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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/utr1t-2316e438/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/utr1t-2316e438/inputs/seq.fa: 1 curr_seq: _GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCUUGACUGCAAGUGCAAAGGUUGAGGAAUCCGCUUCAGACUCAAACGCAGACGAAACAACAACAAGACAGAUAGUCGUAAGAAACACGCCGGAGGAUCACCACGGG 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -437.404413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.404413 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -587.876802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.876802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.876802 (E_RNA) where: Base-Base interactions energy: -284.905 where: short stacking energy: -252.093 Base-Backbone interact. energy: -0.207 local terms energy: -302.765103 where: bonds (distance) C4'-P energy: -68.007 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -40.263 tors. eta vs tors. theta energy: -56.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -536.865439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.865439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.865439 (E_RNA) where: Base-Base interactions energy: -229.599 where: short stacking energy: -223.469 Base-Backbone interact. energy: -0.030 local terms energy: -307.235964 where: bonds (distance) C4'-P energy: -67.958 bonds (distance) P-C4' energy: -70.038 flat angles C4'-P-C4' energy: -57.243 flat angles P-C4'-P energy: -58.603 tors. eta vs tors. theta energy: -53.394 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -526.645789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.645789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.645789 (E_RNA) where: Base-Base interactions energy: -235.970 where: short stacking energy: -185.101 Base-Backbone interact. energy: -0.547 local terms energy: -290.128721 where: bonds (distance) C4'-P energy: -71.609 bonds (distance) P-C4' energy: -69.452 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -39.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -461.583091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.583091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.583091 (E_RNA) where: Base-Base interactions energy: -193.622 where: short stacking energy: -182.330 Base-Backbone interact. energy: 0.205 local terms energy: -268.166398 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -61.076 flat angles C4'-P-C4' energy: -73.022 flat angles P-C4'-P energy: -30.307 tors. eta vs tors. theta energy: -40.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -448.865766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.865766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.865766 (E_RNA) where: Base-Base interactions energy: -191.950 where: short stacking energy: -192.006 Base-Backbone interact. energy: -0.170 local terms energy: -256.746297 where: bonds (distance) C4'-P energy: -51.987 bonds (distance) P-C4' energy: -72.790 flat angles C4'-P-C4' energy: -61.130 flat angles P-C4'-P energy: -36.830 tors. eta vs tors. theta energy: -34.009 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -439.432451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.432451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.432451 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.000 local terms energy: -424.163146 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -91.416 tors. eta vs tors. theta energy: -49.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -439.328274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.328274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.328274 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.000 local terms energy: -424.058969 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -91.416 tors. eta vs tors. theta energy: -49.016 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -439.328275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.328275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.328275 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.000 local terms energy: -424.058969 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -91.416 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -439.328275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.328275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.328275 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.000 local terms energy: -424.058969 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -91.416 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -439.328276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.328276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.328276 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.000 local terms energy: -424.058969 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -91.416 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -649.881357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.881357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.881357 (E_RNA) where: Base-Base interactions energy: -338.248 where: short stacking energy: -278.634 Base-Backbone interact. energy: -0.754 local terms energy: -310.879582 where: bonds (distance) C4'-P energy: -62.894 bonds (distance) P-C4' energy: -65.964 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: -70.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -594.203340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.203340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.203340 (E_RNA) where: Base-Base interactions energy: -300.481 where: short stacking energy: -218.343 Base-Backbone interact. energy: -0.167 local terms energy: -293.555343 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -69.011 flat angles C4'-P-C4' energy: -65.567 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -56.546 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -522.539751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.539751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.539751 (E_RNA) where: Base-Base interactions energy: -246.085 where: short stacking energy: -194.957 Base-Backbone interact. energy: -1.512 local terms energy: -274.942802 where: bonds (distance) C4'-P energy: -63.285 bonds (distance) P-C4' energy: -71.242 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -36.315 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -473.059415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.059415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.059415 (E_RNA) where: Base-Base interactions energy: -193.805 where: short stacking energy: -173.963 Base-Backbone interact. energy: 3.880 local terms energy: -283.133949 where: bonds (distance) C4'-P energy: -58.143 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -77.837 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -40.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -489.535631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.535631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.535631 (E_RNA) where: Base-Base interactions energy: -251.564 where: short stacking energy: -149.728 Base-Backbone interact. energy: 0.544 local terms energy: -238.516182 where: bonds (distance) C4'-P energy: -60.229 bonds (distance) P-C4' energy: -62.777 flat angles C4'-P-C4' energy: -66.941 flat angles P-C4'-P energy: -37.065 tors. eta vs tors. theta energy: -11.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -392.708219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.708219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.708219 (E_RNA) where: Base-Base interactions energy: -161.751 where: short stacking energy: -126.630 Base-Backbone interact. energy: 0.274 local terms energy: -231.231848 where: bonds (distance) C4'-P energy: -65.514 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -46.115 flat angles P-C4'-P energy: -34.820 tors. eta vs tors. theta energy: -18.884 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -392.671911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.671911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.671911 (E_RNA) where: Base-Base interactions energy: -184.501 where: short stacking energy: -137.323 Base-Backbone interact. energy: -2.240 local terms energy: -205.931399 where: bonds (distance) C4'-P energy: -58.922 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -44.487 flat angles P-C4'-P energy: -23.534 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -375.912193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.912193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.912193 (E_RNA) where: Base-Base interactions energy: -170.596 where: short stacking energy: -116.502 Base-Backbone interact. energy: -2.980 local terms energy: -202.336022 where: bonds (distance) C4'-P energy: -58.750 bonds (distance) P-C4' energy: -51.598 flat angles C4'-P-C4' energy: -48.093 flat angles P-C4'-P energy: -31.834 tors. eta vs tors. theta energy: -12.060 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: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -319.160803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.160803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.160803 (E_RNA) where: Base-Base interactions energy: -132.446 where: short stacking energy: -98.067 Base-Backbone interact. energy: -0.090 local terms energy: -186.624886 where: bonds (distance) C4'-P energy: -50.586 bonds (distance) P-C4' energy: -58.134 flat angles C4'-P-C4' energy: -52.805 flat angles P-C4'-P energy: -29.864 tors. eta vs tors. theta energy: 4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -335.276087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.276087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.276087 (E_RNA) where: Base-Base interactions energy: -125.831 where: short stacking energy: -88.260 Base-Backbone interact. energy: 0.490 local terms energy: -209.935863 where: bonds (distance) C4'-P energy: -57.439 bonds (distance) P-C4' energy: -62.339 flat angles C4'-P-C4' energy: -52.263 flat angles P-C4'-P energy: -42.992 tors. eta vs tors. theta energy: 5.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -663.938824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.938824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.938824 (E_RNA) where: Base-Base interactions energy: -349.988 where: short stacking energy: -286.574 Base-Backbone interact. energy: -0.006 local terms energy: -313.944699 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -72.850 flat angles C4'-P-C4' energy: -67.200 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -64.567 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: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -662.770839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.770839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.770839 (E_RNA) where: Base-Base interactions energy: -361.740 where: short stacking energy: -257.749 Base-Backbone interact. energy: 1.594 local terms energy: -302.624426 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -63.956 flat angles C4'-P-C4' energy: -70.747 flat angles P-C4'-P energy: -39.592 tors. eta vs tors. theta energy: -60.722 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: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -578.953437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.953437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.953437 (E_RNA) where: Base-Base interactions energy: -279.445 where: short stacking energy: -197.145 Base-Backbone interact. energy: 1.824 local terms energy: -301.332720 where: bonds (distance) C4'-P energy: -66.351 bonds (distance) P-C4' energy: -59.023 flat angles C4'-P-C4' energy: -70.143 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -58.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -502.291611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.291611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.291611 (E_RNA) where: Base-Base interactions energy: -221.770 where: short stacking energy: -204.251 Base-Backbone interact. energy: -0.575 local terms energy: -279.946212 where: bonds (distance) C4'-P energy: -69.991 bonds (distance) P-C4' energy: -71.873 flat angles C4'-P-C4' energy: -57.859 flat angles P-C4'-P energy: -41.059 tors. eta vs tors. theta energy: -39.165 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: 4 Temperature: 1.100000 Total energy: -532.570245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.570245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.570245 (E_RNA) where: Base-Base interactions energy: -268.779 where: short stacking energy: -164.783 Base-Backbone interact. energy: -0.472 local terms energy: -263.319082 where: bonds (distance) C4'-P energy: -71.961 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -60.524 flat angles P-C4'-P energy: -44.932 tors. eta vs tors. theta energy: -21.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -400.776975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.776975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.776975 (E_RNA) where: Base-Base interactions energy: -172.044 where: short stacking energy: -128.078 Base-Backbone interact. energy: -1.163 local terms energy: -227.570425 where: bonds (distance) C4'-P energy: -62.236 bonds (distance) P-C4' energy: -67.202 flat angles C4'-P-C4' energy: -62.216 flat angles P-C4'-P energy: -34.259 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -490.326309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.326309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.326309 (E_RNA) where: Base-Base interactions energy: -273.082 where: short stacking energy: -165.333 Base-Backbone interact. energy: 0.711 local terms energy: -217.955832 where: bonds (distance) C4'-P energy: -66.244 bonds (distance) P-C4' energy: -49.667 flat angles C4'-P-C4' energy: -44.829 flat angles P-C4'-P energy: -35.095 tors. eta vs tors. theta energy: -22.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -350.231778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.231778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.231778 (E_RNA) where: Base-Base interactions energy: -140.501 where: short stacking energy: -111.394 Base-Backbone interact. energy: 0.255 local terms energy: -209.985657 where: bonds (distance) C4'-P energy: -50.727 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -51.829 flat angles P-C4'-P energy: -37.447 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -293.509815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.509815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.509815 (E_RNA) where: Base-Base interactions energy: -110.668 where: short stacking energy: -86.768 Base-Backbone interact. energy: 3.552 local terms energy: -186.393953 where: bonds (distance) C4'-P energy: -44.940 bonds (distance) P-C4' energy: -67.089 flat angles C4'-P-C4' energy: -44.916 flat angles P-C4'-P energy: -38.361 tors. eta vs tors. theta energy: 8.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -293.888623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.888623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.888623 (E_RNA) where: Base-Base interactions energy: -96.346 where: short stacking energy: -83.298 Base-Backbone interact. energy: -2.946 local terms energy: -194.595793 where: bonds (distance) C4'-P energy: -54.025 bonds (distance) P-C4' energy: -55.514 flat angles C4'-P-C4' energy: -48.307 flat angles P-C4'-P energy: -36.158 tors. eta vs tors. theta energy: -0.592 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: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -676.339494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.339494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.339494 (E_RNA) where: Base-Base interactions energy: -358.055 where: short stacking energy: -283.248 Base-Backbone interact. energy: -0.803 local terms energy: -317.481331 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -76.331 flat angles C4'-P-C4' energy: -68.696 flat angles P-C4'-P energy: -43.980 tors. eta vs tors. theta energy: -70.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -702.076381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.076381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.076381 (E_RNA) where: Base-Base interactions energy: -376.462 where: short stacking energy: -275.168 Base-Backbone interact. energy: -0.708 local terms energy: -324.906182 where: bonds (distance) C4'-P energy: -64.079 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -49.659 tors. eta vs tors. theta energy: -75.325 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: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -546.583580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.583580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.583580 (E_RNA) where: Base-Base interactions energy: -261.182 where: short stacking energy: -197.311 Base-Backbone interact. energy: -1.001 local terms energy: -284.399957 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -75.991 flat angles C4'-P-C4' energy: -60.978 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -41.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -560.135750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.135750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.135750 (E_RNA) where: Base-Base interactions energy: -289.659 where: short stacking energy: -156.338 Base-Backbone interact. energy: -0.760 local terms energy: -269.716803 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -60.260 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -30.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -576.245802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.245802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.245802 (E_RNA) where: Base-Base interactions energy: -320.702 where: short stacking energy: -170.371 Base-Backbone interact. energy: 1.319 local terms energy: -256.863222 where: bonds (distance) C4'-P energy: -66.645 bonds (distance) P-C4' energy: -69.211 flat angles C4'-P-C4' energy: -65.369 flat angles P-C4'-P energy: -35.066 tors. eta vs tors. theta energy: -20.573 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: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -527.312761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.312761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.312761 (E_RNA) where: Base-Base interactions energy: -282.643 where: short stacking energy: -166.541 Base-Backbone interact. energy: 1.420 local terms energy: -246.089683 where: bonds (distance) C4'-P energy: -59.072 bonds (distance) P-C4' energy: -58.322 flat angles C4'-P-C4' energy: -69.089 flat angles P-C4'-P energy: -23.463 tors. eta vs tors. theta energy: -36.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -353.243513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.243513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.243513 (E_RNA) where: Base-Base interactions energy: -153.308 where: short stacking energy: -100.110 Base-Backbone interact. energy: 1.052 local terms energy: -200.987036 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -59.796 flat angles C4'-P-C4' energy: -61.863 flat angles P-C4'-P energy: -19.089 tors. eta vs tors. theta energy: -1.863 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -346.952910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.952910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.952910 (E_RNA) where: Base-Base interactions energy: -135.203 where: short stacking energy: -92.493 Base-Backbone interact. energy: 1.327 local terms energy: -213.077781 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -64.267 flat angles C4'-P-C4' energy: -52.285 flat angles P-C4'-P energy: -29.546 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -288.570692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.570692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.570692 (E_RNA) where: Base-Base interactions energy: -104.495 where: short stacking energy: -89.247 Base-Backbone interact. energy: -0.681 local terms energy: -183.394090 where: bonds (distance) C4'-P energy: -50.906 bonds (distance) P-C4' energy: -59.910 flat angles C4'-P-C4' energy: -46.433 flat angles P-C4'-P energy: -34.686 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -281.141640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.141640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.141640 (E_RNA) where: Base-Base interactions energy: -112.875 where: short stacking energy: -91.067 Base-Backbone interact. energy: 4.171 local terms energy: -172.437472 where: bonds (distance) C4'-P energy: -47.284 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -46.031 flat angles P-C4'-P energy: -19.920 tors. eta vs tors. theta energy: 5.763 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: 6 Temperature: 0.900000 Total energy: -781.263713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.263713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.263713 (E_RNA) where: Base-Base interactions energy: -453.781 where: short stacking energy: -280.690 Base-Backbone interact. energy: -0.945 local terms energy: -326.537880 where: bonds (distance) C4'-P energy: -66.460 bonds (distance) P-C4' energy: -74.502 flat angles C4'-P-C4' energy: -71.817 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -70.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -656.131656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.131656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.131656 (E_RNA) where: Base-Base interactions energy: -330.496 where: short stacking energy: -257.218 Base-Backbone interact. energy: -0.444 local terms energy: -325.191227 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -66.276 flat angles C4'-P-C4' energy: -77.017 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -68.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -584.794415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.794415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.794415 (E_RNA) where: Base-Base interactions energy: -302.410 where: short stacking energy: -192.275 Base-Backbone interact. energy: -2.837 local terms energy: -279.547075 where: bonds (distance) C4'-P energy: -70.568 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -59.175 flat angles P-C4'-P energy: -38.045 tors. eta vs tors. theta energy: -39.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -579.842500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.842500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.842500 (E_RNA) where: Base-Base interactions energy: -310.737 where: short stacking energy: -183.989 Base-Backbone interact. energy: -1.744 local terms energy: -267.362077 where: bonds (distance) C4'-P energy: -64.619 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -56.906 flat angles P-C4'-P energy: -40.402 tors. eta vs tors. theta energy: -43.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -627.836666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.836666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.836666 (E_RNA) where: Base-Base interactions energy: -351.003 where: short stacking energy: -176.170 Base-Backbone interact. energy: -1.840 local terms energy: -274.993477 where: bonds (distance) C4'-P energy: -59.153 bonds (distance) P-C4' energy: -67.316 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -40.982 tors. eta vs tors. theta energy: -39.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -521.944702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.944702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.944702 (E_RNA) where: Base-Base interactions energy: -259.233 where: short stacking energy: -162.731 Base-Backbone interact. energy: -0.838 local terms energy: -261.873012 where: bonds (distance) C4'-P energy: -63.325 bonds (distance) P-C4' energy: -72.147 flat angles C4'-P-C4' energy: -57.436 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -20.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -477.587358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.587358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.587358 (E_RNA) where: Base-Base interactions energy: -248.276 where: short stacking energy: -137.635 Base-Backbone interact. energy: -0.349 local terms energy: -228.962068 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -52.255 flat angles P-C4'-P energy: -38.352 tors. eta vs tors. theta energy: -9.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -329.109140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.109140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.109140 (E_RNA) where: Base-Base interactions energy: -110.793 where: short stacking energy: -106.811 Base-Backbone interact. energy: 1.310 local terms energy: -219.626972 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -69.012 flat angles C4'-P-C4' energy: -57.622 flat angles P-C4'-P energy: -25.807 tors. eta vs tors. theta energy: -12.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -298.348687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.348687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.348687 (E_RNA) where: Base-Base interactions energy: -115.933 where: short stacking energy: -111.760 Base-Backbone interact. energy: -0.967 local terms energy: -181.449309 where: bonds (distance) C4'-P energy: -43.336 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -48.885 flat angles P-C4'-P energy: -22.526 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -276.886010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.886010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.886010 (E_RNA) where: Base-Base interactions energy: -116.405 where: short stacking energy: -78.024 Base-Backbone interact. energy: -0.101 local terms energy: -160.379696 where: bonds (distance) C4'-P energy: -42.593 bonds (distance) P-C4' energy: -68.465 flat angles C4'-P-C4' energy: -38.921 flat angles P-C4'-P energy: -20.992 tors. eta vs tors. theta energy: 10.592 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: 7 Temperature: 0.900000 Total energy: -808.169899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.169899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.169899 (E_RNA) where: Base-Base interactions energy: -488.433 where: short stacking energy: -269.797 Base-Backbone interact. energy: -1.598 local terms energy: -318.138620 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -65.110 flat angles C4'-P-C4' energy: -70.613 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -65.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -645.881065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.881065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.881065 (E_RNA) where: Base-Base interactions energy: -334.075 where: short stacking energy: -185.550 Base-Backbone interact. energy: -1.586 local terms energy: -310.219842 where: bonds (distance) C4'-P energy: -66.315 bonds (distance) P-C4' energy: -70.408 flat angles C4'-P-C4' energy: -69.470 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: -50.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -652.690309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.690309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.690309 (E_RNA) where: Base-Base interactions energy: -349.447 where: short stacking energy: -202.409 Base-Backbone interact. energy: -2.718 local terms energy: -300.524985 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -49.628 tors. eta vs tors. theta energy: -44.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -713.549009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.549009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.549009 (E_RNA) where: Base-Base interactions energy: -435.441 where: short stacking energy: -205.941 Base-Backbone interact. energy: 1.068 local terms energy: -279.176611 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -68.451 flat angles C4'-P-C4' energy: -69.195 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -44.728 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -572.253648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.253648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.253648 (E_RNA) where: Base-Base interactions energy: -309.514 where: short stacking energy: -177.049 Base-Backbone interact. energy: -1.335 local terms energy: -261.404052 where: bonds (distance) C4'-P energy: -61.735 bonds (distance) P-C4' energy: -74.017 flat angles C4'-P-C4' energy: -59.301 flat angles P-C4'-P energy: -36.169 tors. eta vs tors. theta energy: -30.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -524.307883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.307883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.307883 (E_RNA) where: Base-Base interactions energy: -275.214 where: short stacking energy: -178.138 Base-Backbone interact. energy: -0.548 local terms energy: -248.546149 where: bonds (distance) C4'-P energy: -57.667 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -57.490 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: -34.864 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: 7 Temperature: 1.200000 Total energy: -439.729583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.729583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.729583 (E_RNA) where: Base-Base interactions energy: -227.865 where: short stacking energy: -121.435 Base-Backbone interact. energy: 0.242 local terms energy: -212.107052 where: bonds (distance) C4'-P energy: -48.102 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -60.648 flat angles P-C4'-P energy: -28.691 tors. eta vs tors. theta energy: -11.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -356.138405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.138405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.138405 (E_RNA) where: Base-Base interactions energy: -148.209 where: short stacking energy: -115.743 Base-Backbone interact. energy: -0.332 local terms energy: -207.596585 where: bonds (distance) C4'-P energy: -54.877 bonds (distance) P-C4' energy: -69.393 flat angles C4'-P-C4' energy: -50.345 flat angles P-C4'-P energy: -36.076 tors. eta vs tors. theta energy: 3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -343.664934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.664934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.664934 (E_RNA) where: Base-Base interactions energy: -154.295 where: short stacking energy: -114.483 Base-Backbone interact. energy: 0.763 local terms energy: -190.133142 where: bonds (distance) C4'-P energy: -56.369 bonds (distance) P-C4' energy: -56.297 flat angles C4'-P-C4' energy: -55.713 flat angles P-C4'-P energy: -23.003 tors. eta vs tors. theta energy: 1.249 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: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -373.910383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.910383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.910383 (E_RNA) where: Base-Base interactions energy: -181.517 where: short stacking energy: -92.030 Base-Backbone interact. energy: 1.180 local terms energy: -193.573004 where: bonds (distance) C4'-P energy: -57.430 bonds (distance) P-C4' energy: -67.352 flat angles C4'-P-C4' energy: -52.258 flat angles P-C4'-P energy: -22.993 tors. eta vs tors. theta energy: 6.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -831.275572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.275572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.275572 (E_RNA) where: Base-Base interactions energy: -509.801 where: short stacking energy: -282.408 Base-Backbone interact. energy: 0.046 local terms energy: -321.521234 where: bonds (distance) C4'-P energy: -72.153 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -75.219 flat angles P-C4'-P energy: -34.892 tors. eta vs tors. theta energy: -77.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -659.568659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.568659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.568659 (E_RNA) where: Base-Base interactions energy: -374.500 where: short stacking energy: -210.805 Base-Backbone interact. energy: -0.998 local terms energy: -284.071029 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -73.529 flat angles C4'-P-C4' energy: -69.514 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -33.162 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: 8 Temperature: 1.000000 Total energy: -761.708094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.708094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.708094 (E_RNA) where: Base-Base interactions energy: -459.286 where: short stacking energy: -231.276 Base-Backbone interact. energy: 2.654 local terms energy: -305.076231 where: bonds (distance) C4'-P energy: -71.202 bonds (distance) P-C4' energy: -79.497 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -37.953 tors. eta vs tors. theta energy: -52.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -599.481662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.481662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.481662 (E_RNA) where: Base-Base interactions energy: -339.133 where: short stacking energy: -179.520 Base-Backbone interact. energy: 1.902 local terms energy: -262.250866 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -67.239 flat angles C4'-P-C4' energy: -62.523 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -29.722 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: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -531.925825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.925825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.925825 (E_RNA) where: Base-Base interactions energy: -261.825 where: short stacking energy: -149.762 Base-Backbone interact. energy: -1.331 local terms energy: -268.770375 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -68.222 flat angles C4'-P-C4' energy: -66.137 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -25.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -488.924678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.924678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.924678 (E_RNA) where: Base-Base interactions energy: -237.794 where: short stacking energy: -168.094 Base-Backbone interact. energy: 3.027 local terms energy: -254.157517 where: bonds (distance) C4'-P energy: -48.266 bonds (distance) P-C4' energy: -75.021 flat angles C4'-P-C4' energy: -60.817 flat angles P-C4'-P energy: -37.664 tors. eta vs tors. theta energy: -32.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -513.304339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.304339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.304339 (E_RNA) where: Base-Base interactions energy: -298.444 where: short stacking energy: -140.369 Base-Backbone interact. energy: 4.108 local terms energy: -218.968295 where: bonds (distance) C4'-P energy: -60.388 bonds (distance) P-C4' energy: -48.857 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -39.216 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -369.898479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.898479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.898479 (E_RNA) where: Base-Base interactions energy: -156.583 where: short stacking energy: -110.428 Base-Backbone interact. energy: -1.480 local terms energy: -211.835032 where: bonds (distance) C4'-P energy: -56.553 bonds (distance) P-C4' energy: -64.788 flat angles C4'-P-C4' energy: -51.529 flat angles P-C4'-P energy: -34.189 tors. eta vs tors. theta energy: -4.776 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -466.591246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.591246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.591246 (E_RNA) where: Base-Base interactions energy: -229.264 where: short stacking energy: -129.978 Base-Backbone interact. energy: 0.364 local terms energy: -237.691241 where: bonds (distance) C4'-P energy: -48.667 bonds (distance) P-C4' energy: -59.638 flat angles C4'-P-C4' energy: -57.522 flat angles P-C4'-P energy: -47.797 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: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -268.373745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.373745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.373745 (E_RNA) where: Base-Base interactions energy: -71.904 where: short stacking energy: -70.099 Base-Backbone interact. energy: 1.271 local terms energy: -197.741061 where: bonds (distance) C4'-P energy: -61.308 bonds (distance) P-C4' energy: -58.662 flat angles C4'-P-C4' energy: -46.777 flat angles P-C4'-P energy: -26.403 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -836.966180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.966180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.966180 (E_RNA) where: Base-Base interactions energy: -521.759 where: short stacking energy: -297.460 Base-Backbone interact. energy: -2.301 local terms energy: -312.906638 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -68.145 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: -70.149 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: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -823.725758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.725758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.725758 (E_RNA) where: Base-Base interactions energy: -493.176 where: short stacking energy: -256.182 Base-Backbone interact. energy: -0.909 local terms energy: -329.641447 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -78.114 flat angles C4'-P-C4' energy: -69.673 flat angles P-C4'-P energy: -51.518 tors. eta vs tors. theta energy: -62.234 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -648.763646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.763646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.763646 (E_RNA) where: Base-Base interactions energy: -372.439 where: short stacking energy: -205.623 Base-Backbone interact. energy: -2.298 local terms energy: -274.026972 where: bonds (distance) C4'-P energy: -64.750 bonds (distance) P-C4' energy: -65.976 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -34.929 tors. eta vs tors. theta energy: -38.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -602.230640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.230640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.230640 (E_RNA) where: Base-Base interactions energy: -335.884 where: short stacking energy: -198.864 Base-Backbone interact. energy: -2.944 local terms energy: -263.402838 where: bonds (distance) C4'-P energy: -66.245 bonds (distance) P-C4' energy: -71.483 flat angles C4'-P-C4' energy: -56.135 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -27.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -523.239112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.239112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.239112 (E_RNA) where: Base-Base interactions energy: -285.100 where: short stacking energy: -135.663 Base-Backbone interact. energy: -3.225 local terms energy: -234.914474 where: bonds (distance) C4'-P energy: -64.698 bonds (distance) P-C4' energy: -65.013 flat angles C4'-P-C4' energy: -59.631 flat angles P-C4'-P energy: -34.313 tors. eta vs tors. theta energy: -11.260 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: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -541.050762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.050762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.050762 (E_RNA) where: Base-Base interactions energy: -302.917 where: short stacking energy: -173.418 Base-Backbone interact. energy: 7.190 local terms energy: -245.324441 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -69.407 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -23.939 tors. eta vs tors. theta energy: -31.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -451.669986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.669986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.669986 (E_RNA) where: Base-Base interactions energy: -219.954 where: short stacking energy: -136.145 Base-Backbone interact. energy: -0.009 local terms energy: -231.707222 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -69.979 flat angles C4'-P-C4' energy: -65.464 flat angles P-C4'-P energy: -34.065 tors. eta vs tors. theta energy: -14.209 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: 9 Temperature: 1.250000 Total energy: -509.970461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.970461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.970461 (E_RNA) where: Base-Base interactions energy: -267.467 where: short stacking energy: -148.939 Base-Backbone interact. energy: -0.792 local terms energy: -241.711336 where: bonds (distance) C4'-P energy: -59.091 bonds (distance) P-C4' energy: -61.633 flat angles C4'-P-C4' energy: -57.356 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -22.708 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: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -384.654224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.654224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.654224 (E_RNA) where: Base-Base interactions energy: -179.843 where: short stacking energy: -122.508 Base-Backbone interact. energy: -0.796 local terms energy: -204.015168 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -56.834 flat angles C4'-P-C4' energy: -41.588 flat angles P-C4'-P energy: -35.642 tors. eta vs tors. theta energy: -17.376 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: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -288.093182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.093182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.093182 (E_RNA) where: Base-Base interactions energy: -111.320 where: short stacking energy: -80.567 Base-Backbone interact. energy: 4.510 local terms energy: -181.282758 where: bonds (distance) C4'-P energy: -70.154 bonds (distance) P-C4' energy: -58.424 flat angles C4'-P-C4' energy: -48.330 flat angles P-C4'-P energy: -17.980 tors. eta vs tors. theta energy: 13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -863.489882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.489882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.489882 (E_RNA) where: Base-Base interactions energy: -529.609 where: short stacking energy: -277.350 Base-Backbone interact. energy: -2.699 local terms energy: -331.181640 where: bonds (distance) C4'-P energy: -60.468 bonds (distance) P-C4' energy: -75.223 flat angles C4'-P-C4' energy: -77.981 flat angles P-C4'-P energy: -52.110 tors. eta vs tors. theta energy: -65.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -785.567641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.567641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.567641 (E_RNA) where: Base-Base interactions energy: -464.534 where: short stacking energy: -263.898 Base-Backbone interact. energy: -2.118 local terms energy: -318.915328 where: bonds (distance) C4'-P energy: -61.689 bonds (distance) P-C4' energy: -72.184 flat angles C4'-P-C4' energy: -76.982 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -68.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -613.041076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.041076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.041076 (E_RNA) where: Base-Base interactions energy: -352.419 where: short stacking energy: -218.634 Base-Backbone interact. energy: 0.570 local terms energy: -261.192643 where: bonds (distance) C4'-P energy: -53.625 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -69.173 flat angles P-C4'-P energy: -47.533 tors. eta vs tors. theta energy: -30.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -584.514519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.514519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.514519 (E_RNA) where: Base-Base interactions energy: -332.148 where: short stacking energy: -198.860 Base-Backbone interact. energy: 4.381 local terms energy: -256.747825 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -68.623 flat angles C4'-P-C4' energy: -61.076 flat angles P-C4'-P energy: -35.886 tors. eta vs tors. theta energy: -28.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -620.553734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.553734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.553734 (E_RNA) where: Base-Base interactions energy: -343.229 where: short stacking energy: -184.199 Base-Backbone interact. energy: -2.608 local terms energy: -274.716805 where: bonds (distance) C4'-P energy: -71.916 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -39.084 tors. eta vs tors. theta energy: -38.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -495.265459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.265459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.265459 (E_RNA) where: Base-Base interactions energy: -270.474 where: short stacking energy: -123.798 Base-Backbone interact. energy: 2.363 local terms energy: -227.154690 where: bonds (distance) C4'-P energy: -57.664 bonds (distance) P-C4' energy: -70.264 flat angles C4'-P-C4' energy: -54.286 flat angles P-C4'-P energy: -31.867 tors. eta vs tors. theta energy: -13.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -595.883286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.883286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.883286 (E_RNA) where: Base-Base interactions energy: -357.962 where: short stacking energy: -175.071 Base-Backbone interact. energy: -0.800 local terms energy: -237.121780 where: bonds (distance) C4'-P energy: -59.945 bonds (distance) P-C4' energy: -57.767 flat angles C4'-P-C4' energy: -64.310 flat angles P-C4'-P energy: -27.624 tors. eta vs tors. theta energy: -27.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -395.845254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.845254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.845254 (E_RNA) where: Base-Base interactions energy: -203.570 where: short stacking energy: -140.295 Base-Backbone interact. energy: -2.342 local terms energy: -189.933667 where: bonds (distance) C4'-P energy: -45.250 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -44.502 flat angles P-C4'-P energy: -35.907 tors. eta vs tors. theta energy: -13.414 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: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -309.494318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.494318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.494318 (E_RNA) where: Base-Base interactions energy: -98.499 where: short stacking energy: -90.140 Base-Backbone interact. energy: -1.283 local terms energy: -209.711695 where: bonds (distance) C4'-P energy: -66.078 bonds (distance) P-C4' energy: -55.995 flat angles C4'-P-C4' energy: -60.515 flat angles P-C4'-P energy: -22.746 tors. eta vs tors. theta energy: -4.376 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: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -356.907026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.907026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.907026 (E_RNA) where: Base-Base interactions energy: -160.151 where: short stacking energy: -120.328 Base-Backbone interact. energy: -1.075 local terms energy: -195.680416 where: bonds (distance) C4'-P energy: -45.146 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -51.316 flat angles P-C4'-P energy: -25.216 tors. eta vs tors. theta energy: -11.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -852.279102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.279102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.279102 (E_RNA) where: Base-Base interactions energy: -541.466 where: short stacking energy: -271.380 Base-Backbone interact. energy: -1.654 local terms energy: -309.159922 where: bonds (distance) C4'-P energy: -64.331 bonds (distance) P-C4' energy: -80.085 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -34.167 tors. eta vs tors. theta energy: -52.567 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: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -777.521345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.521345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.521345 (E_RNA) where: Base-Base interactions energy: -469.955 where: short stacking energy: -278.501 Base-Backbone interact. energy: -2.591 local terms energy: -304.975491 where: bonds (distance) C4'-P energy: -54.861 bonds (distance) P-C4' energy: -64.457 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -49.350 tors. eta vs tors. theta energy: -71.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -661.087777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.087777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.087777 (E_RNA) where: Base-Base interactions energy: -366.810 where: short stacking energy: -236.156 Base-Backbone interact. energy: 0.685 local terms energy: -294.963383 where: bonds (distance) C4'-P energy: -60.806 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -41.211 tors. eta vs tors. theta energy: -55.447 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: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -755.664937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.664937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.664937 (E_RNA) where: Base-Base interactions energy: -455.446 where: short stacking energy: -232.238 Base-Backbone interact. energy: 0.444 local terms energy: -300.663114 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -67.721 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -57.539 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: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -582.451745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.451745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.451745 (E_RNA) where: Base-Base interactions energy: -330.072 where: short stacking energy: -183.603 Base-Backbone interact. energy: -2.032 local terms energy: -250.347400 where: bonds (distance) C4'-P energy: -55.650 bonds (distance) P-C4' energy: -60.216 flat angles C4'-P-C4' energy: -63.344 flat angles P-C4'-P energy: -29.710 tors. eta vs tors. theta energy: -41.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -544.170565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.170565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.170565 (E_RNA) where: Base-Base interactions energy: -283.529 where: short stacking energy: -157.369 Base-Backbone interact. energy: -2.007 local terms energy: -258.634808 where: bonds (distance) C4'-P energy: -54.553 bonds (distance) P-C4' energy: -67.556 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -37.229 tors. eta vs tors. theta energy: -37.613 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: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -567.065731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.065731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.065731 (E_RNA) where: Base-Base interactions energy: -316.628 where: short stacking energy: -150.665 Base-Backbone interact. energy: -2.084 local terms energy: -248.353717 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -63.631 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -48.460 tors. eta vs tors. theta energy: -13.137 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -450.539421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.539421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.539421 (E_RNA) where: Base-Base interactions energy: -214.122 where: short stacking energy: -136.090 Base-Backbone interact. energy: 0.202 local terms energy: -236.619495 where: bonds (distance) C4'-P energy: -63.392 bonds (distance) P-C4' energy: -63.206 flat angles C4'-P-C4' energy: -62.943 flat angles P-C4'-P energy: -26.373 tors. eta vs tors. theta energy: -20.705 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: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -320.523257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.523257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.523257 (E_RNA) where: Base-Base interactions energy: -132.219 where: short stacking energy: -119.275 Base-Backbone interact. energy: 1.152 local terms energy: -189.456258 where: bonds (distance) C4'-P energy: -56.268 bonds (distance) P-C4' energy: -51.023 flat angles C4'-P-C4' energy: -52.382 flat angles P-C4'-P energy: -16.145 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -275.598297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.598297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.598297 (E_RNA) where: Base-Base interactions energy: -99.090 where: short stacking energy: -78.529 Base-Backbone interact. energy: -1.047 local terms energy: -175.460728 where: bonds (distance) C4'-P energy: -45.453 bonds (distance) P-C4' energy: -70.414 flat angles C4'-P-C4' energy: -51.825 flat angles P-C4'-P energy: -24.105 tors. eta vs tors. theta energy: 16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -874.755566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.755566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.755566 (E_RNA) where: Base-Base interactions energy: -551.960 where: short stacking energy: -264.965 Base-Backbone interact. energy: -1.972 local terms energy: -320.823472 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -63.492 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -69.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -766.096861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.096861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.096861 (E_RNA) where: Base-Base interactions energy: -437.090 where: short stacking energy: -239.806 Base-Backbone interact. energy: -2.019 local terms energy: -326.988032 where: bonds (distance) C4'-P energy: -69.904 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -73.436 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -62.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -807.250442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.250442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.250442 (E_RNA) where: Base-Base interactions energy: -506.943 where: short stacking energy: -246.076 Base-Backbone interact. energy: 0.149 local terms energy: -300.455867 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -69.453 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -57.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -654.188285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.188285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.188285 (E_RNA) where: Base-Base interactions energy: -363.089 where: short stacking energy: -212.938 Base-Backbone interact. energy: -1.933 local terms energy: -289.166068 where: bonds (distance) C4'-P energy: -68.536 bonds (distance) P-C4' energy: -67.917 flat angles C4'-P-C4' energy: -58.290 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -53.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -582.530899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.530899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.530899 (E_RNA) where: Base-Base interactions energy: -339.839 where: short stacking energy: -176.695 Base-Backbone interact. energy: -0.608 local terms energy: -242.083720 where: bonds (distance) C4'-P energy: -45.894 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -58.605 flat angles P-C4'-P energy: -27.199 tors. eta vs tors. theta energy: -40.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -473.601823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.601823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.601823 (E_RNA) where: Base-Base interactions energy: -241.703 where: short stacking energy: -157.518 Base-Backbone interact. energy: -2.005 local terms energy: -229.893657 where: bonds (distance) C4'-P energy: -51.816 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -49.860 flat angles P-C4'-P energy: -31.416 tors. eta vs tors. theta energy: -27.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -603.875324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.875324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.875324 (E_RNA) where: Base-Base interactions energy: -359.801 where: short stacking energy: -182.484 Base-Backbone interact. energy: -0.595 local terms energy: -243.479503 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -62.408 flat angles C4'-P-C4' energy: -55.078 flat angles P-C4'-P energy: -25.858 tors. eta vs tors. theta energy: -34.577 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: 12 Temperature: 1.250000 Total energy: -440.140479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.140479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.140479 (E_RNA) where: Base-Base interactions energy: -229.278 where: short stacking energy: -160.276 Base-Backbone interact. energy: 3.166 local terms energy: -214.028587 where: bonds (distance) C4'-P energy: -58.686 bonds (distance) P-C4' energy: -57.537 flat angles C4'-P-C4' energy: -51.231 flat angles P-C4'-P energy: -26.614 tors. eta vs tors. theta energy: -19.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -339.088428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.088428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.088428 (E_RNA) where: Base-Base interactions energy: -145.507 where: short stacking energy: -98.619 Base-Backbone interact. energy: 1.020 local terms energy: -194.601546 where: bonds (distance) C4'-P energy: -54.865 bonds (distance) P-C4' energy: -57.876 flat angles C4'-P-C4' energy: -51.533 flat angles P-C4'-P energy: -20.351 tors. eta vs tors. theta energy: -9.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -284.392708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.392708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.392708 (E_RNA) where: Base-Base interactions energy: -89.271 where: short stacking energy: -76.540 Base-Backbone interact. energy: 0.599 local terms energy: -195.720747 where: bonds (distance) C4'-P energy: -56.515 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -57.096 flat angles P-C4'-P energy: -24.452 tors. eta vs tors. theta energy: 5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -870.322773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.322773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.322773 (E_RNA) where: Base-Base interactions energy: -537.913 where: short stacking energy: -276.411 Base-Backbone interact. energy: -1.715 local terms energy: -330.694338 where: bonds (distance) C4'-P energy: -69.260 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -72.415 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -68.984 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: 13 Temperature: 0.950000 Total energy: -875.224988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.224988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.224988 (E_RNA) where: Base-Base interactions energy: -539.725 where: short stacking energy: -262.376 Base-Backbone interact. energy: 1.871 local terms energy: -337.371166 where: bonds (distance) C4'-P energy: -61.947 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -74.266 flat angles P-C4'-P energy: -48.419 tors. eta vs tors. theta energy: -80.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -747.229854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.229854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.229854 (E_RNA) where: Base-Base interactions energy: -437.493 where: short stacking energy: -247.453 Base-Backbone interact. energy: -0.003 local terms energy: -309.734387 where: bonds (distance) C4'-P energy: -65.997 bonds (distance) P-C4' energy: -72.496 flat angles C4'-P-C4' energy: -70.576 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -650.198683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.198683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.198683 (E_RNA) where: Base-Base interactions energy: -379.723 where: short stacking energy: -207.132 Base-Backbone interact. energy: 2.680 local terms energy: -273.155301 where: bonds (distance) C4'-P energy: -58.126 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -57.311 flat angles P-C4'-P energy: -40.679 tors. eta vs tors. theta energy: -45.617 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: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -580.058970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.058970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.058970 (E_RNA) where: Base-Base interactions energy: -354.087 where: short stacking energy: -163.705 Base-Backbone interact. energy: -1.138 local terms energy: -224.833780 where: bonds (distance) C4'-P energy: -48.642 bonds (distance) P-C4' energy: -74.254 flat angles C4'-P-C4' energy: -52.293 flat angles P-C4'-P energy: -36.563 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: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -635.281200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.281200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.281200 (E_RNA) where: Base-Base interactions energy: -369.184 where: short stacking energy: -185.234 Base-Backbone interact. energy: -0.542 local terms energy: -265.555056 where: bonds (distance) C4'-P energy: -62.082 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -60.748 flat angles P-C4'-P energy: -42.433 tors. eta vs tors. theta energy: -38.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -447.482000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.482000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.482000 (E_RNA) where: Base-Base interactions energy: -241.802 where: short stacking energy: -147.093 Base-Backbone interact. energy: 0.430 local terms energy: -206.109549 where: bonds (distance) C4'-P energy: -58.891 bonds (distance) P-C4' energy: -54.156 flat angles C4'-P-C4' energy: -43.778 flat angles P-C4'-P energy: -35.883 tors. eta vs tors. theta energy: -13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -415.922007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.922007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.922007 (E_RNA) where: Base-Base interactions energy: -210.250 where: short stacking energy: -135.542 Base-Backbone interact. energy: -0.271 local terms energy: -205.400840 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -55.158 flat angles C4'-P-C4' energy: -46.671 flat angles P-C4'-P energy: -26.983 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -300.565514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.565514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.565514 (E_RNA) where: Base-Base interactions energy: -118.247 where: short stacking energy: -95.756 Base-Backbone interact. energy: 0.103 local terms energy: -182.422166 where: bonds (distance) C4'-P energy: -53.059 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -60.907 flat angles P-C4'-P energy: -27.021 tors. eta vs tors. theta energy: 19.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -278.683307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.683307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.683307 (E_RNA) where: Base-Base interactions energy: -78.889 where: short stacking energy: -72.207 Base-Backbone interact. energy: -2.608 local terms energy: -197.185593 where: bonds (distance) C4'-P energy: -49.553 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -63.070 flat angles P-C4'-P energy: -27.460 tors. eta vs tors. theta energy: 9.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -957.601546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.601546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.601546 (E_RNA) where: Base-Base interactions energy: -625.709 where: short stacking energy: -270.104 Base-Backbone interact. energy: -1.414 local terms energy: -330.478961 where: bonds (distance) C4'-P energy: -71.467 bonds (distance) P-C4' energy: -72.272 flat angles C4'-P-C4' energy: -73.888 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -64.005 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: 14 Temperature: 0.950000 Total energy: -825.829829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.829829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.829829 (E_RNA) where: Base-Base interactions energy: -521.541 where: short stacking energy: -235.225 Base-Backbone interact. energy: -1.470 local terms energy: -302.819128 where: bonds (distance) C4'-P energy: -68.675 bonds (distance) P-C4' energy: -67.685 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -38.384 tors. eta vs tors. theta energy: -55.143 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -689.970391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.970391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.970391 (E_RNA) where: Base-Base interactions energy: -402.979 where: short stacking energy: -204.521 Base-Backbone interact. energy: -1.261 local terms energy: -285.730441 where: bonds (distance) C4'-P energy: -57.911 bonds (distance) P-C4' energy: -68.780 flat angles C4'-P-C4' energy: -60.988 flat angles P-C4'-P energy: -40.802 tors. eta vs tors. theta energy: -57.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -678.832480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.832480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.832480 (E_RNA) where: Base-Base interactions energy: -401.012 where: short stacking energy: -219.740 Base-Backbone interact. energy: -1.267 local terms energy: -276.553332 where: bonds (distance) C4'-P energy: -65.010 bonds (distance) P-C4' energy: -62.104 flat angles C4'-P-C4' energy: -63.146 flat angles P-C4'-P energy: -33.905 tors. eta vs tors. theta energy: -52.389 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: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -657.369821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.369821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.369821 (E_RNA) where: Base-Base interactions energy: -396.972 where: short stacking energy: -199.776 Base-Backbone interact. energy: 0.471 local terms energy: -260.868633 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -69.035 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -37.883 tors. eta vs tors. theta energy: -27.227 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: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -578.787688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.787688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.787688 (E_RNA) where: Base-Base interactions energy: -349.391 where: short stacking energy: -166.588 Base-Backbone interact. energy: -0.871 local terms energy: -228.525873 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -60.047 flat angles C4'-P-C4' energy: -47.275 flat angles P-C4'-P energy: -34.505 tors. eta vs tors. theta energy: -27.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -479.626362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.626362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.626362 (E_RNA) where: Base-Base interactions energy: -225.037 where: short stacking energy: -144.395 Base-Backbone interact. energy: -0.820 local terms energy: -253.770105 where: bonds (distance) C4'-P energy: -57.429 bonds (distance) P-C4' energy: -64.265 flat angles C4'-P-C4' energy: -63.955 flat angles P-C4'-P energy: -44.070 tors. eta vs tors. theta energy: -24.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -387.935408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.935408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.935408 (E_RNA) where: Base-Base interactions energy: -173.394 where: short stacking energy: -114.289 Base-Backbone interact. energy: 1.335 local terms energy: -215.876062 where: bonds (distance) C4'-P energy: -69.286 bonds (distance) P-C4' energy: -59.498 flat angles C4'-P-C4' energy: -42.651 flat angles P-C4'-P energy: -40.681 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -295.890097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.890097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.890097 (E_RNA) where: Base-Base interactions energy: -103.274 where: short stacking energy: -90.929 Base-Backbone interact. energy: -1.500 local terms energy: -191.116102 where: bonds (distance) C4'-P energy: -48.230 bonds (distance) P-C4' energy: -68.829 flat angles C4'-P-C4' energy: -47.147 flat angles P-C4'-P energy: -23.776 tors. eta vs tors. theta energy: -3.133 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: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -295.885513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.885513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.885513 (E_RNA) where: Base-Base interactions energy: -134.953 where: short stacking energy: -97.484 Base-Backbone interact. energy: -0.782 local terms energy: -160.150890 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -63.169 flat angles C4'-P-C4' energy: -41.271 flat angles P-C4'-P energy: -12.062 tors. eta vs tors. theta energy: 11.317 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: 1, replica: 10 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -935.374970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.374970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.374970 (E_RNA) where: Base-Base interactions energy: -597.835 where: short stacking energy: -287.622 Base-Backbone interact. energy: 0.476 local terms energy: -338.015869 where: bonds (distance) C4'-P energy: -72.504 bonds (distance) P-C4' energy: -68.880 flat angles C4'-P-C4' energy: -76.484 flat angles P-C4'-P energy: -44.416 tors. eta vs tors. theta energy: -75.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -842.044207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.044207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.044207 (E_RNA) where: Base-Base interactions energy: -521.650 where: short stacking energy: -250.036 Base-Backbone interact. energy: -3.532 local terms energy: -316.862308 where: bonds (distance) C4'-P energy: -68.127 bonds (distance) P-C4' energy: -74.575 flat angles C4'-P-C4' energy: -72.585 flat angles P-C4'-P energy: -41.598 tors. eta vs tors. theta energy: -59.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -736.987312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.987312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.987312 (E_RNA) where: Base-Base interactions energy: -423.990 where: short stacking energy: -230.629 Base-Backbone interact. energy: -1.426 local terms energy: -311.570805 where: bonds (distance) C4'-P energy: -69.418 bonds (distance) P-C4' energy: -77.179 flat angles C4'-P-C4' energy: -70.480 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -57.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -660.017813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.017813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.017813 (E_RNA) where: Base-Base interactions energy: -385.514 where: short stacking energy: -207.676 Base-Backbone interact. energy: -1.354 local terms energy: -273.149660 where: bonds (distance) C4'-P energy: -65.474 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -58.268 flat angles P-C4'-P energy: -36.591 tors. eta vs tors. theta energy: -51.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -668.643700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.643700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.643700 (E_RNA) where: Base-Base interactions energy: -398.479 where: short stacking energy: -208.162 Base-Backbone interact. energy: 2.702 local terms energy: -272.866936 where: bonds (distance) C4'-P energy: -60.347 bonds (distance) P-C4' energy: -53.187 flat angles C4'-P-C4' energy: -72.318 flat angles P-C4'-P energy: -45.678 tors. eta vs tors. theta energy: -41.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -606.840741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.840741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.840741 (E_RNA) where: Base-Base interactions energy: -327.785 where: short stacking energy: -193.198 Base-Backbone interact. energy: 0.665 local terms energy: -279.720957 where: bonds (distance) C4'-P energy: -60.679 bonds (distance) P-C4' energy: -62.590 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -33.447 tors. eta vs tors. theta energy: -46.854 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: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -474.903674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.903674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.903674 (E_RNA) where: Base-Base interactions energy: -234.114 where: short stacking energy: -158.098 Base-Backbone interact. energy: 1.123 local terms energy: -241.912457 where: bonds (distance) C4'-P energy: -62.769 bonds (distance) P-C4' energy: -62.690 flat angles C4'-P-C4' energy: -58.301 flat angles P-C4'-P energy: -31.489 tors. eta vs tors. theta energy: -26.664 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: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -430.708339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.708339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.708339 (E_RNA) where: Base-Base interactions energy: -205.519 where: short stacking energy: -137.824 Base-Backbone interact. energy: -1.000 local terms energy: -224.188654 where: bonds (distance) C4'-P energy: -57.598 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -47.338 flat angles P-C4'-P energy: -38.809 tors. eta vs tors. theta energy: -18.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -362.160211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.160211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.160211 (E_RNA) where: Base-Base interactions energy: -158.212 where: short stacking energy: -105.322 Base-Backbone interact. energy: -0.973 local terms energy: -202.974618 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -59.799 flat angles C4'-P-C4' energy: -53.249 flat angles P-C4'-P energy: -27.417 tors. eta vs tors. theta energy: -7.411 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: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -312.636121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.636121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.636121 (E_RNA) where: Base-Base interactions energy: -112.838 where: short stacking energy: -95.521 Base-Backbone interact. energy: 0.435 local terms energy: -200.233157 where: bonds (distance) C4'-P energy: -55.990 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -60.006 flat angles P-C4'-P energy: -25.683 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -952.162459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.162459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.162459 (E_RNA) where: Base-Base interactions energy: -599.751 where: short stacking energy: -278.653 Base-Backbone interact. energy: -2.855 local terms energy: -349.556534 where: bonds (distance) C4'-P energy: -71.530 bonds (distance) P-C4' energy: -72.055 flat angles C4'-P-C4' energy: -76.395 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -78.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -862.196231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.196231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.196231 (E_RNA) where: Base-Base interactions energy: -562.407 where: short stacking energy: -257.908 Base-Backbone interact. energy: -1.721 local terms energy: -298.068282 where: bonds (distance) C4'-P energy: -62.496 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -75.608 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -54.594 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: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -761.059693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.059693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.059693 (E_RNA) where: Base-Base interactions energy: -463.294 where: short stacking energy: -236.724 Base-Backbone interact. energy: -0.359 local terms energy: -297.406246 where: bonds (distance) C4'-P energy: -78.046 bonds (distance) P-C4' energy: -68.859 flat angles C4'-P-C4' energy: -62.021 flat angles P-C4'-P energy: -33.389 tors. eta vs tors. theta energy: -55.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -623.646740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.646740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.646740 (E_RNA) where: Base-Base interactions energy: -380.276 where: short stacking energy: -175.290 Base-Backbone interact. energy: 0.721 local terms energy: -244.091741 where: bonds (distance) C4'-P energy: -53.603 bonds (distance) P-C4' energy: -69.078 flat angles C4'-P-C4' energy: -62.141 flat angles P-C4'-P energy: -34.584 tors. eta vs tors. theta energy: -24.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -678.246151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.246151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.246151 (E_RNA) where: Base-Base interactions energy: -402.030 where: short stacking energy: -215.674 Base-Backbone interact. energy: -0.818 local terms energy: -275.398664 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -72.740 flat angles P-C4'-P energy: -27.181 tors. eta vs tors. theta energy: -45.854 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: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -596.181868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.181868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.181868 (E_RNA) where: Base-Base interactions energy: -364.119 where: short stacking energy: -186.962 Base-Backbone interact. energy: -0.966 local terms energy: -231.096942 where: bonds (distance) C4'-P energy: -45.013 bonds (distance) P-C4' energy: -64.357 flat angles C4'-P-C4' energy: -55.342 flat angles P-C4'-P energy: -38.227 tors. eta vs tors. theta energy: -28.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -480.973002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.973002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.973002 (E_RNA) where: Base-Base interactions energy: -255.817 where: short stacking energy: -162.168 Base-Backbone interact. energy: -2.029 local terms energy: -223.127517 where: bonds (distance) C4'-P energy: -66.516 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -51.718 flat angles P-C4'-P energy: -27.612 tors. eta vs tors. theta energy: -20.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -447.283249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.283249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.283249 (E_RNA) where: Base-Base interactions energy: -219.458 where: short stacking energy: -111.738 Base-Backbone interact. energy: -0.667 local terms energy: -227.158241 where: bonds (distance) C4'-P energy: -63.524 bonds (distance) P-C4' energy: -61.435 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -36.607 tors. eta vs tors. theta energy: 2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -325.116006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.116006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.116006 (E_RNA) where: Base-Base interactions energy: -140.033 where: short stacking energy: -111.948 Base-Backbone interact. energy: -1.232 local terms energy: -183.851054 where: bonds (distance) C4'-P energy: -56.295 bonds (distance) P-C4' energy: -52.941 flat angles C4'-P-C4' energy: -54.315 flat angles P-C4'-P energy: -22.695 tors. eta vs tors. theta energy: 2.395 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: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -293.306883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.306883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.306883 (E_RNA) where: Base-Base interactions energy: -118.039 where: short stacking energy: -90.672 Base-Backbone interact. energy: -0.841 local terms energy: -174.427030 where: bonds (distance) C4'-P energy: -59.175 bonds (distance) P-C4' energy: -57.467 flat angles C4'-P-C4' energy: -41.945 flat angles P-C4'-P energy: -19.739 tors. eta vs tors. theta energy: 3.900 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: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -989.329162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.329162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.329162 (E_RNA) where: Base-Base interactions energy: -642.391 where: short stacking energy: -300.652 Base-Backbone interact. energy: -0.695 local terms energy: -346.243763 where: bonds (distance) C4'-P energy: -69.143 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -75.706 flat angles P-C4'-P energy: -49.924 tors. eta vs tors. theta energy: -82.281 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: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -850.983650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.983650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.983650 (E_RNA) where: Base-Base interactions energy: -522.252 where: short stacking energy: -268.413 Base-Backbone interact. energy: -1.002 local terms energy: -327.729318 where: bonds (distance) C4'-P energy: -68.551 bonds (distance) P-C4' energy: -71.057 flat angles C4'-P-C4' energy: -67.285 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -68.784 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: 17 Temperature: 1.000000 Total energy: -826.937223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.937223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.937223 (E_RNA) where: Base-Base interactions energy: -510.812 where: short stacking energy: -263.099 Base-Backbone interact. energy: -1.455 local terms energy: -314.669647 where: bonds (distance) C4'-P energy: -63.150 bonds (distance) P-C4' energy: -65.958 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: -70.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -708.709732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.709732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.709732 (E_RNA) where: Base-Base interactions energy: -414.482 where: short stacking energy: -232.843 Base-Backbone interact. energy: -0.715 local terms energy: -293.513086 where: bonds (distance) C4'-P energy: -69.296 bonds (distance) P-C4' energy: -70.387 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -28.103 tors. eta vs tors. theta energy: -54.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -635.151098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.151098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.151098 (E_RNA) where: Base-Base interactions energy: -354.948 where: short stacking energy: -193.085 Base-Backbone interact. energy: -0.946 local terms energy: -279.256335 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -72.745 flat angles C4'-P-C4' energy: -57.881 flat angles P-C4'-P energy: -32.532 tors. eta vs tors. theta energy: -55.700 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: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -619.676432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.676432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.676432 (E_RNA) where: Base-Base interactions energy: -345.828 where: short stacking energy: -182.328 Base-Backbone interact. energy: -1.778 local terms energy: -272.070136 where: bonds (distance) C4'-P energy: -66.392 bonds (distance) P-C4' energy: -67.506 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -30.440 tors. eta vs tors. theta energy: -39.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -507.481358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.481358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.481358 (E_RNA) where: Base-Base interactions energy: -270.599 where: short stacking energy: -158.761 Base-Backbone interact. energy: -1.980 local terms energy: -234.902057 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -54.057 flat angles C4'-P-C4' energy: -63.993 flat angles P-C4'-P energy: -34.097 tors. eta vs tors. theta energy: -27.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -370.628724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.628724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.628724 (E_RNA) where: Base-Base interactions energy: -149.714 where: short stacking energy: -84.032 Base-Backbone interact. energy: 1.034 local terms energy: -221.948748 where: bonds (distance) C4'-P energy: -53.392 bonds (distance) P-C4' energy: -75.669 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -25.106 tors. eta vs tors. theta energy: -2.925 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: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -318.583653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.583653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.583653 (E_RNA) where: Base-Base interactions energy: -128.877 where: short stacking energy: -92.332 Base-Backbone interact. energy: -1.302 local terms energy: -188.404748 where: bonds (distance) C4'-P energy: -43.783 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -50.533 flat angles P-C4'-P energy: -24.700 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -313.359284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.359284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.359284 (E_RNA) where: Base-Base interactions energy: -114.910 where: short stacking energy: -96.546 Base-Backbone interact. energy: 2.462 local terms energy: -200.911029 where: bonds (distance) C4'-P energy: -52.028 bonds (distance) P-C4' energy: -62.275 flat angles C4'-P-C4' energy: -62.052 flat angles P-C4'-P energy: -22.293 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -990.001827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.001827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.001827 (E_RNA) where: Base-Base interactions energy: -637.851 where: short stacking energy: -298.027 Base-Backbone interact. energy: 0.583 local terms energy: -352.733545 where: bonds (distance) C4'-P energy: -69.706 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -78.904 flat angles P-C4'-P energy: -48.817 tors. eta vs tors. theta energy: -81.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -844.197643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.197643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.197643 (E_RNA) where: Base-Base interactions energy: -521.384 where: short stacking energy: -273.431 Base-Backbone interact. energy: -0.680 local terms energy: -322.133856 where: bonds (distance) C4'-P energy: -68.727 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -68.187 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -72.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -813.499783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.499783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.499783 (E_RNA) where: Base-Base interactions energy: -497.032 where: short stacking energy: -270.054 Base-Backbone interact. energy: 0.235 local terms energy: -316.703103 where: bonds (distance) C4'-P energy: -56.206 bonds (distance) P-C4' energy: -74.414 flat angles C4'-P-C4' energy: -68.824 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -74.105 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: 9 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -711.868709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.868709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.868709 (E_RNA) where: Base-Base interactions energy: -418.448 where: short stacking energy: -222.047 Base-Backbone interact. energy: 3.976 local terms energy: -297.397254 where: bonds (distance) C4'-P energy: -62.085 bonds (distance) P-C4' energy: -67.408 flat angles C4'-P-C4' energy: -70.717 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: -47.017 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: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -684.903356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.903356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.903356 (E_RNA) where: Base-Base interactions energy: -400.325 where: short stacking energy: -186.632 Base-Backbone interact. energy: 2.127 local terms energy: -286.705495 where: bonds (distance) C4'-P energy: -64.830 bonds (distance) P-C4' energy: -67.316 flat angles C4'-P-C4' energy: -63.283 flat angles P-C4'-P energy: -41.202 tors. eta vs tors. theta energy: -50.075 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: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -613.114063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.114063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.114063 (E_RNA) where: Base-Base interactions energy: -347.473 where: short stacking energy: -190.760 Base-Backbone interact. energy: -0.048 local terms energy: -265.593055 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -66.420 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -28.264 tors. eta vs tors. theta energy: -40.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -545.991005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.991005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.991005 (E_RNA) where: Base-Base interactions energy: -315.192 where: short stacking energy: -149.355 Base-Backbone interact. energy: 6.102 local terms energy: -236.900548 where: bonds (distance) C4'-P energy: -52.527 bonds (distance) P-C4' energy: -58.512 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -33.681 tors. eta vs tors. theta energy: -22.040 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: 18 Temperature: 1.250000 Total energy: -358.550944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.550944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.550944 (E_RNA) where: Base-Base interactions energy: -156.215 where: short stacking energy: -114.145 Base-Backbone interact. energy: -1.193 local terms energy: -201.143032 where: bonds (distance) C4'-P energy: -50.566 bonds (distance) P-C4' energy: -64.092 flat angles C4'-P-C4' energy: -54.004 flat angles P-C4'-P energy: -32.642 tors. eta vs tors. theta energy: 0.160 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: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -334.206337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.206337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.206337 (E_RNA) where: Base-Base interactions energy: -138.746 where: short stacking energy: -90.387 Base-Backbone interact. energy: 0.176 local terms energy: -195.636094 where: bonds (distance) C4'-P energy: -44.052 bonds (distance) P-C4' energy: -64.081 flat angles C4'-P-C4' energy: -57.256 flat angles P-C4'-P energy: -26.639 tors. eta vs tors. theta energy: -3.608 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: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -280.014774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.014774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.014774 (E_RNA) where: Base-Base interactions energy: -87.390 where: short stacking energy: -84.472 Base-Backbone interact. energy: 1.906 local terms energy: -194.530165 where: bonds (distance) C4'-P energy: -55.184 bonds (distance) P-C4' energy: -57.474 flat angles C4'-P-C4' energy: -63.179 flat angles P-C4'-P energy: -31.914 tors. eta vs tors. theta energy: 13.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1013.484374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.484374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.484374 (E_RNA) where: Base-Base interactions energy: -666.885 where: short stacking energy: -286.738 Base-Backbone interact. energy: -1.351 local terms energy: -345.247807 where: bonds (distance) C4'-P energy: -68.029 bonds (distance) P-C4' energy: -69.369 flat angles C4'-P-C4' energy: -77.690 flat angles P-C4'-P energy: -52.382 tors. eta vs tors. theta energy: -77.778 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: 2, replica: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -840.140006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.140006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.140006 (E_RNA) where: Base-Base interactions energy: -500.289 where: short stacking energy: -265.784 Base-Backbone interact. energy: -0.808 local terms energy: -339.042977 where: bonds (distance) C4'-P energy: -70.374 bonds (distance) P-C4' energy: -73.280 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -73.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -811.360965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.360965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.360965 (E_RNA) where: Base-Base interactions energy: -495.266 where: short stacking energy: -244.667 Base-Backbone interact. energy: -1.587 local terms energy: -314.507453 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -68.700 flat angles C4'-P-C4' energy: -77.884 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -55.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -766.197361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.197361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.197361 (E_RNA) where: Base-Base interactions energy: -469.779 where: short stacking energy: -216.864 Base-Backbone interact. energy: -0.185 local terms energy: -296.232967 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: -57.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -662.462161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.462161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.462161 (E_RNA) where: Base-Base interactions energy: -405.906 where: short stacking energy: -216.615 Base-Backbone interact. energy: 0.445 local terms energy: -257.000728 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -53.469 flat angles P-C4'-P energy: -37.857 tors. eta vs tors. theta energy: -45.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -607.307361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.307361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.307361 (E_RNA) where: Base-Base interactions energy: -347.145 where: short stacking energy: -197.155 Base-Backbone interact. energy: -1.440 local terms energy: -258.721868 where: bonds (distance) C4'-P energy: -63.159 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -54.141 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: -39.043 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: 19 Temperature: 1.200000 Total energy: -552.144974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.144974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.144974 (E_RNA) where: Base-Base interactions energy: -300.762 where: short stacking energy: -155.919 Base-Backbone interact. energy: -0.833 local terms energy: -250.549707 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -59.338 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -25.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -335.883076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.883076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.883076 (E_RNA) where: Base-Base interactions energy: -150.868 where: short stacking energy: -107.406 Base-Backbone interact. energy: -1.256 local terms energy: -183.758757 where: bonds (distance) C4'-P energy: -49.830 bonds (distance) P-C4' energy: -59.883 flat angles C4'-P-C4' energy: -56.708 flat angles P-C4'-P energy: -17.823 tors. eta vs tors. theta energy: 0.485 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: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -342.303062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.303062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.303062 (E_RNA) where: Base-Base interactions energy: -154.380 where: short stacking energy: -105.239 Base-Backbone interact. energy: 0.102 local terms energy: -188.024495 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -63.951 flat angles C4'-P-C4' energy: -42.612 flat angles P-C4'-P energy: -35.261 tors. eta vs tors. theta energy: 5.832 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: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -295.241489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.241489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.241489 (E_RNA) where: Base-Base interactions energy: -105.862 where: short stacking energy: -74.195 Base-Backbone interact. energy: -0.944 local terms energy: -188.434665 where: bonds (distance) C4'-P energy: -62.465 bonds (distance) P-C4' energy: -69.956 flat angles C4'-P-C4' energy: -52.001 flat angles P-C4'-P energy: -18.139 tors. eta vs tors. theta energy: 14.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1001.376269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.376269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.376269 (E_RNA) where: Base-Base interactions energy: -660.769 where: short stacking energy: -317.698 Base-Backbone interact. energy: -2.046 local terms energy: -338.561422 where: bonds (distance) C4'-P energy: -61.693 bonds (distance) P-C4' energy: -66.633 flat angles C4'-P-C4' energy: -86.300 flat angles P-C4'-P energy: -39.043 tors. eta vs tors. theta energy: -84.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -804.642750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.642750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.642750 (E_RNA) where: Base-Base interactions energy: -517.136 where: short stacking energy: -265.403 Base-Backbone interact. energy: 1.022 local terms energy: -288.529388 where: bonds (distance) C4'-P energy: -61.164 bonds (distance) P-C4' energy: -61.614 flat angles C4'-P-C4' energy: -69.769 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -58.260 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: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -847.308435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.308435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.308435 (E_RNA) where: Base-Base interactions energy: -535.458 where: short stacking energy: -253.815 Base-Backbone interact. energy: -0.952 local terms energy: -310.898172 where: bonds (distance) C4'-P energy: -66.909 bonds (distance) P-C4' energy: -67.906 flat angles C4'-P-C4' energy: -67.113 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -54.448 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: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -783.336639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.336639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.336639 (E_RNA) where: Base-Base interactions energy: -488.459 where: short stacking energy: -238.319 Base-Backbone interact. energy: -1.446 local terms energy: -293.431509 where: bonds (distance) C4'-P energy: -66.640 bonds (distance) P-C4' energy: -60.043 flat angles C4'-P-C4' energy: -73.820 flat angles P-C4'-P energy: -40.773 tors. eta vs tors. theta energy: -52.156 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: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -661.257733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.257733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.257733 (E_RNA) where: Base-Base interactions energy: -380.370 where: short stacking energy: -195.788 Base-Backbone interact. energy: -0.843 local terms energy: -280.044262 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -72.382 flat angles P-C4'-P energy: -32.275 tors. eta vs tors. theta energy: -39.526 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: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -606.318554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.318554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.318554 (E_RNA) where: Base-Base interactions energy: -348.789 where: short stacking energy: -189.210 Base-Backbone interact. energy: -1.778 local terms energy: -255.751050 where: bonds (distance) C4'-P energy: -49.017 bonds (distance) P-C4' energy: -61.526 flat angles C4'-P-C4' energy: -65.371 flat angles P-C4'-P energy: -47.654 tors. eta vs tors. theta energy: -32.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -541.589702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.589702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.589702 (E_RNA) where: Base-Base interactions energy: -285.780 where: short stacking energy: -190.326 Base-Backbone interact. energy: 1.965 local terms energy: -257.774535 where: bonds (distance) C4'-P energy: -58.539 bonds (distance) P-C4' energy: -48.469 flat angles C4'-P-C4' energy: -63.341 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -39.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -381.098552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.098552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.098552 (E_RNA) where: Base-Base interactions energy: -170.323 where: short stacking energy: -123.926 Base-Backbone interact. energy: -1.695 local terms energy: -209.080415 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -70.853 flat angles C4'-P-C4' energy: -49.772 flat angles P-C4'-P energy: -21.267 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -306.629029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.629029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.629029 (E_RNA) where: Base-Base interactions energy: -111.237 where: short stacking energy: -105.937 Base-Backbone interact. energy: -0.709 local terms energy: -194.683567 where: bonds (distance) C4'-P energy: -54.189 bonds (distance) P-C4' energy: -54.986 flat angles C4'-P-C4' energy: -49.231 flat angles P-C4'-P energy: -30.983 tors. eta vs tors. theta energy: -5.294 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: 20 Temperature: 1.350000 Total energy: -283.899692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.899692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.899692 (E_RNA) where: Base-Base interactions energy: -123.714 where: short stacking energy: -79.286 Base-Backbone interact. energy: 1.196 local terms energy: -161.380955 where: bonds (distance) C4'-P energy: -50.052 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -48.063 flat angles P-C4'-P energy: -25.193 tors. eta vs tors. theta energy: 18.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1013.204597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.204597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.204597 (E_RNA) where: Base-Base interactions energy: -668.790 where: short stacking energy: -309.993 Base-Backbone interact. energy: -2.333 local terms energy: -342.080889 where: bonds (distance) C4'-P energy: -51.737 bonds (distance) P-C4' energy: -73.663 flat angles C4'-P-C4' energy: -80.257 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -91.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -838.012905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.012905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.012905 (E_RNA) where: Base-Base interactions energy: -515.318 where: short stacking energy: -268.812 Base-Backbone interact. energy: -1.591 local terms energy: -321.103939 where: bonds (distance) C4'-P energy: -59.331 bonds (distance) P-C4' energy: -76.559 flat angles C4'-P-C4' energy: -73.775 flat angles P-C4'-P energy: -45.328 tors. eta vs tors. theta energy: -66.111 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: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -836.169791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.169791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.169791 (E_RNA) where: Base-Base interactions energy: -528.525 where: short stacking energy: -275.204 Base-Backbone interact. energy: -1.265 local terms energy: -306.379994 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -64.639 flat angles C4'-P-C4' energy: -68.149 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -73.577 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: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -813.704069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.704069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.704069 (E_RNA) where: Base-Base interactions energy: -513.043 where: short stacking energy: -240.403 Base-Backbone interact. energy: -2.125 local terms energy: -298.536588 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -73.482 flat angles C4'-P-C4' energy: -68.542 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -54.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -627.986270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.986270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.986270 (E_RNA) where: Base-Base interactions energy: -371.011 where: short stacking energy: -178.541 Base-Backbone interact. energy: -1.458 local terms energy: -255.517257 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -65.930 flat angles C4'-P-C4' energy: -54.233 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: -31.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -645.366466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.366466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.366466 (E_RNA) where: Base-Base interactions energy: -363.310 where: short stacking energy: -174.094 Base-Backbone interact. energy: -1.205 local terms energy: -280.851107 where: bonds (distance) C4'-P energy: -70.815 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -39.764 tors. eta vs tors. theta energy: -38.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -583.956482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.956482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.956482 (E_RNA) where: Base-Base interactions energy: -340.692 where: short stacking energy: -190.694 Base-Backbone interact. energy: 0.672 local terms energy: -243.935722 where: bonds (distance) C4'-P energy: -56.419 bonds (distance) P-C4' energy: -54.251 flat angles C4'-P-C4' energy: -53.956 flat angles P-C4'-P energy: -36.958 tors. eta vs tors. theta energy: -42.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -397.459012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.459012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.459012 (E_RNA) where: Base-Base interactions energy: -199.463 where: short stacking energy: -114.296 Base-Backbone interact. energy: 1.995 local terms energy: -199.991226 where: bonds (distance) C4'-P energy: -69.697 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -44.885 flat angles P-C4'-P energy: -23.806 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: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -304.093571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.093571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.093571 (E_RNA) where: Base-Base interactions energy: -106.899 where: short stacking energy: -92.753 Base-Backbone interact. energy: 2.711 local terms energy: -199.904985 where: bonds (distance) C4'-P energy: -70.526 bonds (distance) P-C4' energy: -69.113 flat angles C4'-P-C4' energy: -54.660 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: 6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -282.392433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.392433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.392433 (E_RNA) where: Base-Base interactions energy: -96.004 where: short stacking energy: -71.560 Base-Backbone interact. energy: 0.843 local terms energy: -187.231006 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -40.009 flat angles P-C4'-P energy: -31.924 tors. eta vs tors. theta energy: 6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1028.548940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.548940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.548940 (E_RNA) where: Base-Base interactions energy: -683.284 where: short stacking energy: -338.324 Base-Backbone interact. energy: -0.862 local terms energy: -344.402494 where: bonds (distance) C4'-P energy: -63.309 bonds (distance) P-C4' energy: -55.912 flat angles C4'-P-C4' energy: -77.437 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -97.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -887.294703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.294703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.294703 (E_RNA) where: Base-Base interactions energy: -577.587 where: short stacking energy: -286.176 Base-Backbone interact. energy: 0.647 local terms energy: -310.354185 where: bonds (distance) C4'-P energy: -61.381 bonds (distance) P-C4' energy: -73.145 flat angles C4'-P-C4' energy: -63.327 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: -69.751 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: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -855.277701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.277701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.277701 (E_RNA) where: Base-Base interactions energy: -544.349 where: short stacking energy: -284.056 Base-Backbone interact. energy: -0.774 local terms energy: -310.154541 where: bonds (distance) C4'-P energy: -61.807 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -45.770 tors. eta vs tors. theta energy: -73.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -841.057665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.057665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.057665 (E_RNA) where: Base-Base interactions energy: -535.273 where: short stacking energy: -255.995 Base-Backbone interact. energy: -0.830 local terms energy: -304.955041 where: bonds (distance) C4'-P energy: -58.614 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -75.060 flat angles P-C4'-P energy: -50.049 tors. eta vs tors. theta energy: -53.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -727.685637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.685637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.685637 (E_RNA) where: Base-Base interactions energy: -445.278 where: short stacking energy: -215.798 Base-Backbone interact. energy: 1.396 local terms energy: -283.803389 where: bonds (distance) C4'-P energy: -54.378 bonds (distance) P-C4' energy: -75.652 flat angles C4'-P-C4' energy: -68.466 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: -49.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -638.879125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.879125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.879125 (E_RNA) where: Base-Base interactions energy: -388.067 where: short stacking energy: -193.804 Base-Backbone interact. energy: -1.568 local terms energy: -249.243557 where: bonds (distance) C4'-P energy: -62.788 bonds (distance) P-C4' energy: -55.729 flat angles C4'-P-C4' energy: -49.613 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -40.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -609.580072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.580072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.580072 (E_RNA) where: Base-Base interactions energy: -362.716 where: short stacking energy: -175.292 Base-Backbone interact. energy: -0.489 local terms energy: -246.375183 where: bonds (distance) C4'-P energy: -46.604 bonds (distance) P-C4' energy: -66.726 flat angles C4'-P-C4' energy: -61.845 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -31.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -435.313211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.313211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.313211 (E_RNA) where: Base-Base interactions energy: -209.745 where: short stacking energy: -134.805 Base-Backbone interact. energy: 2.971 local terms energy: -228.539329 where: bonds (distance) C4'-P energy: -51.455 bonds (distance) P-C4' energy: -58.841 flat angles C4'-P-C4' energy: -60.213 flat angles P-C4'-P energy: -43.181 tors. eta vs tors. theta energy: -14.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -305.238868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.238868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.238868 (E_RNA) where: Base-Base interactions energy: -106.535 where: short stacking energy: -80.302 Base-Backbone interact. energy: -1.040 local terms energy: -197.663597 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -60.918 flat angles C4'-P-C4' energy: -52.962 flat angles P-C4'-P energy: -21.342 tors. eta vs tors. theta energy: 2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -287.619401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.619401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.619401 (E_RNA) where: Base-Base interactions energy: -109.168 where: short stacking energy: -84.897 Base-Backbone interact. energy: -1.582 local terms energy: -176.869250 where: bonds (distance) C4'-P energy: -50.978 bonds (distance) P-C4' energy: -57.790 flat angles C4'-P-C4' energy: -36.468 flat angles P-C4'-P energy: -31.407 tors. eta vs tors. theta energy: -0.226 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: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1037.004949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.004949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.004949 (E_RNA) where: Base-Base interactions energy: -676.308 where: short stacking energy: -323.516 Base-Backbone interact. energy: -0.689 local terms energy: -360.008371 where: bonds (distance) C4'-P energy: -63.914 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -74.624 flat angles P-C4'-P energy: -49.211 tors. eta vs tors. theta energy: -99.022 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: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -891.079542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.079542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.079542 (E_RNA) where: Base-Base interactions energy: -577.122 where: short stacking energy: -269.577 Base-Backbone interact. energy: -2.620 local terms energy: -311.338184 where: bonds (distance) C4'-P energy: -65.254 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -65.989 flat angles P-C4'-P energy: -42.254 tors. eta vs tors. theta energy: -69.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -857.269799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.269799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.269799 (E_RNA) where: Base-Base interactions energy: -531.936 where: short stacking energy: -262.494 Base-Backbone interact. energy: -1.977 local terms energy: -323.356630 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -65.074 flat angles C4'-P-C4' energy: -79.451 flat angles P-C4'-P energy: -50.605 tors. eta vs tors. theta energy: -57.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -840.434574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.434574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.434574 (E_RNA) where: Base-Base interactions energy: -529.977 where: short stacking energy: -256.869 Base-Backbone interact. energy: -0.839 local terms energy: -309.618893 where: bonds (distance) C4'-P energy: -66.974 bonds (distance) P-C4' energy: -70.060 flat angles C4'-P-C4' energy: -69.826 flat angles P-C4'-P energy: -42.369 tors. eta vs tors. theta energy: -60.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -729.180800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.180800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.180800 (E_RNA) where: Base-Base interactions energy: -422.359 where: short stacking energy: -208.029 Base-Backbone interact. energy: -1.660 local terms energy: -305.161451 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -77.702 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -48.447 tors. eta vs tors. theta energy: -56.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -614.994612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.994612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.994612 (E_RNA) where: Base-Base interactions energy: -359.709 where: short stacking energy: -179.724 Base-Backbone interact. energy: 1.438 local terms energy: -256.723049 where: bonds (distance) C4'-P energy: -52.058 bonds (distance) P-C4' energy: -71.649 flat angles C4'-P-C4' energy: -63.661 flat angles P-C4'-P energy: -26.433 tors. eta vs tors. theta energy: -42.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -556.321600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.321600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.321600 (E_RNA) where: Base-Base interactions energy: -302.754 where: short stacking energy: -172.775 Base-Backbone interact. energy: -1.117 local terms energy: -252.450988 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -59.171 flat angles P-C4'-P energy: -35.249 tors. eta vs tors. theta energy: -35.339 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: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -436.030152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.030152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.030152 (E_RNA) where: Base-Base interactions energy: -243.764 where: short stacking energy: -119.708 Base-Backbone interact. energy: -1.604 local terms energy: -190.662602 where: bonds (distance) C4'-P energy: -50.062 bonds (distance) P-C4' energy: -49.259 flat angles C4'-P-C4' energy: -50.202 flat angles P-C4'-P energy: -33.472 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -329.900986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.900986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.900986 (E_RNA) where: Base-Base interactions energy: -133.469 where: short stacking energy: -110.144 Base-Backbone interact. energy: -0.574 local terms energy: -195.858184 where: bonds (distance) C4'-P energy: -48.538 bonds (distance) P-C4' energy: -67.391 flat angles C4'-P-C4' energy: -43.987 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: 3.428 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: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -272.624385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.624385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.624385 (E_RNA) where: Base-Base interactions energy: -78.122 where: short stacking energy: -72.881 Base-Backbone interact. energy: -0.944 local terms energy: -193.559144 where: bonds (distance) C4'-P energy: -50.270 bonds (distance) P-C4' energy: -42.181 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: 6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1026.671328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.671328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.671328 (E_RNA) where: Base-Base interactions energy: -680.704 where: short stacking energy: -313.950 Base-Backbone interact. energy: 1.211 local terms energy: -347.178961 where: bonds (distance) C4'-P energy: -62.033 bonds (distance) P-C4' energy: -66.892 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -48.836 tors. eta vs tors. theta energy: -95.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -888.047951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.047951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.047951 (E_RNA) where: Base-Base interactions energy: -572.661 where: short stacking energy: -257.707 Base-Backbone interact. energy: -3.181 local terms energy: -312.205837 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -74.806 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: -64.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -886.032979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.032979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.032979 (E_RNA) where: Base-Base interactions energy: -560.676 where: short stacking energy: -273.426 Base-Backbone interact. energy: -1.105 local terms energy: -324.251815 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -69.297 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -75.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -834.858876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.858876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.858876 (E_RNA) where: Base-Base interactions energy: -526.706 where: short stacking energy: -250.493 Base-Backbone interact. energy: -1.399 local terms energy: -306.754294 where: bonds (distance) C4'-P energy: -69.350 bonds (distance) P-C4' energy: -67.143 flat angles C4'-P-C4' energy: -61.037 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -59.902 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: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -772.314124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.314124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.314124 (E_RNA) where: Base-Base interactions energy: -468.998 where: short stacking energy: -226.482 Base-Backbone interact. energy: -0.796 local terms energy: -302.520599 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -70.192 flat angles C4'-P-C4' energy: -68.295 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -60.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -554.979974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.979974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.979974 (E_RNA) where: Base-Base interactions energy: -304.317 where: short stacking energy: -162.699 Base-Backbone interact. energy: 0.810 local terms energy: -251.473340 where: bonds (distance) C4'-P energy: -60.540 bonds (distance) P-C4' energy: -63.215 flat angles C4'-P-C4' energy: -69.397 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -20.919 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: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -575.102247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.102247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.102247 (E_RNA) where: Base-Base interactions energy: -338.548 where: short stacking energy: -170.396 Base-Backbone interact. energy: 0.289 local terms energy: -236.843565 where: bonds (distance) C4'-P energy: -54.575 bonds (distance) P-C4' energy: -61.231 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -30.778 tors. eta vs tors. theta energy: -25.610 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: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -404.332070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.332070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.332070 (E_RNA) where: Base-Base interactions energy: -205.180 where: short stacking energy: -114.381 Base-Backbone interact. energy: -0.892 local terms energy: -198.260980 where: bonds (distance) C4'-P energy: -55.705 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -38.363 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -1.800 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: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -324.812609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.812609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.812609 (E_RNA) where: Base-Base interactions energy: -133.512 where: short stacking energy: -96.509 Base-Backbone interact. energy: -1.731 local terms energy: -189.568821 where: bonds (distance) C4'-P energy: -45.974 bonds (distance) P-C4' energy: -56.399 flat angles C4'-P-C4' energy: -48.340 flat angles P-C4'-P energy: -33.315 tors. eta vs tors. theta energy: -5.541 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: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -315.824418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.824418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.824418 (E_RNA) where: Base-Base interactions energy: -107.005 where: short stacking energy: -99.528 Base-Backbone interact. energy: -0.064 local terms energy: -208.755428 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -56.530 flat angles C4'-P-C4' energy: -45.731 flat angles P-C4'-P energy: -36.847 tors. eta vs tors. theta energy: -4.311 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: 25 Temperature: 0.900000 Total energy: -1043.935673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.935673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.935673 (E_RNA) where: Base-Base interactions energy: -684.930 where: short stacking energy: -312.085 Base-Backbone interact. energy: 0.821 local terms energy: -359.826444 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -75.864 flat angles C4'-P-C4' energy: -70.807 flat angles P-C4'-P energy: -51.843 tors. eta vs tors. theta energy: -88.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -937.526436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.526436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.526436 (E_RNA) where: Base-Base interactions energy: -604.944 where: short stacking energy: -286.443 Base-Backbone interact. energy: -3.611 local terms energy: -328.971083 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -72.301 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -44.166 tors. eta vs tors. theta energy: -78.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -814.422752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.422752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.422752 (E_RNA) where: Base-Base interactions energy: -509.177 where: short stacking energy: -242.515 Base-Backbone interact. energy: -1.113 local terms energy: -304.132879 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -69.663 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -52.162 tors. eta vs tors. theta energy: -48.187 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: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -848.143463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.143463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.143463 (E_RNA) where: Base-Base interactions energy: -534.677 where: short stacking energy: -242.022 Base-Backbone interact. energy: -0.791 local terms energy: -312.675441 where: bonds (distance) C4'-P energy: -61.448 bonds (distance) P-C4' energy: -64.753 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -52.649 tors. eta vs tors. theta energy: -64.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -675.100700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.100700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.100700 (E_RNA) where: Base-Base interactions energy: -399.690 where: short stacking energy: -234.158 Base-Backbone interact. energy: -0.841 local terms energy: -274.569371 where: bonds (distance) C4'-P energy: -62.822 bonds (distance) P-C4' energy: -61.870 flat angles C4'-P-C4' energy: -59.237 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -47.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -615.269908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.269908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.269908 (E_RNA) where: Base-Base interactions energy: -343.406 where: short stacking energy: -180.084 Base-Backbone interact. energy: 0.679 local terms energy: -272.542748 where: bonds (distance) C4'-P energy: -67.415 bonds (distance) P-C4' energy: -69.195 flat angles C4'-P-C4' energy: -51.460 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -45.725 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: 7, replica: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -559.352660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.352660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.352660 (E_RNA) where: Base-Base interactions energy: -316.613 where: short stacking energy: -148.649 Base-Backbone interact. energy: -1.245 local terms energy: -241.494665 where: bonds (distance) C4'-P energy: -63.049 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -51.864 flat angles P-C4'-P energy: -43.908 tors. eta vs tors. theta energy: -18.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -446.661594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.661594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.661594 (E_RNA) where: Base-Base interactions energy: -229.351 where: short stacking energy: -122.484 Base-Backbone interact. energy: -1.007 local terms energy: -216.304004 where: bonds (distance) C4'-P energy: -57.327 bonds (distance) P-C4' energy: -64.678 flat angles C4'-P-C4' energy: -59.153 flat angles P-C4'-P energy: -30.816 tors. eta vs tors. theta energy: -4.330 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: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -316.575586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.575586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.575586 (E_RNA) where: Base-Base interactions energy: -104.123 where: short stacking energy: -98.003 Base-Backbone interact. energy: 2.648 local terms energy: -215.100479 where: bonds (distance) C4'-P energy: -55.782 bonds (distance) P-C4' energy: -67.618 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -32.365 tors. eta vs tors. theta energy: 8.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -283.785397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.785397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.785397 (E_RNA) where: Base-Base interactions energy: -86.836 where: short stacking energy: -86.375 Base-Backbone interact. energy: -0.882 local terms energy: -196.067298 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -65.078 flat angles C4'-P-C4' energy: -59.223 flat angles P-C4'-P energy: -24.718 tors. eta vs tors. theta energy: 16.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1040.273979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.273979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.273979 (E_RNA) where: Base-Base interactions energy: -704.663 where: short stacking energy: -337.782 Base-Backbone interact. energy: -0.827 local terms energy: -334.783468 where: bonds (distance) C4'-P energy: -61.947 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -69.881 flat angles P-C4'-P energy: -36.916 tors. eta vs tors. theta energy: -97.926 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: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -946.001280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.001280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.001280 (E_RNA) where: Base-Base interactions energy: -637.734 where: short stacking energy: -296.974 Base-Backbone interact. energy: 0.082 local terms energy: -308.349389 where: bonds (distance) C4'-P energy: -61.892 bonds (distance) P-C4' energy: -66.584 flat angles C4'-P-C4' energy: -65.874 flat angles P-C4'-P energy: -41.555 tors. eta vs tors. theta energy: -72.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -861.677003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.677003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.677003 (E_RNA) where: Base-Base interactions energy: -559.527 where: short stacking energy: -266.956 Base-Backbone interact. energy: -3.220 local terms energy: -298.930652 where: bonds (distance) C4'-P energy: -52.328 bonds (distance) P-C4' energy: -68.590 flat angles C4'-P-C4' energy: -67.940 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -65.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -797.745694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.745694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.745694 (E_RNA) where: Base-Base interactions energy: -510.337 where: short stacking energy: -257.889 Base-Backbone interact. energy: -0.977 local terms energy: -286.431970 where: bonds (distance) C4'-P energy: -53.397 bonds (distance) P-C4' energy: -58.590 flat angles C4'-P-C4' energy: -68.212 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -65.256 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: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -712.067253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.067253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.067253 (E_RNA) where: Base-Base interactions energy: -423.666 where: short stacking energy: -202.553 Base-Backbone interact. energy: -0.976 local terms energy: -287.424817 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -64.245 flat angles C4'-P-C4' energy: -60.932 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -55.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -654.178404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.178404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.178404 (E_RNA) where: Base-Base interactions energy: -364.284 where: short stacking energy: -202.862 Base-Backbone interact. energy: 1.139 local terms energy: -291.032821 where: bonds (distance) C4'-P energy: -56.880 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -64.586 flat angles P-C4'-P energy: -52.353 tors. eta vs tors. theta energy: -55.806 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: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -587.935685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.935685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.935685 (E_RNA) where: Base-Base interactions energy: -345.240 where: short stacking energy: -169.088 Base-Backbone interact. energy: -2.803 local terms energy: -239.893219 where: bonds (distance) C4'-P energy: -43.268 bonds (distance) P-C4' energy: -61.019 flat angles C4'-P-C4' energy: -60.398 flat angles P-C4'-P energy: -38.342 tors. eta vs tors. theta energy: -36.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -495.198561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.198561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.198561 (E_RNA) where: Base-Base interactions energy: -256.468 where: short stacking energy: -128.241 Base-Backbone interact. energy: -0.447 local terms energy: -238.283241 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -67.173 flat angles C4'-P-C4' energy: -55.875 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -16.383 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: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -304.478283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.478283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.478283 (E_RNA) where: Base-Base interactions energy: -113.008 where: short stacking energy: -86.778 Base-Backbone interact. energy: 3.622 local terms energy: -195.091596 where: bonds (distance) C4'-P energy: -66.708 bonds (distance) P-C4' energy: -56.789 flat angles C4'-P-C4' energy: -50.136 flat angles P-C4'-P energy: -28.872 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: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -290.600187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.600187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.600187 (E_RNA) where: Base-Base interactions energy: -87.945 where: short stacking energy: -66.552 Base-Backbone interact. energy: -1.820 local terms energy: -200.834953 where: bonds (distance) C4'-P energy: -56.769 bonds (distance) P-C4' energy: -49.124 flat angles C4'-P-C4' energy: -47.552 flat angles P-C4'-P energy: -43.181 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1044.890955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.890955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.890955 (E_RNA) where: Base-Base interactions energy: -675.753 where: short stacking energy: -306.536 Base-Backbone interact. energy: -2.565 local terms energy: -366.572654 where: bonds (distance) C4'-P energy: -63.381 bonds (distance) P-C4' energy: -73.732 flat angles C4'-P-C4' energy: -81.377 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -959.781718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.781718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.781718 (E_RNA) where: Base-Base interactions energy: -628.530 where: short stacking energy: -289.557 Base-Backbone interact. energy: -1.659 local terms energy: -329.592742 where: bonds (distance) C4'-P energy: -72.157 bonds (distance) P-C4' energy: -60.906 flat angles C4'-P-C4' energy: -66.765 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -73.696 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: 3, replica: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -875.348412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.348412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.348412 (E_RNA) where: Base-Base interactions energy: -581.294 where: short stacking energy: -268.040 Base-Backbone interact. energy: -0.028 local terms energy: -294.025901 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -67.457 flat angles P-C4'-P energy: -31.416 tors. eta vs tors. theta energy: -60.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -807.523893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.523893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.523893 (E_RNA) where: Base-Base interactions energy: -505.729 where: short stacking energy: -243.612 Base-Backbone interact. energy: -0.963 local terms energy: -300.831473 where: bonds (distance) C4'-P energy: -54.579 bonds (distance) P-C4' energy: -73.085 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -58.986 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: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -678.978959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.978959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.978959 (E_RNA) where: Base-Base interactions energy: -391.810 where: short stacking energy: -194.208 Base-Backbone interact. energy: -0.304 local terms energy: -286.865144 where: bonds (distance) C4'-P energy: -62.651 bonds (distance) P-C4' energy: -60.356 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -39.604 tors. eta vs tors. theta energy: -54.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -689.669515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.669515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.669515 (E_RNA) where: Base-Base interactions energy: -398.974 where: short stacking energy: -213.289 Base-Backbone interact. energy: -0.944 local terms energy: -289.751328 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -71.263 flat angles C4'-P-C4' energy: -76.465 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -38.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -567.054709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.054709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.054709 (E_RNA) where: Base-Base interactions energy: -338.413 where: short stacking energy: -178.324 Base-Backbone interact. energy: -0.737 local terms energy: -227.904765 where: bonds (distance) C4'-P energy: -44.771 bonds (distance) P-C4' energy: -62.430 flat angles C4'-P-C4' energy: -55.220 flat angles P-C4'-P energy: -35.008 tors. eta vs tors. theta energy: -30.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -479.073218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.073218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.073218 (E_RNA) where: Base-Base interactions energy: -255.256 where: short stacking energy: -141.747 Base-Backbone interact. energy: -1.574 local terms energy: -222.243868 where: bonds (distance) C4'-P energy: -57.234 bonds (distance) P-C4' energy: -67.212 flat angles C4'-P-C4' energy: -42.658 flat angles P-C4'-P energy: -39.403 tors. eta vs tors. theta energy: -15.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -326.359914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.359914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.359914 (E_RNA) where: Base-Base interactions energy: -124.622 where: short stacking energy: -104.490 Base-Backbone interact. energy: 0.077 local terms energy: -201.814849 where: bonds (distance) C4'-P energy: -54.541 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -49.916 flat angles P-C4'-P energy: -36.427 tors. eta vs tors. theta energy: -0.428 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: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -282.908376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.908376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.908376 (E_RNA) where: Base-Base interactions energy: -99.204 where: short stacking energy: -87.774 Base-Backbone interact. energy: -0.104 local terms energy: -183.599787 where: bonds (distance) C4'-P energy: -45.234 bonds (distance) P-C4' energy: -63.156 flat angles C4'-P-C4' energy: -50.635 flat angles P-C4'-P energy: -26.195 tors. eta vs tors. theta energy: 1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1057.140072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.140072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.140072 (E_RNA) where: Base-Base interactions energy: -688.984 where: short stacking energy: -338.311 Base-Backbone interact. energy: 0.775 local terms energy: -368.930532 where: bonds (distance) C4'-P energy: -69.592 bonds (distance) P-C4' energy: -67.078 flat angles C4'-P-C4' energy: -77.972 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -95.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -911.134641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.134641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.134641 (E_RNA) where: Base-Base interactions energy: -577.061 where: short stacking energy: -262.684 Base-Backbone interact. energy: 0.936 local terms energy: -335.009245 where: bonds (distance) C4'-P energy: -65.273 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -75.026 flat angles P-C4'-P energy: -53.449 tors. eta vs tors. theta energy: -74.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -884.691829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.691829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.691829 (E_RNA) where: Base-Base interactions energy: -583.248 where: short stacking energy: -243.013 Base-Backbone interact. energy: -0.131 local terms energy: -301.313191 where: bonds (distance) C4'-P energy: -63.301 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -67.723 flat angles P-C4'-P energy: -47.204 tors. eta vs tors. theta energy: -63.047 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: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -825.379534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.379534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.379534 (E_RNA) where: Base-Base interactions energy: -510.663 where: short stacking energy: -254.201 Base-Backbone interact. energy: 1.193 local terms energy: -315.909491 where: bonds (distance) C4'-P energy: -63.836 bonds (distance) P-C4' energy: -71.985 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -75.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -705.695106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.695106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.695106 (E_RNA) where: Base-Base interactions energy: -418.458 where: short stacking energy: -202.381 Base-Backbone interact. energy: -2.538 local terms energy: -284.699443 where: bonds (distance) C4'-P energy: -69.083 bonds (distance) P-C4' energy: -58.110 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -44.409 tors. eta vs tors. theta energy: -43.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -682.037149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.037149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.037149 (E_RNA) where: Base-Base interactions energy: -410.745 where: short stacking energy: -201.291 Base-Backbone interact. energy: -2.465 local terms energy: -268.827323 where: bonds (distance) C4'-P energy: -55.172 bonds (distance) P-C4' energy: -60.598 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -36.274 tors. eta vs tors. theta energy: -49.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -524.745561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.745561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.745561 (E_RNA) where: Base-Base interactions energy: -290.268 where: short stacking energy: -157.276 Base-Backbone interact. energy: -0.389 local terms energy: -234.088517 where: bonds (distance) C4'-P energy: -68.119 bonds (distance) P-C4' energy: -57.605 flat angles C4'-P-C4' energy: -51.951 flat angles P-C4'-P energy: -34.506 tors. eta vs tors. theta energy: -21.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -465.299722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.299722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.299722 (E_RNA) where: Base-Base interactions energy: -261.694 where: short stacking energy: -156.254 Base-Backbone interact. energy: -1.876 local terms energy: -201.729581 where: bonds (distance) C4'-P energy: -40.339 bonds (distance) P-C4' energy: -59.831 flat angles C4'-P-C4' energy: -56.568 flat angles P-C4'-P energy: -28.411 tors. eta vs tors. theta energy: -16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -288.834024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.834024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.834024 (E_RNA) where: Base-Base interactions energy: -101.966 where: short stacking energy: -85.329 Base-Backbone interact. energy: 2.461 local terms energy: -189.328836 where: bonds (distance) C4'-P energy: -52.426 bonds (distance) P-C4' energy: -52.560 flat angles C4'-P-C4' energy: -59.888 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: 14.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -268.755100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.755100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.755100 (E_RNA) where: Base-Base interactions energy: -99.411 where: short stacking energy: -64.774 Base-Backbone interact. energy: -1.800 local terms energy: -167.543905 where: bonds (distance) C4'-P energy: -57.891 bonds (distance) P-C4' energy: -56.716 flat angles C4'-P-C4' energy: -58.253 flat angles P-C4'-P energy: -21.385 tors. eta vs tors. theta energy: 26.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1059.997191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.997191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.997191 (E_RNA) where: Base-Base interactions energy: -703.829 where: short stacking energy: -339.665 Base-Backbone interact. energy: 0.418 local terms energy: -356.585639 where: bonds (distance) C4'-P energy: -69.583 bonds (distance) P-C4' energy: -70.469 flat angles C4'-P-C4' energy: -82.937 flat angles P-C4'-P energy: -42.228 tors. eta vs tors. theta energy: -91.368 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: 2, replica: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -969.213659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.213659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.213659 (E_RNA) where: Base-Base interactions energy: -634.316 where: short stacking energy: -293.885 Base-Backbone interact. energy: -0.964 local terms energy: -333.933539 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -65.790 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -70.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -922.604012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.604012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.604012 (E_RNA) where: Base-Base interactions energy: -606.345 where: short stacking energy: -277.839 Base-Backbone interact. energy: -2.662 local terms energy: -313.596055 where: bonds (distance) C4'-P energy: -60.304 bonds (distance) P-C4' energy: -59.860 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -55.894 tors. eta vs tors. theta energy: -70.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -843.731419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.731419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.731419 (E_RNA) where: Base-Base interactions energy: -542.670 where: short stacking energy: -271.365 Base-Backbone interact. energy: -1.660 local terms energy: -299.401139 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -56.270 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -59.832 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: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -726.765708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.765708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.765708 (E_RNA) where: Base-Base interactions energy: -436.297 where: short stacking energy: -240.753 Base-Backbone interact. energy: 0.086 local terms energy: -290.555321 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -60.593 flat angles C4'-P-C4' energy: -76.576 flat angles P-C4'-P energy: -39.340 tors. eta vs tors. theta energy: -55.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -747.561792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.561792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.561792 (E_RNA) where: Base-Base interactions energy: -459.606 where: short stacking energy: -219.303 Base-Backbone interact. energy: -2.005 local terms energy: -285.950326 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -68.060 flat angles C4'-P-C4' energy: -67.170 flat angles P-C4'-P energy: -40.543 tors. eta vs tors. theta energy: -48.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -487.870230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.870230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.870230 (E_RNA) where: Base-Base interactions energy: -267.514 where: short stacking energy: -141.761 Base-Backbone interact. energy: -0.742 local terms energy: -219.614806 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -54.028 flat angles C4'-P-C4' energy: -56.806 flat angles P-C4'-P energy: -26.283 tors. eta vs tors. theta energy: -24.925 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: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -513.832634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.832634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.832634 (E_RNA) where: Base-Base interactions energy: -287.599 where: short stacking energy: -143.779 Base-Backbone interact. energy: -0.919 local terms energy: -225.314262 where: bonds (distance) C4'-P energy: -54.482 bonds (distance) P-C4' energy: -64.040 flat angles C4'-P-C4' energy: -56.627 flat angles P-C4'-P energy: -33.026 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -316.348004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.348004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.348004 (E_RNA) where: Base-Base interactions energy: -117.396 where: short stacking energy: -75.317 Base-Backbone interact. energy: 1.259 local terms energy: -200.211101 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -57.000 flat angles C4'-P-C4' energy: -50.590 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: 2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -272.943506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.943506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.943506 (E_RNA) where: Base-Base interactions energy: -89.138 where: short stacking energy: -73.792 Base-Backbone interact. energy: -0.535 local terms energy: -183.270131 where: bonds (distance) C4'-P energy: -63.897 bonds (distance) P-C4' energy: -54.049 flat angles C4'-P-C4' energy: -44.426 flat angles P-C4'-P energy: -28.285 tors. eta vs tors. theta energy: 7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1054.728301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.728301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.728301 (E_RNA) where: Base-Base interactions energy: -701.016 where: short stacking energy: -332.965 Base-Backbone interact. energy: -4.906 local terms energy: -348.806702 where: bonds (distance) C4'-P energy: -59.757 bonds (distance) P-C4' energy: -65.299 flat angles C4'-P-C4' energy: -79.745 flat angles P-C4'-P energy: -48.953 tors. eta vs tors. theta energy: -95.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -979.536371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.536371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.536371 (E_RNA) where: Base-Base interactions energy: -627.020 where: short stacking energy: -331.074 Base-Backbone interact. energy: -0.491 local terms energy: -352.025228 where: bonds (distance) C4'-P energy: -59.740 bonds (distance) P-C4' energy: -75.673 flat angles C4'-P-C4' energy: -79.512 flat angles P-C4'-P energy: -44.297 tors. eta vs tors. theta energy: -92.804 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: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -923.988531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.988531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.988531 (E_RNA) where: Base-Base interactions energy: -606.683 where: short stacking energy: -276.800 Base-Backbone interact. energy: 0.318 local terms energy: -317.623891 where: bonds (distance) C4'-P energy: -63.436 bonds (distance) P-C4' energy: -69.999 flat angles C4'-P-C4' energy: -65.304 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: -76.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -833.435150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.435150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.435150 (E_RNA) where: Base-Base interactions energy: -546.928 where: short stacking energy: -218.548 Base-Backbone interact. energy: -1.755 local terms energy: -284.751846 where: bonds (distance) C4'-P energy: -54.642 bonds (distance) P-C4' energy: -69.019 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -40.493 tors. eta vs tors. theta energy: -52.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -796.732702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.732702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.732702 (E_RNA) where: Base-Base interactions energy: -495.982 where: short stacking energy: -239.302 Base-Backbone interact. energy: -0.332 local terms energy: -300.419339 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -64.890 flat angles C4'-P-C4' energy: -59.180 flat angles P-C4'-P energy: -45.590 tors. eta vs tors. theta energy: -63.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -682.078830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.078830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.078830 (E_RNA) where: Base-Base interactions energy: -406.517 where: short stacking energy: -206.073 Base-Backbone interact. energy: -2.506 local terms energy: -273.055146 where: bonds (distance) C4'-P energy: -49.720 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -48.224 tors. eta vs tors. theta energy: -47.299 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: 30 Temperature: 1.200000 Total energy: -505.435713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.435713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.435713 (E_RNA) where: Base-Base interactions energy: -261.281 where: short stacking energy: -155.161 Base-Backbone interact. energy: -0.433 local terms energy: -243.721794 where: bonds (distance) C4'-P energy: -47.230 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -45.996 tors. eta vs tors. theta energy: -21.913 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: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -524.344288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.344288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.344288 (E_RNA) where: Base-Base interactions energy: -289.876 where: short stacking energy: -155.422 Base-Backbone interact. energy: -0.540 local terms energy: -233.928393 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -71.853 flat angles C4'-P-C4' energy: -53.648 flat angles P-C4'-P energy: -28.137 tors. eta vs tors. theta energy: -20.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -328.304238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.304238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.304238 (E_RNA) where: Base-Base interactions energy: -132.324 where: short stacking energy: -121.899 Base-Backbone interact. energy: -0.860 local terms energy: -195.119771 where: bonds (distance) C4'-P energy: -53.945 bonds (distance) P-C4' energy: -48.378 flat angles C4'-P-C4' energy: -48.781 flat angles P-C4'-P energy: -26.889 tors. eta vs tors. theta energy: -17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -286.278248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.278248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.278248 (E_RNA) where: Base-Base interactions energy: -102.286 where: short stacking energy: -70.996 Base-Backbone interact. energy: -1.269 local terms energy: -182.723911 where: bonds (distance) C4'-P energy: -49.975 bonds (distance) P-C4' energy: -53.506 flat angles C4'-P-C4' energy: -49.625 flat angles P-C4'-P energy: -34.069 tors. eta vs tors. theta energy: 4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1033.983096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.983096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.983096 (E_RNA) where: Base-Base interactions energy: -676.971 where: short stacking energy: -322.897 Base-Backbone interact. energy: -1.699 local terms energy: -355.312702 where: bonds (distance) C4'-P energy: -73.586 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -73.748 flat angles P-C4'-P energy: -54.895 tors. eta vs tors. theta energy: -92.496 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: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -982.264481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.264481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.264481 (E_RNA) where: Base-Base interactions energy: -645.898 where: short stacking energy: -309.997 Base-Backbone interact. energy: -1.357 local terms energy: -335.009410 where: bonds (distance) C4'-P energy: -64.740 bonds (distance) P-C4' energy: -69.657 flat angles C4'-P-C4' energy: -69.255 flat angles P-C4'-P energy: -42.704 tors. eta vs tors. theta energy: -88.654 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: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -937.257887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.257887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.257887 (E_RNA) where: Base-Base interactions energy: -578.330 where: short stacking energy: -299.177 Base-Backbone interact. energy: -1.626 local terms energy: -357.301757 where: bonds (distance) C4'-P energy: -70.000 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -79.276 flat angles P-C4'-P energy: -50.337 tors. eta vs tors. theta energy: -85.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -856.954976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.954976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.954976 (E_RNA) where: Base-Base interactions energy: -554.366 where: short stacking energy: -256.753 Base-Backbone interact. energy: -1.869 local terms energy: -300.720160 where: bonds (distance) C4'-P energy: -67.588 bonds (distance) P-C4' energy: -63.795 flat angles C4'-P-C4' energy: -59.978 flat angles P-C4'-P energy: -49.881 tors. eta vs tors. theta energy: -59.478 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: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -840.482846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.482846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.482846 (E_RNA) where: Base-Base interactions energy: -538.089 where: short stacking energy: -253.774 Base-Backbone interact. energy: -1.998 local terms energy: -300.395636 where: bonds (distance) C4'-P energy: -61.433 bonds (distance) P-C4' energy: -59.269 flat angles C4'-P-C4' energy: -66.528 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -71.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -643.101145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.101145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.101145 (E_RNA) where: Base-Base interactions energy: -377.219 where: short stacking energy: -196.966 Base-Backbone interact. energy: -0.921 local terms energy: -264.961147 where: bonds (distance) C4'-P energy: -56.529 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -68.394 flat angles P-C4'-P energy: -45.018 tors. eta vs tors. theta energy: -37.451 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: 31 Temperature: 1.200000 Total energy: -532.893557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.893557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.893557 (E_RNA) where: Base-Base interactions energy: -299.403 where: short stacking energy: -160.305 Base-Backbone interact. energy: -1.625 local terms energy: -231.866250 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -69.792 flat angles C4'-P-C4' energy: -53.134 flat angles P-C4'-P energy: -22.581 tors. eta vs tors. theta energy: -22.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -455.848999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.848999 (E_RNA) where: Base-Base interactions energy: -213.533 where: short stacking energy: -122.662 Base-Backbone interact. energy: -1.080 local terms energy: -241.236255 where: bonds (distance) C4'-P energy: -62.840 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -37.033 tors. eta vs tors. theta energy: -19.875 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: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -328.322302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.322302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.322302 (E_RNA) where: Base-Base interactions energy: -130.949 where: short stacking energy: -87.580 Base-Backbone interact. energy: -2.334 local terms energy: -195.039658 where: bonds (distance) C4'-P energy: -61.357 bonds (distance) P-C4' energy: -49.459 flat angles C4'-P-C4' energy: -54.167 flat angles P-C4'-P energy: -28.460 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -272.474004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.474004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.474004 (E_RNA) where: Base-Base interactions energy: -97.259 where: short stacking energy: -84.339 Base-Backbone interact. energy: -0.920 local terms energy: -174.294933 where: bonds (distance) C4'-P energy: -58.309 bonds (distance) P-C4' energy: -54.335 flat angles C4'-P-C4' energy: -53.129 flat angles P-C4'-P energy: -24.655 tors. eta vs tors. theta energy: 16.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1045.222577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.222577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.222577 (E_RNA) where: Base-Base interactions energy: -680.145 where: short stacking energy: -305.751 Base-Backbone interact. energy: -3.161 local terms energy: -361.916623 where: bonds (distance) C4'-P energy: -79.317 bonds (distance) P-C4' energy: -75.194 flat angles C4'-P-C4' energy: -75.779 flat angles P-C4'-P energy: -41.320 tors. eta vs tors. theta energy: -90.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -962.525554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.525554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.525554 (E_RNA) where: Base-Base interactions energy: -623.323 where: short stacking energy: -304.514 Base-Backbone interact. energy: -0.009 local terms energy: -339.192864 where: bonds (distance) C4'-P energy: -73.175 bonds (distance) P-C4' energy: -66.288 flat angles C4'-P-C4' energy: -76.436 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: -84.097 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: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -907.949108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.949108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.949108 (E_RNA) where: Base-Base interactions energy: -587.589 where: short stacking energy: -240.295 Base-Backbone interact. energy: -0.301 local terms energy: -320.059207 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -74.962 flat angles C4'-P-C4' energy: -75.268 flat angles P-C4'-P energy: -33.096 tors. eta vs tors. theta energy: -71.690 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: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -881.212065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.212065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.212065 (E_RNA) where: Base-Base interactions energy: -575.967 where: short stacking energy: -260.824 Base-Backbone interact. energy: -1.622 local terms energy: -303.622878 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -59.981 flat angles C4'-P-C4' energy: -67.464 flat angles P-C4'-P energy: -51.247 tors. eta vs tors. theta energy: -63.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -890.945698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.945698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.945698 (E_RNA) where: Base-Base interactions energy: -566.995 where: short stacking energy: -257.841 Base-Backbone interact. energy: -1.883 local terms energy: -322.067413 where: bonds (distance) C4'-P energy: -61.886 bonds (distance) P-C4' energy: -72.038 flat angles C4'-P-C4' energy: -68.339 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: -70.815 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: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -707.217978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.217978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.217978 (E_RNA) where: Base-Base interactions energy: -441.324 where: short stacking energy: -220.010 Base-Backbone interact. energy: -2.056 local terms energy: -263.837603 where: bonds (distance) C4'-P energy: -44.461 bonds (distance) P-C4' energy: -67.335 flat angles C4'-P-C4' energy: -58.049 flat angles P-C4'-P energy: -43.704 tors. eta vs tors. theta energy: -50.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -543.770523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.770523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.770523 (E_RNA) where: Base-Base interactions energy: -291.972 where: short stacking energy: -172.790 Base-Backbone interact. energy: -1.385 local terms energy: -250.413426 where: bonds (distance) C4'-P energy: -62.724 bonds (distance) P-C4' energy: -51.372 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -31.049 tors. eta vs tors. theta energy: -38.450 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: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -467.848248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.848248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.848248 (E_RNA) where: Base-Base interactions energy: -279.219 where: short stacking energy: -162.403 Base-Backbone interact. energy: -0.947 local terms energy: -187.682700 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -50.907 flat angles C4'-P-C4' energy: -35.309 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: -13.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -344.538743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.538743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.538743 (E_RNA) where: Base-Base interactions energy: -173.309 where: short stacking energy: -104.958 Base-Backbone interact. energy: -0.831 local terms energy: -170.398197 where: bonds (distance) C4'-P energy: -46.855 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -61.634 flat angles P-C4'-P energy: -22.566 tors. eta vs tors. theta energy: 17.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -299.266397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.266397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.266397 (E_RNA) where: Base-Base interactions energy: -138.263 where: short stacking energy: -80.602 Base-Backbone interact. energy: -3.003 local terms energy: -158.000265 where: bonds (distance) C4'-P energy: -50.691 bonds (distance) P-C4' energy: -54.100 flat angles C4'-P-C4' energy: -48.318 flat angles P-C4'-P energy: -18.687 tors. eta vs tors. theta energy: 13.795 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: 33 Temperature: 0.900000 Total energy: -1055.042855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.042855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.042855 (E_RNA) where: Base-Base interactions energy: -702.916 where: short stacking energy: -315.937 Base-Backbone interact. energy: -3.052 local terms energy: -349.074275 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -67.487 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -44.879 tors. eta vs tors. theta energy: -95.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -979.696851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.696851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.696851 (E_RNA) where: Base-Base interactions energy: -637.570 where: short stacking energy: -297.027 Base-Backbone interact. energy: -2.723 local terms energy: -339.404158 where: bonds (distance) C4'-P energy: -70.843 bonds (distance) P-C4' energy: -73.529 flat angles C4'-P-C4' energy: -66.766 flat angles P-C4'-P energy: -43.459 tors. eta vs tors. theta energy: -84.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -920.887879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.887879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.887879 (E_RNA) where: Base-Base interactions energy: -586.568 where: short stacking energy: -279.705 Base-Backbone interact. energy: -2.203 local terms energy: -332.117221 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -66.753 flat angles P-C4'-P energy: -42.707 tors. eta vs tors. theta energy: -79.309 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: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -891.981496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.981496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.981496 (E_RNA) where: Base-Base interactions energy: -585.238 where: short stacking energy: -253.079 Base-Backbone interact. energy: -1.288 local terms energy: -305.455434 where: bonds (distance) C4'-P energy: -57.201 bonds (distance) P-C4' energy: -66.726 flat angles C4'-P-C4' energy: -70.416 flat angles P-C4'-P energy: -47.409 tors. eta vs tors. theta energy: -63.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -848.455671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.455671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.455671 (E_RNA) where: Base-Base interactions energy: -545.220 where: short stacking energy: -232.022 Base-Backbone interact. energy: -1.047 local terms energy: -302.188408 where: bonds (distance) C4'-P energy: -64.568 bonds (distance) P-C4' energy: -60.525 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -36.108 tors. eta vs tors. theta energy: -68.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -659.415465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.415465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.415465 (E_RNA) where: Base-Base interactions energy: -409.389 where: short stacking energy: -185.053 Base-Backbone interact. energy: -1.165 local terms energy: -248.861687 where: bonds (distance) C4'-P energy: -59.644 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -53.995 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -26.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -618.680779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.680779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.680779 (E_RNA) where: Base-Base interactions energy: -353.690 where: short stacking energy: -189.194 Base-Backbone interact. energy: -1.039 local terms energy: -263.952066 where: bonds (distance) C4'-P energy: -65.826 bonds (distance) P-C4' energy: -53.665 flat angles C4'-P-C4' energy: -58.171 flat angles P-C4'-P energy: -37.694 tors. eta vs tors. theta energy: -48.596 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: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -451.393264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.393264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.393264 (E_RNA) where: Base-Base interactions energy: -243.229 where: short stacking energy: -114.983 Base-Backbone interact. energy: -2.076 local terms energy: -206.088999 where: bonds (distance) C4'-P energy: -59.048 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -48.653 flat angles P-C4'-P energy: -37.417 tors. eta vs tors. theta energy: -1.444 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: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -403.086341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.086341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.086341 (E_RNA) where: Base-Base interactions energy: -191.875 where: short stacking energy: -116.310 Base-Backbone interact. energy: -2.414 local terms energy: -208.797045 where: bonds (distance) C4'-P energy: -53.452 bonds (distance) P-C4' energy: -58.998 flat angles C4'-P-C4' energy: -50.649 flat angles P-C4'-P energy: -38.581 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -305.302659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.302659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.302659 (E_RNA) where: Base-Base interactions energy: -128.164 where: short stacking energy: -104.494 Base-Backbone interact. energy: -0.774 local terms energy: -176.364472 where: bonds (distance) C4'-P energy: -62.297 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -32.817 flat angles P-C4'-P energy: -23.043 tors. eta vs tors. theta energy: -4.435 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: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1074.879848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.879848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.879848 (E_RNA) where: Base-Base interactions energy: -719.776 where: short stacking energy: -308.023 Base-Backbone interact. energy: -0.451 local terms energy: -354.653434 where: bonds (distance) C4'-P energy: -70.492 bonds (distance) P-C4' energy: -76.673 flat angles C4'-P-C4' energy: -71.527 flat angles P-C4'-P energy: -43.582 tors. eta vs tors. theta energy: -92.379 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: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1012.456988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.456988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.456988 (E_RNA) where: Base-Base interactions energy: -647.347 where: short stacking energy: -301.830 Base-Backbone interact. energy: -3.177 local terms energy: -361.933181 where: bonds (distance) C4'-P energy: -72.465 bonds (distance) P-C4' energy: -63.571 flat angles C4'-P-C4' energy: -79.252 flat angles P-C4'-P energy: -51.871 tors. eta vs tors. theta energy: -94.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -920.676801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.676801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.676801 (E_RNA) where: Base-Base interactions energy: -605.662 where: short stacking energy: -262.668 Base-Backbone interact. energy: -2.004 local terms energy: -313.010360 where: bonds (distance) C4'-P energy: -58.624 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -76.404 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -69.763 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: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -913.615463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.615463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.615463 (E_RNA) where: Base-Base interactions energy: -594.964 where: short stacking energy: -272.742 Base-Backbone interact. energy: -0.216 local terms energy: -318.436102 where: bonds (distance) C4'-P energy: -63.703 bonds (distance) P-C4' energy: -64.761 flat angles C4'-P-C4' energy: -66.932 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -78.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -817.038592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.038592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.038592 (E_RNA) where: Base-Base interactions energy: -526.078 where: short stacking energy: -249.550 Base-Backbone interact. energy: -0.773 local terms energy: -290.187158 where: bonds (distance) C4'-P energy: -47.704 bonds (distance) P-C4' energy: -74.252 flat angles C4'-P-C4' energy: -55.792 flat angles P-C4'-P energy: -47.662 tors. eta vs tors. theta energy: -64.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -651.509321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.509321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.509321 (E_RNA) where: Base-Base interactions energy: -374.319 where: short stacking energy: -188.809 Base-Backbone interact. energy: 0.827 local terms energy: -278.017447 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -61.896 flat angles C4'-P-C4' energy: -57.710 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -48.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -567.456949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.456949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.456949 (E_RNA) where: Base-Base interactions energy: -328.669 where: short stacking energy: -157.910 Base-Backbone interact. energy: -1.165 local terms energy: -237.623188 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -47.033 flat angles P-C4'-P energy: -30.584 tors. eta vs tors. theta energy: -36.752 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: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -477.416608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.416608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.416608 (E_RNA) where: Base-Base interactions energy: -250.246 where: short stacking energy: -145.968 Base-Backbone interact. energy: 3.752 local terms energy: -230.922267 where: bonds (distance) C4'-P energy: -59.797 bonds (distance) P-C4' energy: -64.351 flat angles C4'-P-C4' energy: -52.507 flat angles P-C4'-P energy: -37.817 tors. eta vs tors. theta energy: -16.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -435.573188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.573188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.573188 (E_RNA) where: Base-Base interactions energy: -215.346 where: short stacking energy: -123.721 Base-Backbone interact. energy: 3.213 local terms energy: -223.439489 where: bonds (distance) C4'-P energy: -58.587 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -56.126 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -293.663336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.663336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.663336 (E_RNA) where: Base-Base interactions energy: -88.340 where: short stacking energy: -74.546 Base-Backbone interact. energy: -0.448 local terms energy: -204.875152 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -58.517 flat angles C4'-P-C4' energy: -60.051 flat angles P-C4'-P energy: -28.519 tors. eta vs tors. theta energy: 0.280 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: 35 Temperature: 0.900000 Total energy: -1064.664027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.664027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.664027 (E_RNA) where: Base-Base interactions energy: -718.882 where: short stacking energy: -328.031 Base-Backbone interact. energy: -1.234 local terms energy: -344.547703 where: bonds (distance) C4'-P energy: -57.418 bonds (distance) P-C4' energy: -70.224 flat angles C4'-P-C4' energy: -78.130 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -91.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -989.183494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.183494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.183494 (E_RNA) where: Base-Base interactions energy: -646.800 where: short stacking energy: -291.386 Base-Backbone interact. energy: -1.921 local terms energy: -340.462593 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -74.571 flat angles P-C4'-P energy: -44.622 tors. eta vs tors. theta energy: -90.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -927.257066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.257066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.257066 (E_RNA) where: Base-Base interactions energy: -610.089 where: short stacking energy: -303.519 Base-Backbone interact. energy: -1.680 local terms energy: -315.488613 where: bonds (distance) C4'-P energy: -62.019 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -78.908 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: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -878.956372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.956372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.956372 (E_RNA) where: Base-Base interactions energy: -577.795 where: short stacking energy: -253.749 Base-Backbone interact. energy: -1.377 local terms energy: -299.784235 where: bonds (distance) C4'-P energy: -74.072 bonds (distance) P-C4' energy: -56.646 flat angles C4'-P-C4' energy: -73.297 flat angles P-C4'-P energy: -38.523 tors. eta vs tors. theta energy: -57.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -824.001984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.001984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.001984 (E_RNA) where: Base-Base interactions energy: -542.563 where: short stacking energy: -262.633 Base-Backbone interact. energy: 0.690 local terms energy: -282.128581 where: bonds (distance) C4'-P energy: -44.591 bonds (distance) P-C4' energy: -68.277 flat angles C4'-P-C4' energy: -66.804 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -60.626 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: 2 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -695.862469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.862469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.862469 (E_RNA) where: Base-Base interactions energy: -414.120 where: short stacking energy: -186.600 Base-Backbone interact. energy: 1.732 local terms energy: -283.474567 where: bonds (distance) C4'-P energy: -66.330 bonds (distance) P-C4' energy: -63.828 flat angles C4'-P-C4' energy: -66.572 flat angles P-C4'-P energy: -48.347 tors. eta vs tors. theta energy: -38.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -615.785216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.785216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.785216 (E_RNA) where: Base-Base interactions energy: -374.671 where: short stacking energy: -183.959 Base-Backbone interact. energy: 0.578 local terms energy: -241.691654 where: bonds (distance) C4'-P energy: -54.028 bonds (distance) P-C4' energy: -54.012 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -31.231 tors. eta vs tors. theta energy: -43.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -455.284593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.284593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.284593 (E_RNA) where: Base-Base interactions energy: -242.135 where: short stacking energy: -129.846 Base-Backbone interact. energy: -1.359 local terms energy: -211.790669 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -48.893 flat angles C4'-P-C4' energy: -46.322 flat angles P-C4'-P energy: -35.890 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -418.736207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.736207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.736207 (E_RNA) where: Base-Base interactions energy: -230.742 where: short stacking energy: -110.310 Base-Backbone interact. energy: -1.071 local terms energy: -186.923647 where: bonds (distance) C4'-P energy: -42.421 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -54.973 flat angles P-C4'-P energy: -39.342 tors. eta vs tors. theta energy: 9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -275.089155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.089155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.089155 (E_RNA) where: Base-Base interactions energy: -95.640 where: short stacking energy: -62.264 Base-Backbone interact. energy: 2.507 local terms energy: -181.955256 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -56.394 flat angles C4'-P-C4' energy: -55.491 flat angles P-C4'-P energy: -26.087 tors. eta vs tors. theta energy: 14.051 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: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1082.601364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.601364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.601364 (E_RNA) where: Base-Base interactions energy: -715.389 where: short stacking energy: -331.285 Base-Backbone interact. energy: -0.753 local terms energy: -366.459453 where: bonds (distance) C4'-P energy: -65.435 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -75.653 flat angles P-C4'-P energy: -57.040 tors. eta vs tors. theta energy: -103.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1015.386910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.386910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.386910 (E_RNA) where: Base-Base interactions energy: -684.457 where: short stacking energy: -313.426 Base-Backbone interact. energy: -0.431 local terms energy: -330.498723 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -59.046 flat angles C4'-P-C4' energy: -67.793 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -84.530 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: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -899.865497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.865497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.865497 (E_RNA) where: Base-Base interactions energy: -590.404 where: short stacking energy: -268.556 Base-Backbone interact. energy: -0.702 local terms energy: -308.759519 where: bonds (distance) C4'-P energy: -52.232 bonds (distance) P-C4' energy: -61.858 flat angles C4'-P-C4' energy: -74.257 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -74.891 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: 36 Temperature: 1.050000 Total energy: -921.899713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.899713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.899713 (E_RNA) where: Base-Base interactions energy: -620.893 where: short stacking energy: -282.327 Base-Backbone interact. energy: 1.962 local terms energy: -302.968974 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -61.332 flat angles C4'-P-C4' energy: -71.951 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -68.281 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: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -794.257041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.257041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.257041 (E_RNA) where: Base-Base interactions energy: -507.507 where: short stacking energy: -250.915 Base-Backbone interact. energy: 0.581 local terms energy: -287.330791 where: bonds (distance) C4'-P energy: -63.600 bonds (distance) P-C4' energy: -58.458 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -52.556 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: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -687.963229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.963229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.963229 (E_RNA) where: Base-Base interactions energy: -416.835 where: short stacking energy: -189.927 Base-Backbone interact. energy: 3.098 local terms energy: -274.226100 where: bonds (distance) C4'-P energy: -58.344 bonds (distance) P-C4' energy: -59.643 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -48.873 tors. eta vs tors. theta energy: -38.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -604.035560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.035560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.035560 (E_RNA) where: Base-Base interactions energy: -341.403 where: short stacking energy: -182.247 Base-Backbone interact. energy: -0.589 local terms energy: -262.043424 where: bonds (distance) C4'-P energy: -48.414 bonds (distance) P-C4' energy: -72.173 flat angles C4'-P-C4' energy: -71.792 flat angles P-C4'-P energy: -43.819 tors. eta vs tors. theta energy: -25.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -463.368318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.368318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.368318 (E_RNA) where: Base-Base interactions energy: -210.733 where: short stacking energy: -132.277 Base-Backbone interact. energy: 0.277 local terms energy: -252.912374 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -54.647 flat angles C4'-P-C4' energy: -63.864 flat angles P-C4'-P energy: -43.496 tors. eta vs tors. theta energy: -23.330 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: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -361.963566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.963566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.963566 (E_RNA) where: Base-Base interactions energy: -167.824 where: short stacking energy: -97.283 Base-Backbone interact. energy: -1.148 local terms energy: -192.991244 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -37.463 flat angles P-C4'-P energy: -31.357 tors. eta vs tors. theta energy: 1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -280.348921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.348921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.348921 (E_RNA) where: Base-Base interactions energy: -98.191 where: short stacking energy: -67.063 Base-Backbone interact. energy: 1.753 local terms energy: -183.911288 where: bonds (distance) C4'-P energy: -65.060 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -48.385 flat angles P-C4'-P energy: -24.636 tors. eta vs tors. theta energy: 19.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1066.519213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.519213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.519213 (E_RNA) where: Base-Base interactions energy: -726.178 where: short stacking energy: -323.622 Base-Backbone interact. energy: 0.431 local terms energy: -340.771557 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -57.589 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -100.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -995.031501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.031501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.031501 (E_RNA) where: Base-Base interactions energy: -668.710 where: short stacking energy: -296.264 Base-Backbone interact. energy: -3.848 local terms energy: -322.473706 where: bonds (distance) C4'-P energy: -46.804 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -75.147 flat angles P-C4'-P energy: -43.617 tors. eta vs tors. theta energy: -87.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -916.125685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.125685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.125685 (E_RNA) where: Base-Base interactions energy: -604.621 where: short stacking energy: -254.751 Base-Backbone interact. energy: -2.670 local terms energy: -308.835232 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -65.885 flat angles C4'-P-C4' energy: -66.386 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: -72.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -907.861065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.861065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.861065 (E_RNA) where: Base-Base interactions energy: -599.116 where: short stacking energy: -277.205 Base-Backbone interact. energy: -0.837 local terms energy: -307.907333 where: bonds (distance) C4'-P energy: -60.903 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -68.641 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -76.651 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: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -818.135348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.135348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.135348 (E_RNA) where: Base-Base interactions energy: -511.939 where: short stacking energy: -238.425 Base-Backbone interact. energy: -1.446 local terms energy: -304.750473 where: bonds (distance) C4'-P energy: -62.733 bonds (distance) P-C4' energy: -68.891 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -65.335 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: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -679.612907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.612907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.612907 (E_RNA) where: Base-Base interactions energy: -425.579 where: short stacking energy: -208.852 Base-Backbone interact. energy: -1.547 local terms energy: -252.487226 where: bonds (distance) C4'-P energy: -53.055 bonds (distance) P-C4' energy: -53.348 flat angles C4'-P-C4' energy: -59.820 flat angles P-C4'-P energy: -40.970 tors. eta vs tors. theta energy: -45.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -602.326353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.326353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.326353 (E_RNA) where: Base-Base interactions energy: -366.775 where: short stacking energy: -167.859 Base-Backbone interact. energy: -0.323 local terms energy: -235.228547 where: bonds (distance) C4'-P energy: -56.677 bonds (distance) P-C4' energy: -56.280 flat angles C4'-P-C4' energy: -54.823 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -22.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -469.797963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.797963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.797963 (E_RNA) where: Base-Base interactions energy: -243.185 where: short stacking energy: -143.843 Base-Backbone interact. energy: 1.365 local terms energy: -227.978530 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -62.287 flat angles C4'-P-C4' energy: -52.616 flat angles P-C4'-P energy: -40.321 tors. eta vs tors. theta energy: -16.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -352.866018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.866018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.866018 (E_RNA) where: Base-Base interactions energy: -157.981 where: short stacking energy: -107.761 Base-Backbone interact. energy: -1.808 local terms energy: -193.077238 where: bonds (distance) C4'-P energy: -52.562 bonds (distance) P-C4' energy: -55.027 flat angles C4'-P-C4' energy: -50.580 flat angles P-C4'-P energy: -24.268 tors. eta vs tors. theta energy: -10.640 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: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -299.330783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.330783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.330783 (E_RNA) where: Base-Base interactions energy: -91.116 where: short stacking energy: -77.038 Base-Backbone interact. energy: -1.265 local terms energy: -206.949531 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -60.393 flat angles C4'-P-C4' energy: -49.043 flat angles P-C4'-P energy: -24.759 tors. eta vs tors. theta energy: -10.861 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: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1082.051091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.051091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.051091 (E_RNA) where: Base-Base interactions energy: -720.238 where: short stacking energy: -336.362 Base-Backbone interact. energy: -2.465 local terms energy: -359.348197 where: bonds (distance) C4'-P energy: -57.641 bonds (distance) P-C4' energy: -71.938 flat angles C4'-P-C4' energy: -77.078 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -99.280 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: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1006.184599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.184599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.184599 (E_RNA) where: Base-Base interactions energy: -673.210 where: short stacking energy: -297.175 Base-Backbone interact. energy: -1.511 local terms energy: -331.464443 where: bonds (distance) C4'-P energy: -65.072 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -69.065 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: -85.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -933.484473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.484473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.484473 (E_RNA) where: Base-Base interactions energy: -610.629 where: short stacking energy: -282.495 Base-Backbone interact. energy: -0.988 local terms energy: -321.867126 where: bonds (distance) C4'-P energy: -63.413 bonds (distance) P-C4' energy: -69.755 flat angles C4'-P-C4' energy: -69.358 flat angles P-C4'-P energy: -36.171 tors. eta vs tors. theta energy: -83.170 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: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -865.873969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.873969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.873969 (E_RNA) where: Base-Base interactions energy: -559.052 where: short stacking energy: -246.104 Base-Backbone interact. energy: 4.821 local terms energy: -311.643035 where: bonds (distance) C4'-P energy: -62.449 bonds (distance) P-C4' energy: -62.669 flat angles C4'-P-C4' energy: -74.207 flat angles P-C4'-P energy: -51.493 tors. eta vs tors. theta energy: -60.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -832.329032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.329032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.329032 (E_RNA) where: Base-Base interactions energy: -527.598 where: short stacking energy: -252.067 Base-Backbone interact. energy: -1.684 local terms energy: -303.047290 where: bonds (distance) C4'-P energy: -63.204 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -76.235 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: -58.455 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: 38 Temperature: 1.150000 Total energy: -692.536004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.536004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.536004 (E_RNA) where: Base-Base interactions energy: -420.672 where: short stacking energy: -190.853 Base-Backbone interact. energy: -3.013 local terms energy: -268.850943 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -66.859 flat angles P-C4'-P energy: -36.090 tors. eta vs tors. theta energy: -45.435 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: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -607.296000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.296000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.296000 (E_RNA) where: Base-Base interactions energy: -361.714 where: short stacking energy: -183.768 Base-Backbone interact. energy: 0.357 local terms energy: -245.938377 where: bonds (distance) C4'-P energy: -48.166 bonds (distance) P-C4' energy: -61.074 flat angles C4'-P-C4' energy: -57.808 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -38.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -427.312983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.312983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.312983 (E_RNA) where: Base-Base interactions energy: -210.304 where: short stacking energy: -125.869 Base-Backbone interact. energy: -1.134 local terms energy: -215.875041 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -55.157 flat angles C4'-P-C4' energy: -53.400 flat angles P-C4'-P energy: -31.943 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: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -308.991229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.991229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.991229 (E_RNA) where: Base-Base interactions energy: -107.810 where: short stacking energy: -80.724 Base-Backbone interact. energy: 0.298 local terms energy: -201.478979 where: bonds (distance) C4'-P energy: -67.116 bonds (distance) P-C4' energy: -62.977 flat angles C4'-P-C4' energy: -49.485 flat angles P-C4'-P energy: -30.044 tors. eta vs tors. theta energy: 8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -278.229413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.229413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.229413 (E_RNA) where: Base-Base interactions energy: -96.888 where: short stacking energy: -76.211 Base-Backbone interact. energy: 2.443 local terms energy: -183.784290 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -58.959 flat angles C4'-P-C4' energy: -58.828 flat angles P-C4'-P energy: -29.776 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: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1066.898262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.898262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.898262 (E_RNA) where: Base-Base interactions energy: -702.856 where: short stacking energy: -324.337 Base-Backbone interact. energy: -1.916 local terms energy: -362.125617 where: bonds (distance) C4'-P energy: -69.514 bonds (distance) P-C4' energy: -70.323 flat angles C4'-P-C4' energy: -75.613 flat angles P-C4'-P energy: -58.589 tors. eta vs tors. theta energy: -88.087 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: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1006.176296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.176296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.176296 (E_RNA) where: Base-Base interactions energy: -653.045 where: short stacking energy: -313.741 Base-Backbone interact. energy: -1.827 local terms energy: -351.304697 where: bonds (distance) C4'-P energy: -71.393 bonds (distance) P-C4' energy: -67.917 flat angles C4'-P-C4' energy: -78.429 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -86.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -922.802313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.802313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.802313 (E_RNA) where: Base-Base interactions energy: -606.655 where: short stacking energy: -264.299 Base-Backbone interact. energy: -1.384 local terms energy: -314.762771 where: bonds (distance) C4'-P energy: -62.709 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -67.175 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: -79.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -899.593017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.593017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.593017 (E_RNA) where: Base-Base interactions energy: -570.654 where: short stacking energy: -238.355 Base-Backbone interact. energy: -2.873 local terms energy: -326.066682 where: bonds (distance) C4'-P energy: -58.771 bonds (distance) P-C4' energy: -66.966 flat angles C4'-P-C4' energy: -74.270 flat angles P-C4'-P energy: -50.249 tors. eta vs tors. theta energy: -75.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -835.789757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.789757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.789757 (E_RNA) where: Base-Base interactions energy: -537.885 where: short stacking energy: -257.822 Base-Backbone interact. energy: 2.774 local terms energy: -300.678985 where: bonds (distance) C4'-P energy: -67.602 bonds (distance) P-C4' energy: -66.627 flat angles C4'-P-C4' energy: -62.642 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -64.315 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: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -713.691254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.691254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.691254 (E_RNA) where: Base-Base interactions energy: -451.713 where: short stacking energy: -200.976 Base-Backbone interact. energy: -1.113 local terms energy: -260.864898 where: bonds (distance) C4'-P energy: -64.091 bonds (distance) P-C4' energy: -63.893 flat angles C4'-P-C4' energy: -54.204 flat angles P-C4'-P energy: -31.651 tors. eta vs tors. theta energy: -47.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -684.110125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.110125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.110125 (E_RNA) where: Base-Base interactions energy: -406.639 where: short stacking energy: -209.269 Base-Backbone interact. energy: -0.638 local terms energy: -276.833669 where: bonds (distance) C4'-P energy: -54.531 bonds (distance) P-C4' energy: -58.422 flat angles C4'-P-C4' energy: -65.896 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -50.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -437.737110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.737110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.737110 (E_RNA) where: Base-Base interactions energy: -225.915 where: short stacking energy: -143.846 Base-Backbone interact. energy: -0.110 local terms energy: -211.712691 where: bonds (distance) C4'-P energy: -62.128 bonds (distance) P-C4' energy: -68.224 flat angles C4'-P-C4' energy: -40.159 flat angles P-C4'-P energy: -22.261 tors. eta vs tors. theta energy: -18.941 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: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -309.143448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.143448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.143448 (E_RNA) where: Base-Base interactions energy: -101.007 where: short stacking energy: -96.495 Base-Backbone interact. energy: -1.555 local terms energy: -206.581928 where: bonds (distance) C4'-P energy: -51.651 bonds (distance) P-C4' energy: -61.468 flat angles C4'-P-C4' energy: -56.316 flat angles P-C4'-P energy: -37.477 tors. eta vs tors. theta energy: 0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -281.405784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.405784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.405784 (E_RNA) where: Base-Base interactions energy: -89.984 where: short stacking energy: -82.039 Base-Backbone interact. energy: -1.180 local terms energy: -190.242440 where: bonds (distance) C4'-P energy: -46.019 bonds (distance) P-C4' energy: -62.258 flat angles C4'-P-C4' energy: -48.945 flat angles P-C4'-P energy: -33.199 tors. eta vs tors. theta energy: 0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1060.300875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.300875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.300875 (E_RNA) where: Base-Base interactions energy: -701.231 where: short stacking energy: -303.343 Base-Backbone interact. energy: -0.537 local terms energy: -358.533645 where: bonds (distance) C4'-P energy: -70.180 bonds (distance) P-C4' energy: -69.690 flat angles C4'-P-C4' energy: -77.375 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: -90.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -992.684947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.684947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.684947 (E_RNA) where: Base-Base interactions energy: -654.641 where: short stacking energy: -300.078 Base-Backbone interact. energy: -2.226 local terms energy: -335.817697 where: bonds (distance) C4'-P energy: -59.878 bonds (distance) P-C4' energy: -68.827 flat angles C4'-P-C4' energy: -76.267 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -81.578 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: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -922.065832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.065832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.065832 (E_RNA) where: Base-Base interactions energy: -582.022 where: short stacking energy: -255.687 Base-Backbone interact. energy: -1.148 local terms energy: -338.896410 where: bonds (distance) C4'-P energy: -68.910 bonds (distance) P-C4' energy: -70.189 flat angles C4'-P-C4' energy: -80.525 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -72.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -887.282190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.282190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.282190 (E_RNA) where: Base-Base interactions energy: -590.847 where: short stacking energy: -267.506 Base-Backbone interact. energy: 0.202 local terms energy: -296.636418 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -60.604 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: -64.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -709.291388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.291388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.291388 (E_RNA) where: Base-Base interactions energy: -445.360 where: short stacking energy: -208.447 Base-Backbone interact. energy: -0.721 local terms energy: -263.210160 where: bonds (distance) C4'-P energy: -60.496 bonds (distance) P-C4' energy: -55.818 flat angles C4'-P-C4' energy: -62.316 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -42.651 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: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -748.397083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.397083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.397083 (E_RNA) where: Base-Base interactions energy: -476.333 where: short stacking energy: -219.443 Base-Backbone interact. energy: -0.629 local terms energy: -271.435312 where: bonds (distance) C4'-P energy: -63.181 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -59.171 flat angles P-C4'-P energy: -41.320 tors. eta vs tors. theta energy: -45.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -696.236477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.236477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.236477 (E_RNA) where: Base-Base interactions energy: -427.561 where: short stacking energy: -206.694 Base-Backbone interact. energy: 0.184 local terms energy: -268.859557 where: bonds (distance) C4'-P energy: -51.928 bonds (distance) P-C4' energy: -54.448 flat angles C4'-P-C4' energy: -64.125 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -54.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -445.650090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.650090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.650090 (E_RNA) where: Base-Base interactions energy: -237.964 where: short stacking energy: -145.758 Base-Backbone interact. energy: -0.497 local terms energy: -207.189239 where: bonds (distance) C4'-P energy: -55.314 bonds (distance) P-C4' energy: -63.778 flat angles C4'-P-C4' energy: -49.621 flat angles P-C4'-P energy: -31.550 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -295.441796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.441796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.441796 (E_RNA) where: Base-Base interactions energy: -114.060 where: short stacking energy: -92.128 Base-Backbone interact. energy: -0.309 local terms energy: -181.073173 where: bonds (distance) C4'-P energy: -43.728 bonds (distance) P-C4' energy: -65.389 flat angles C4'-P-C4' energy: -55.603 flat angles P-C4'-P energy: -28.368 tors. eta vs tors. theta energy: 12.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -264.937383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.937383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.937383 (E_RNA) where: Base-Base interactions energy: -83.844 where: short stacking energy: -76.301 Base-Backbone interact. energy: 0.725 local terms energy: -181.818562 where: bonds (distance) C4'-P energy: -48.529 bonds (distance) P-C4' energy: -54.081 flat angles C4'-P-C4' energy: -40.317 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: 4.930 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: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1062.351633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.351633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.351633 (E_RNA) where: Base-Base interactions energy: -706.052 where: short stacking energy: -327.459 Base-Backbone interact. energy: -2.754 local terms energy: -353.546014 where: bonds (distance) C4'-P energy: -61.873 bonds (distance) P-C4' energy: -67.154 flat angles C4'-P-C4' energy: -76.210 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -101.578 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: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -992.548673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.548673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.548673 (E_RNA) where: Base-Base interactions energy: -662.940 where: short stacking energy: -304.499 Base-Backbone interact. energy: -3.778 local terms energy: -325.831063 where: bonds (distance) C4'-P energy: -68.012 bonds (distance) P-C4' energy: -73.624 flat angles C4'-P-C4' energy: -70.354 flat angles P-C4'-P energy: -35.571 tors. eta vs tors. theta energy: -78.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -950.615989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.615989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.615989 (E_RNA) where: Base-Base interactions energy: -612.467 where: short stacking energy: -281.000 Base-Backbone interact. energy: -0.155 local terms energy: -337.994049 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -68.330 flat angles C4'-P-C4' energy: -74.095 flat angles P-C4'-P energy: -39.392 tors. eta vs tors. theta energy: -84.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -900.840632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.840632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.840632 (E_RNA) where: Base-Base interactions energy: -575.880 where: short stacking energy: -259.373 Base-Backbone interact. energy: -1.062 local terms energy: -323.898838 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -60.796 flat angles C4'-P-C4' energy: -74.896 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -72.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -763.373520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.373520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.373520 (E_RNA) where: Base-Base interactions energy: -475.538 where: short stacking energy: -219.736 Base-Backbone interact. energy: 0.060 local terms energy: -287.895620 where: bonds (distance) C4'-P energy: -50.513 bonds (distance) P-C4' energy: -74.589 flat angles C4'-P-C4' energy: -55.704 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -60.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -802.156225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.156225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.156225 (E_RNA) where: Base-Base interactions energy: -505.982 where: short stacking energy: -238.568 Base-Backbone interact. energy: -0.075 local terms energy: -296.098964 where: bonds (distance) C4'-P energy: -67.414 bonds (distance) P-C4' energy: -63.327 flat angles C4'-P-C4' energy: -67.557 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -56.804 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: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -688.119503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.119503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.119503 (E_RNA) where: Base-Base interactions energy: -436.269 where: short stacking energy: -214.546 Base-Backbone interact. energy: 2.218 local terms energy: -254.068637 where: bonds (distance) C4'-P energy: -51.337 bonds (distance) P-C4' energy: -61.493 flat angles C4'-P-C4' energy: -53.822 flat angles P-C4'-P energy: -39.154 tors. eta vs tors. theta energy: -48.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -478.594430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.594430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.594430 (E_RNA) where: Base-Base interactions energy: -246.434 where: short stacking energy: -124.758 Base-Backbone interact. energy: -2.087 local terms energy: -230.073589 where: bonds (distance) C4'-P energy: -62.036 bonds (distance) P-C4' energy: -68.683 flat angles C4'-P-C4' energy: -48.708 flat angles P-C4'-P energy: -34.437 tors. eta vs tors. theta energy: -16.210 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: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -322.942761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.942761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.942761 (E_RNA) where: Base-Base interactions energy: -143.138 where: short stacking energy: -113.070 Base-Backbone interact. energy: -2.102 local terms energy: -177.702641 where: bonds (distance) C4'-P energy: -59.350 bonds (distance) P-C4' energy: -48.498 flat angles C4'-P-C4' energy: -45.698 flat angles P-C4'-P energy: -29.953 tors. eta vs tors. theta energy: 5.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -289.424415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.424415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.424415 (E_RNA) where: Base-Base interactions energy: -118.802 where: short stacking energy: -79.577 Base-Backbone interact. energy: -2.988 local terms energy: -167.634674 where: bonds (distance) C4'-P energy: -50.277 bonds (distance) P-C4' energy: -53.659 flat angles C4'-P-C4' energy: -60.141 flat angles P-C4'-P energy: -22.746 tors. eta vs tors. theta energy: 19.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1055.779744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.779744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.779744 (E_RNA) where: Base-Base interactions energy: -712.626 where: short stacking energy: -314.875 Base-Backbone interact. energy: -2.540 local terms energy: -340.614390 where: bonds (distance) C4'-P energy: -74.987 bonds (distance) P-C4' energy: -59.510 flat angles C4'-P-C4' energy: -75.212 flat angles P-C4'-P energy: -48.044 tors. eta vs tors. theta energy: -82.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -995.821148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.821148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.821148 (E_RNA) where: Base-Base interactions energy: -667.530 where: short stacking energy: -291.426 Base-Backbone interact. energy: -1.108 local terms energy: -327.183871 where: bonds (distance) C4'-P energy: -69.544 bonds (distance) P-C4' energy: -65.294 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: -79.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -967.407368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.407368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.407368 (E_RNA) where: Base-Base interactions energy: -625.863 where: short stacking energy: -275.106 Base-Backbone interact. energy: 0.983 local terms energy: -342.527437 where: bonds (distance) C4'-P energy: -74.382 bonds (distance) P-C4' energy: -70.118 flat angles C4'-P-C4' energy: -73.414 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -78.920 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: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -894.752443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.752443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.752443 (E_RNA) where: Base-Base interactions energy: -576.658 where: short stacking energy: -280.141 Base-Backbone interact. energy: -0.678 local terms energy: -317.415526 where: bonds (distance) C4'-P energy: -54.420 bonds (distance) P-C4' energy: -63.287 flat angles C4'-P-C4' energy: -70.873 flat angles P-C4'-P energy: -51.641 tors. eta vs tors. theta energy: -77.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -792.959746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.959746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.959746 (E_RNA) where: Base-Base interactions energy: -501.547 where: short stacking energy: -233.966 Base-Backbone interact. energy: 0.997 local terms energy: -292.409572 where: bonds (distance) C4'-P energy: -70.483 bonds (distance) P-C4' energy: -72.169 flat angles C4'-P-C4' energy: -51.886 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -52.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -720.749631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.749631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.749631 (E_RNA) where: Base-Base interactions energy: -458.303 where: short stacking energy: -217.229 Base-Backbone interact. energy: 1.398 local terms energy: -263.844296 where: bonds (distance) C4'-P energy: -52.097 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -60.867 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -59.755 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: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -683.164541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.164541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.164541 (E_RNA) where: Base-Base interactions energy: -430.017 where: short stacking energy: -208.972 Base-Backbone interact. energy: 3.841 local terms energy: -256.989039 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -59.223 flat angles C4'-P-C4' energy: -60.020 flat angles P-C4'-P energy: -28.641 tors. eta vs tors. theta energy: -42.636 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: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -479.102657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.102657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.102657 (E_RNA) where: Base-Base interactions energy: -246.119 where: short stacking energy: -156.458 Base-Backbone interact. energy: 0.020 local terms energy: -233.003182 where: bonds (distance) C4'-P energy: -62.217 bonds (distance) P-C4' energy: -56.263 flat angles C4'-P-C4' energy: -42.083 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -24.484 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: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -303.463336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.463336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.463336 (E_RNA) where: Base-Base interactions energy: -98.508 where: short stacking energy: -74.963 Base-Backbone interact. energy: 1.701 local terms energy: -206.657072 where: bonds (distance) C4'-P energy: -45.665 bonds (distance) P-C4' energy: -60.527 flat angles C4'-P-C4' energy: -53.752 flat angles P-C4'-P energy: -32.958 tors. eta vs tors. theta energy: -13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -279.546267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.546267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.546267 (E_RNA) where: Base-Base interactions energy: -102.208 where: short stacking energy: -93.390 Base-Backbone interact. energy: -0.733 local terms energy: -176.605491 where: bonds (distance) C4'-P energy: -59.760 bonds (distance) P-C4' energy: -56.643 flat angles C4'-P-C4' energy: -32.244 flat angles P-C4'-P energy: -30.167 tors. eta vs tors. theta energy: 2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1063.697923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.697923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.697923 (E_RNA) where: Base-Base interactions energy: -710.220 where: short stacking energy: -303.487 Base-Backbone interact. energy: -0.801 local terms energy: -352.676753 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -74.992 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -88.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -993.619622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.619622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.619622 (E_RNA) where: Base-Base interactions energy: -668.791 where: short stacking energy: -298.783 Base-Backbone interact. energy: -2.202 local terms energy: -322.626683 where: bonds (distance) C4'-P energy: -72.298 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -67.582 flat angles P-C4'-P energy: -41.331 tors. eta vs tors. theta energy: -79.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -967.279749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.279749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.279749 (E_RNA) where: Base-Base interactions energy: -635.500 where: short stacking energy: -284.072 Base-Backbone interact. energy: 0.623 local terms energy: -332.402883 where: bonds (distance) C4'-P energy: -66.579 bonds (distance) P-C4' energy: -68.962 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -45.049 tors. eta vs tors. theta energy: -77.158 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: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -908.345973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.345973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.345973 (E_RNA) where: Base-Base interactions energy: -583.567 where: short stacking energy: -290.005 Base-Backbone interact. energy: -0.871 local terms energy: -323.907411 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -62.063 flat angles C4'-P-C4' energy: -74.768 flat angles P-C4'-P energy: -50.243 tors. eta vs tors. theta energy: -75.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -798.004127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.004127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.004127 (E_RNA) where: Base-Base interactions energy: -504.066 where: short stacking energy: -237.523 Base-Backbone interact. energy: 0.520 local terms energy: -294.458182 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -69.460 flat angles C4'-P-C4' energy: -61.193 flat angles P-C4'-P energy: -43.498 tors. eta vs tors. theta energy: -56.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -680.298799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.298799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.298799 (E_RNA) where: Base-Base interactions energy: -416.538 where: short stacking energy: -195.741 Base-Backbone interact. energy: -0.229 local terms energy: -263.532549 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -61.796 flat angles C4'-P-C4' energy: -58.334 flat angles P-C4'-P energy: -40.615 tors. eta vs tors. theta energy: -44.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -700.669192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.669192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.669192 (E_RNA) where: Base-Base interactions energy: -434.970 where: short stacking energy: -207.262 Base-Backbone interact. energy: -0.266 local terms energy: -265.433506 where: bonds (distance) C4'-P energy: -56.528 bonds (distance) P-C4' energy: -54.036 flat angles C4'-P-C4' energy: -74.831 flat angles P-C4'-P energy: -32.481 tors. eta vs tors. theta energy: -47.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -500.429826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.429826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.429826 (E_RNA) where: Base-Base interactions energy: -279.765 where: short stacking energy: -174.349 Base-Backbone interact. energy: -1.554 local terms energy: -219.110434 where: bonds (distance) C4'-P energy: -51.443 bonds (distance) P-C4' energy: -41.884 flat angles C4'-P-C4' energy: -55.283 flat angles P-C4'-P energy: -29.867 tors. eta vs tors. theta energy: -40.633 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: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -402.775384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.775384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.775384 (E_RNA) where: Base-Base interactions energy: -192.213 where: short stacking energy: -97.449 Base-Backbone interact. energy: -2.326 local terms energy: -208.236640 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -63.897 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -35.221 tors. eta vs tors. theta energy: 4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -280.440310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.440310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.440310 (E_RNA) where: Base-Base interactions energy: -78.042 where: short stacking energy: -71.472 Base-Backbone interact. energy: -1.000 local terms energy: -201.397821 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -41.405 flat angles P-C4'-P energy: -27.467 tors. eta vs tors. theta energy: -2.908 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: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1041.757968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.757968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.757968 (E_RNA) where: Base-Base interactions energy: -695.067 where: short stacking energy: -299.128 Base-Backbone interact. energy: 2.172 local terms energy: -348.862582 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -71.564 flat angles C4'-P-C4' energy: -77.091 flat angles P-C4'-P energy: -45.013 tors. eta vs tors. theta energy: -87.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1015.748249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.748249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.748249 (E_RNA) where: Base-Base interactions energy: -680.056 where: short stacking energy: -284.029 Base-Backbone interact. energy: -1.727 local terms energy: -333.964828 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -71.725 flat angles C4'-P-C4' energy: -63.183 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -83.479 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: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -985.241185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.241185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.241185 (E_RNA) where: Base-Base interactions energy: -657.193 where: short stacking energy: -286.722 Base-Backbone interact. energy: 1.915 local terms energy: -329.963034 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -72.035 flat angles C4'-P-C4' energy: -69.191 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -71.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -939.410313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.410313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.410313 (E_RNA) where: Base-Base interactions energy: -630.240 where: short stacking energy: -286.689 Base-Backbone interact. energy: 1.919 local terms energy: -311.089204 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -62.869 flat angles C4'-P-C4' energy: -57.404 flat angles P-C4'-P energy: -44.439 tors. eta vs tors. theta energy: -90.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -791.161250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.161250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.161250 (E_RNA) where: Base-Base interactions energy: -488.790 where: short stacking energy: -221.671 Base-Backbone interact. energy: 1.315 local terms energy: -303.686595 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -68.242 flat angles C4'-P-C4' energy: -70.892 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -55.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -648.516010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.516010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.516010 (E_RNA) where: Base-Base interactions energy: -402.630 where: short stacking energy: -209.377 Base-Backbone interact. energy: 1.389 local terms energy: -247.275597 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -52.614 flat angles C4'-P-C4' energy: -53.488 flat angles P-C4'-P energy: -31.461 tors. eta vs tors. theta energy: -42.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -715.494869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.494869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.494869 (E_RNA) where: Base-Base interactions energy: -476.434 where: short stacking energy: -225.022 Base-Backbone interact. energy: 1.837 local terms energy: -240.896988 where: bonds (distance) C4'-P energy: -43.584 bonds (distance) P-C4' energy: -54.744 flat angles C4'-P-C4' energy: -58.723 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: -47.912 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: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -447.813495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.813495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.813495 (E_RNA) where: Base-Base interactions energy: -222.102 where: short stacking energy: -119.904 Base-Backbone interact. energy: -1.141 local terms energy: -224.570088 where: bonds (distance) C4'-P energy: -56.421 bonds (distance) P-C4' energy: -70.171 flat angles C4'-P-C4' energy: -60.934 flat angles P-C4'-P energy: -27.770 tors. eta vs tors. theta energy: -9.275 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: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -384.334470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.334470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.334470 (E_RNA) where: Base-Base interactions energy: -185.994 where: short stacking energy: -114.583 Base-Backbone interact. energy: -0.514 local terms energy: -197.826655 where: bonds (distance) C4'-P energy: -69.864 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -33.757 flat angles P-C4'-P energy: -20.739 tors. eta vs tors. theta energy: -8.795 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: 10, replica: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -306.465516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.465516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.465516 (E_RNA) where: Base-Base interactions energy: -110.307 where: short stacking energy: -88.872 Base-Backbone interact. energy: -0.031 local terms energy: -196.126737 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -45.024 flat angles P-C4'-P energy: -24.670 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1027.680798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.680798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.680798 (E_RNA) where: Base-Base interactions energy: -687.983 where: short stacking energy: -314.999 Base-Backbone interact. energy: -2.273 local terms energy: -337.424167 where: bonds (distance) C4'-P energy: -65.803 bonds (distance) P-C4' energy: -74.178 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -42.866 tors. eta vs tors. theta energy: -79.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1012.398281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.398281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.398281 (E_RNA) where: Base-Base interactions energy: -665.882 where: short stacking energy: -303.539 Base-Backbone interact. energy: -2.441 local terms energy: -344.074561 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -67.499 flat angles C4'-P-C4' energy: -75.617 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: -86.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -978.706756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.706756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.706756 (E_RNA) where: Base-Base interactions energy: -655.545 where: short stacking energy: -295.851 Base-Backbone interact. energy: -0.722 local terms energy: -322.439783 where: bonds (distance) C4'-P energy: -54.178 bonds (distance) P-C4' energy: -60.621 flat angles C4'-P-C4' energy: -77.634 flat angles P-C4'-P energy: -46.311 tors. eta vs tors. theta energy: -83.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -915.638120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.638120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.638120 (E_RNA) where: Base-Base interactions energy: -611.338 where: short stacking energy: -282.778 Base-Backbone interact. energy: -1.251 local terms energy: -303.048906 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -56.752 flat angles C4'-P-C4' energy: -70.827 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -74.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -798.738100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.738100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.738100 (E_RNA) where: Base-Base interactions energy: -508.091 where: short stacking energy: -231.965 Base-Backbone interact. energy: -1.327 local terms energy: -289.320360 where: bonds (distance) C4'-P energy: -57.748 bonds (distance) P-C4' energy: -63.941 flat angles C4'-P-C4' energy: -70.025 flat angles P-C4'-P energy: -45.341 tors. eta vs tors. theta energy: -52.265 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: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -726.800832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.800832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.800832 (E_RNA) where: Base-Base interactions energy: -464.326 where: short stacking energy: -214.641 Base-Backbone interact. energy: -1.691 local terms energy: -260.783530 where: bonds (distance) C4'-P energy: -53.903 bonds (distance) P-C4' energy: -50.334 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -42.544 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: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -727.322029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.322029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.322029 (E_RNA) where: Base-Base interactions energy: -464.360 where: short stacking energy: -229.797 Base-Backbone interact. energy: -0.668 local terms energy: -262.294006 where: bonds (distance) C4'-P energy: -44.774 bonds (distance) P-C4' energy: -65.534 flat angles C4'-P-C4' energy: -59.054 flat angles P-C4'-P energy: -45.545 tors. eta vs tors. theta energy: -47.387 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: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -442.822194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.822194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.822194 (E_RNA) where: Base-Base interactions energy: -214.414 where: short stacking energy: -134.227 Base-Backbone interact. energy: 1.151 local terms energy: -229.558860 where: bonds (distance) C4'-P energy: -61.319 bonds (distance) P-C4' energy: -54.295 flat angles C4'-P-C4' energy: -55.234 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: -18.511 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: 45 Temperature: 1.300000 Total energy: -407.006400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.006400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.006400 (E_RNA) where: Base-Base interactions energy: -206.240 where: short stacking energy: -123.583 Base-Backbone interact. energy: -0.880 local terms energy: -199.886263 where: bonds (distance) C4'-P energy: -53.098 bonds (distance) P-C4' energy: -61.813 flat angles C4'-P-C4' energy: -44.273 flat angles P-C4'-P energy: -26.572 tors. eta vs tors. theta energy: -14.131 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: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -312.307820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.307820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.307820 (E_RNA) where: Base-Base interactions energy: -117.674 where: short stacking energy: -66.601 Base-Backbone interact. energy: -2.727 local terms energy: -191.906212 where: bonds (distance) C4'-P energy: -57.753 bonds (distance) P-C4' energy: -66.506 flat angles C4'-P-C4' energy: -41.217 flat angles P-C4'-P energy: -34.513 tors. eta vs tors. theta energy: 8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1027.979150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.979150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.979150 (E_RNA) where: Base-Base interactions energy: -694.822 where: short stacking energy: -314.346 Base-Backbone interact. energy: -1.112 local terms energy: -332.045976 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -77.924 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: -77.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -984.463593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.463593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.463593 (E_RNA) where: Base-Base interactions energy: -650.027 where: short stacking energy: -284.465 Base-Backbone interact. energy: -6.419 local terms energy: -328.017236 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -50.238 tors. eta vs tors. theta energy: -77.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -950.912982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.912982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.912982 (E_RNA) where: Base-Base interactions energy: -628.725 where: short stacking energy: -276.860 Base-Backbone interact. energy: -0.221 local terms energy: -321.967042 where: bonds (distance) C4'-P energy: -61.592 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -67.003 flat angles P-C4'-P energy: -49.331 tors. eta vs tors. theta energy: -77.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -966.440659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.440659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.440659 (E_RNA) where: Base-Base interactions energy: -637.748 where: short stacking energy: -311.342 Base-Backbone interact. energy: -1.740 local terms energy: -326.953192 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -93.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -746.546348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.546348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.546348 (E_RNA) where: Base-Base interactions energy: -469.895 where: short stacking energy: -242.314 Base-Backbone interact. energy: -1.116 local terms energy: -275.534957 where: bonds (distance) C4'-P energy: -51.142 bonds (distance) P-C4' energy: -66.773 flat angles C4'-P-C4' energy: -58.087 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: -61.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -756.152431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.152431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.152431 (E_RNA) where: Base-Base interactions energy: -471.954 where: short stacking energy: -214.775 Base-Backbone interact. energy: -0.120 local terms energy: -284.078437 where: bonds (distance) C4'-P energy: -67.945 bonds (distance) P-C4' energy: -61.029 flat angles C4'-P-C4' energy: -63.199 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -47.337 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: 46 Temperature: 1.200000 Total energy: -712.714043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.714043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.714043 (E_RNA) where: Base-Base interactions energy: -462.208 where: short stacking energy: -234.034 Base-Backbone interact. energy: -0.447 local terms energy: -250.059579 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -56.920 flat angles C4'-P-C4' energy: -53.914 flat angles P-C4'-P energy: -34.978 tors. eta vs tors. theta energy: -52.224 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: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -483.573949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.573949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.573949 (E_RNA) where: Base-Base interactions energy: -266.011 where: short stacking energy: -143.831 Base-Backbone interact. energy: -1.206 local terms energy: -216.357155 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -58.398 flat angles C4'-P-C4' energy: -42.751 flat angles P-C4'-P energy: -33.615 tors. eta vs tors. theta energy: -21.804 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: 46 Temperature: 1.300000 Total energy: -411.670088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.670088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.670088 (E_RNA) where: Base-Base interactions energy: -210.675 where: short stacking energy: -118.339 Base-Backbone interact. energy: -0.396 local terms energy: -200.598409 where: bonds (distance) C4'-P energy: -48.914 bonds (distance) P-C4' energy: -51.343 flat angles C4'-P-C4' energy: -53.290 flat angles P-C4'-P energy: -33.631 tors. eta vs tors. theta energy: -13.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -352.986827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.986827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.986827 (E_RNA) where: Base-Base interactions energy: -178.098 where: short stacking energy: -97.340 Base-Backbone interact. energy: 5.553 local terms energy: -180.442018 where: bonds (distance) C4'-P energy: -48.051 bonds (distance) P-C4' energy: -55.789 flat angles C4'-P-C4' energy: -58.709 flat angles P-C4'-P energy: -34.446 tors. eta vs tors. theta energy: 16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1008.892814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.892814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.892814 (E_RNA) where: Base-Base interactions energy: -689.087 where: short stacking energy: -313.952 Base-Backbone interact. energy: -0.512 local terms energy: -319.294615 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -75.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -967.645067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.645067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.645067 (E_RNA) where: Base-Base interactions energy: -625.274 where: short stacking energy: -268.135 Base-Backbone interact. energy: -1.049 local terms energy: -341.321273 where: bonds (distance) C4'-P energy: -70.076 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -66.348 flat angles P-C4'-P energy: -47.961 tors. eta vs tors. theta energy: -82.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -956.399932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.399932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.399932 (E_RNA) where: Base-Base interactions energy: -638.059 where: short stacking energy: -282.948 Base-Backbone interact. energy: -2.954 local terms energy: -315.386692 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -67.816 flat angles C4'-P-C4' energy: -69.874 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -68.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -950.998249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.998249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.998249 (E_RNA) where: Base-Base interactions energy: -600.276 where: short stacking energy: -299.613 Base-Backbone interact. energy: -1.640 local terms energy: -349.082087 where: bonds (distance) C4'-P energy: -68.295 bonds (distance) P-C4' energy: -70.505 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -45.558 tors. eta vs tors. theta energy: -89.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -789.949364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.949364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.949364 (E_RNA) where: Base-Base interactions energy: -504.092 where: short stacking energy: -235.181 Base-Backbone interact. energy: -1.646 local terms energy: -284.211248 where: bonds (distance) C4'-P energy: -59.737 bonds (distance) P-C4' energy: -67.990 flat angles C4'-P-C4' energy: -66.567 flat angles P-C4'-P energy: -36.493 tors. eta vs tors. theta energy: -53.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -775.452722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.452722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.452722 (E_RNA) where: Base-Base interactions energy: -475.446 where: short stacking energy: -225.565 Base-Backbone interact. energy: -1.350 local terms energy: -298.656270 where: bonds (distance) C4'-P energy: -65.298 bonds (distance) P-C4' energy: -60.507 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: -68.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -741.642814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.642814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.642814 (E_RNA) where: Base-Base interactions energy: -462.994 where: short stacking energy: -220.317 Base-Backbone interact. energy: -2.093 local terms energy: -276.555978 where: bonds (distance) C4'-P energy: -54.831 bonds (distance) P-C4' energy: -65.270 flat angles C4'-P-C4' energy: -60.167 flat angles P-C4'-P energy: -37.183 tors. eta vs tors. theta energy: -59.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -482.399421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.399421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.399421 (E_RNA) where: Base-Base interactions energy: -263.538 where: short stacking energy: -158.595 Base-Backbone interact. energy: -0.920 local terms energy: -217.940992 where: bonds (distance) C4'-P energy: -51.437 bonds (distance) P-C4' energy: -49.553 flat angles C4'-P-C4' energy: -49.577 flat angles P-C4'-P energy: -34.274 tors. eta vs tors. theta energy: -33.100 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: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -481.099082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.099082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.099082 (E_RNA) where: Base-Base interactions energy: -259.309 where: short stacking energy: -156.261 Base-Backbone interact. energy: -0.554 local terms energy: -221.236295 where: bonds (distance) C4'-P energy: -62.840 bonds (distance) P-C4' energy: -48.666 flat angles C4'-P-C4' energy: -50.297 flat angles P-C4'-P energy: -37.960 tors. eta vs tors. theta energy: -21.473 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: 3 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -315.619343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.619343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.619343 (E_RNA) where: Base-Base interactions energy: -137.739 where: short stacking energy: -88.856 Base-Backbone interact. energy: 7.546 local terms energy: -185.426779 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -47.296 flat angles C4'-P-C4' energy: -45.682 flat angles P-C4'-P energy: -34.360 tors. eta vs tors. theta energy: 3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1019.452589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.452589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.452589 (E_RNA) where: Base-Base interactions energy: -663.649 where: short stacking energy: -308.762 Base-Backbone interact. energy: -2.466 local terms energy: -353.338361 where: bonds (distance) C4'-P energy: -67.317 bonds (distance) P-C4' energy: -70.640 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -82.232 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: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -933.401021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.401021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.401021 (E_RNA) where: Base-Base interactions energy: -622.319 where: short stacking energy: -285.012 Base-Backbone interact. energy: -1.349 local terms energy: -309.732979 where: bonds (distance) C4'-P energy: -53.075 bonds (distance) P-C4' energy: -67.078 flat angles C4'-P-C4' energy: -67.038 flat angles P-C4'-P energy: -51.613 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: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -954.365764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.365764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.365764 (E_RNA) where: Base-Base interactions energy: -613.542 where: short stacking energy: -283.045 Base-Backbone interact. energy: -4.307 local terms energy: -336.516601 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -72.067 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -87.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -967.246781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.246781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.246781 (E_RNA) where: Base-Base interactions energy: -631.019 where: short stacking energy: -286.733 Base-Backbone interact. energy: 1.199 local terms energy: -337.426503 where: bonds (distance) C4'-P energy: -57.795 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -79.325 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -86.592 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: 9 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -833.071441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.071441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.071441 (E_RNA) where: Base-Base interactions energy: -551.971 where: short stacking energy: -261.891 Base-Backbone interact. energy: -2.403 local terms energy: -278.697902 where: bonds (distance) C4'-P energy: -61.679 bonds (distance) P-C4' energy: -50.074 flat angles C4'-P-C4' energy: -61.420 flat angles P-C4'-P energy: -36.142 tors. eta vs tors. theta energy: -69.383 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: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -729.755624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.755624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.755624 (E_RNA) where: Base-Base interactions energy: -450.825 where: short stacking energy: -215.125 Base-Backbone interact. energy: -0.613 local terms energy: -278.317266 where: bonds (distance) C4'-P energy: -64.772 bonds (distance) P-C4' energy: -62.108 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -48.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -771.028390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.028390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.028390 (E_RNA) where: Base-Base interactions energy: -483.982 where: short stacking energy: -245.569 Base-Backbone interact. energy: -0.997 local terms energy: -286.049513 where: bonds (distance) C4'-P energy: -57.859 bonds (distance) P-C4' energy: -58.204 flat angles C4'-P-C4' energy: -65.432 flat angles P-C4'-P energy: -38.996 tors. eta vs tors. theta energy: -65.559 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: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -491.045473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.045473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.045473 (E_RNA) where: Base-Base interactions energy: -243.205 where: short stacking energy: -138.701 Base-Backbone interact. energy: -5.219 local terms energy: -242.620921 where: bonds (distance) C4'-P energy: -55.004 bonds (distance) P-C4' energy: -64.423 flat angles C4'-P-C4' energy: -66.839 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: -20.621 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: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -470.790883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.790883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.790883 (E_RNA) where: Base-Base interactions energy: -238.618 where: short stacking energy: -121.526 Base-Backbone interact. energy: -0.963 local terms energy: -231.209952 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -69.220 flat angles C4'-P-C4' energy: -54.322 flat angles P-C4'-P energy: -33.477 tors. eta vs tors. theta energy: -18.876 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: 3 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -352.140039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.140039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.140039 (E_RNA) where: Base-Base interactions energy: -145.369 where: short stacking energy: -93.034 Base-Backbone interact. energy: -1.841 local terms energy: -204.930220 where: bonds (distance) C4'-P energy: -52.983 bonds (distance) P-C4' energy: -55.005 flat angles C4'-P-C4' energy: -47.078 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1031.970159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.970159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.970159 (E_RNA) where: Base-Base interactions energy: -690.567 where: short stacking energy: -283.595 Base-Backbone interact. energy: -1.988 local terms energy: -339.414651 where: bonds (distance) C4'-P energy: -67.990 bonds (distance) P-C4' energy: -68.822 flat angles C4'-P-C4' energy: -79.144 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -77.948 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: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1018.081554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.081554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.081554 (E_RNA) where: Base-Base interactions energy: -665.926 where: short stacking energy: -303.673 Base-Backbone interact. energy: -0.172 local terms energy: -351.983209 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -73.483 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -82.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -922.902994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.902994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.902994 (E_RNA) where: Base-Base interactions energy: -614.400 where: short stacking energy: -279.369 Base-Backbone interact. energy: -0.901 local terms energy: -307.601664 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -69.745 flat angles P-C4'-P energy: -42.940 tors. eta vs tors. theta energy: -77.095 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: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -959.917231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.917231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.917231 (E_RNA) where: Base-Base interactions energy: -622.793 where: short stacking energy: -288.074 Base-Backbone interact. energy: 0.040 local terms energy: -337.164472 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -71.371 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -94.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -822.760789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.760789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.760789 (E_RNA) where: Base-Base interactions energy: -524.458 where: short stacking energy: -230.876 Base-Backbone interact. energy: -0.574 local terms energy: -297.727906 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -66.128 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -53.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -710.018712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.018712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.018712 (E_RNA) where: Base-Base interactions energy: -447.117 where: short stacking energy: -220.909 Base-Backbone interact. energy: 2.275 local terms energy: -265.176758 where: bonds (distance) C4'-P energy: -63.751 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -53.895 flat angles P-C4'-P energy: -30.550 tors. eta vs tors. theta energy: -50.509 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: 49 Temperature: 1.200000 Total energy: -691.468374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.468374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.468374 (E_RNA) where: Base-Base interactions energy: -408.939 where: short stacking energy: -201.383 Base-Backbone interact. energy: 1.706 local terms energy: -284.235594 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -53.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -510.443635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.443635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.443635 (E_RNA) where: Base-Base interactions energy: -271.745 where: short stacking energy: -145.398 Base-Backbone interact. energy: -1.661 local terms energy: -237.038074 where: bonds (distance) C4'-P energy: -58.062 bonds (distance) P-C4' energy: -55.667 flat angles C4'-P-C4' energy: -57.685 flat angles P-C4'-P energy: -43.598 tors. eta vs tors. theta energy: -22.026 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: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -466.522981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.522981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.522981 (E_RNA) where: Base-Base interactions energy: -240.787 where: short stacking energy: -129.675 Base-Backbone interact. energy: -2.026 local terms energy: -223.709272 where: bonds (distance) C4'-P energy: -62.945 bonds (distance) P-C4' energy: -60.348 flat angles C4'-P-C4' energy: -44.438 flat angles P-C4'-P energy: -34.229 tors. eta vs tors. theta energy: -21.748 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: 3 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -346.189180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.189180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.189180 (E_RNA) where: Base-Base interactions energy: -140.486 where: short stacking energy: -85.510 Base-Backbone interact. energy: -0.548 local terms energy: -205.155336 where: bonds (distance) C4'-P energy: -59.606 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -46.107 flat angles P-C4'-P energy: -34.781 tors. eta vs tors. theta energy: -3.156 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: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1063.713186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.713186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.713186 (E_RNA) where: Base-Base interactions energy: -699.671 where: short stacking energy: -327.995 Base-Backbone interact. energy: -1.668 local terms energy: -362.375063 where: bonds (distance) C4'-P energy: -64.643 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -69.903 flat angles P-C4'-P energy: -59.311 tors. eta vs tors. theta energy: -93.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1003.123105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.123105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.123105 (E_RNA) where: Base-Base interactions energy: -663.426 where: short stacking energy: -294.953 Base-Backbone interact. energy: -1.464 local terms energy: -338.233114 where: bonds (distance) C4'-P energy: -65.359 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -74.295 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: -85.388 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: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1009.358981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.358981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.358981 (E_RNA) where: Base-Base interactions energy: -668.495 where: short stacking energy: -284.231 Base-Backbone interact. energy: -1.157 local terms energy: -339.707074 where: bonds (distance) C4'-P energy: -59.105 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -79.295 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: -82.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -902.805606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.805606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.805606 (E_RNA) where: Base-Base interactions energy: -603.723 where: short stacking energy: -264.792 Base-Backbone interact. energy: -3.538 local terms energy: -295.544064 where: bonds (distance) C4'-P energy: -58.304 bonds (distance) P-C4' energy: -62.036 flat angles C4'-P-C4' energy: -67.233 flat angles P-C4'-P energy: -40.166 tors. eta vs tors. theta energy: -67.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -845.691588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.691588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.691588 (E_RNA) where: Base-Base interactions energy: -548.209 where: short stacking energy: -262.953 Base-Backbone interact. energy: 0.448 local terms energy: -297.930729 where: bonds (distance) C4'-P energy: -59.571 bonds (distance) P-C4' energy: -63.197 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -60.600 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: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -764.601442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.601442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.601442 (E_RNA) where: Base-Base interactions energy: -479.618 where: short stacking energy: -212.236 Base-Backbone interact. energy: 2.022 local terms energy: -287.005229 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -76.951 flat angles C4'-P-C4' energy: -56.961 flat angles P-C4'-P energy: -45.453 tors. eta vs tors. theta energy: -54.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -690.665845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.665845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.665845 (E_RNA) where: Base-Base interactions energy: -425.383 where: short stacking energy: -186.360 Base-Backbone interact. energy: 0.736 local terms energy: -266.018911 where: bonds (distance) C4'-P energy: -52.211 bonds (distance) P-C4' energy: -72.453 flat angles C4'-P-C4' energy: -58.852 flat angles P-C4'-P energy: -38.371 tors. eta vs tors. theta energy: -44.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -495.702750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.702750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.702750 (E_RNA) where: Base-Base interactions energy: -282.847 where: short stacking energy: -159.435 Base-Backbone interact. energy: -1.765 local terms energy: -211.091261 where: bonds (distance) C4'-P energy: -58.888 bonds (distance) P-C4' energy: -54.254 flat angles C4'-P-C4' energy: -55.644 flat angles P-C4'-P energy: -27.443 tors. eta vs tors. theta energy: -14.862 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: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -388.597782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.597782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.597782 (E_RNA) where: Base-Base interactions energy: -179.660 where: short stacking energy: -114.814 Base-Backbone interact. energy: -2.095 local terms energy: -206.842558 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -52.296 flat angles P-C4'-P energy: -20.923 tors. eta vs tors. theta energy: -6.064 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: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -378.063594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.063594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.063594 (E_RNA) where: Base-Base interactions energy: -186.594 where: short stacking energy: -106.390 Base-Backbone interact. energy: 4.829 local terms energy: -196.298588 where: bonds (distance) C4'-P energy: -54.787 bonds (distance) P-C4' energy: -54.275 flat angles C4'-P-C4' energy: -48.775 flat angles P-C4'-P energy: -27.798 tors. eta vs tors. theta energy: -10.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1056.570270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.570270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.570270 (E_RNA) where: Base-Base interactions energy: -698.689 where: short stacking energy: -312.445 Base-Backbone interact. energy: -0.233 local terms energy: -357.648792 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -81.467 flat angles P-C4'-P energy: -54.122 tors. eta vs tors. theta energy: -90.108 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: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1034.339252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.339252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.339252 (E_RNA) where: Base-Base interactions energy: -684.138 where: short stacking energy: -307.855 Base-Backbone interact. energy: -1.261 local terms energy: -348.940585 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -61.703 flat angles C4'-P-C4' energy: -76.627 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -88.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -978.838625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.838625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.838625 (E_RNA) where: Base-Base interactions energy: -657.552 where: short stacking energy: -284.455 Base-Backbone interact. energy: 1.005 local terms energy: -322.292015 where: bonds (distance) C4'-P energy: -66.661 bonds (distance) P-C4' energy: -56.324 flat angles C4'-P-C4' energy: -71.938 flat angles P-C4'-P energy: -43.905 tors. eta vs tors. theta energy: -83.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -931.892313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.892313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.892313 (E_RNA) where: Base-Base interactions energy: -636.182 where: short stacking energy: -295.292 Base-Backbone interact. energy: -1.504 local terms energy: -294.206209 where: bonds (distance) C4'-P energy: -66.597 bonds (distance) P-C4' energy: -53.826 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -30.369 tors. eta vs tors. theta energy: -78.431 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: 9 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -843.064076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.064076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.064076 (E_RNA) where: Base-Base interactions energy: -546.953 where: short stacking energy: -246.668 Base-Backbone interact. energy: 2.101 local terms energy: -298.212805 where: bonds (distance) C4'-P energy: -64.154 bonds (distance) P-C4' energy: -68.851 flat angles C4'-P-C4' energy: -62.914 flat angles P-C4'-P energy: -42.014 tors. eta vs tors. theta energy: -60.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -795.833171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.833171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.833171 (E_RNA) where: Base-Base interactions energy: -505.305 where: short stacking energy: -239.278 Base-Backbone interact. energy: -1.427 local terms energy: -289.101255 where: bonds (distance) C4'-P energy: -64.326 bonds (distance) P-C4' energy: -51.397 flat angles C4'-P-C4' energy: -70.781 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -63.043 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: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -677.621967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.621967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.621967 (E_RNA) where: Base-Base interactions energy: -426.710 where: short stacking energy: -188.684 Base-Backbone interact. energy: 1.511 local terms energy: -252.422852 where: bonds (distance) C4'-P energy: -61.663 bonds (distance) P-C4' energy: -49.224 flat angles C4'-P-C4' energy: -48.683 flat angles P-C4'-P energy: -46.333 tors. eta vs tors. theta energy: -46.521 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: 51 Temperature: 1.250000 Total energy: -520.517404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.517404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.517404 (E_RNA) where: Base-Base interactions energy: -278.970 where: short stacking energy: -144.042 Base-Backbone interact. energy: 3.164 local terms energy: -244.711091 where: bonds (distance) C4'-P energy: -58.870 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -56.058 flat angles P-C4'-P energy: -40.336 tors. eta vs tors. theta energy: -35.058 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: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -411.774237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.774237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.774237 (E_RNA) where: Base-Base interactions energy: -179.928 where: short stacking energy: -118.909 Base-Backbone interact. energy: -1.055 local terms energy: -230.790631 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -55.448 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -15.977 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: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -379.782298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.782298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.782298 (E_RNA) where: Base-Base interactions energy: -172.914 where: short stacking energy: -112.108 Base-Backbone interact. energy: -0.620 local terms energy: -206.247607 where: bonds (distance) C4'-P energy: -52.436 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -54.313 flat angles P-C4'-P energy: -32.056 tors. eta vs tors. theta energy: -9.153 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: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1083.680386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.680386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.680386 (E_RNA) where: Base-Base interactions energy: -707.372 where: short stacking energy: -323.601 Base-Backbone interact. energy: -0.412 local terms energy: -375.896629 where: bonds (distance) C4'-P energy: -78.994 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -80.224 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: -95.574 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: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1019.450220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.450220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.450220 (E_RNA) where: Base-Base interactions energy: -674.625 where: short stacking energy: -313.545 Base-Backbone interact. energy: -0.055 local terms energy: -344.770897 where: bonds (distance) C4'-P energy: -67.619 bonds (distance) P-C4' energy: -66.851 flat angles C4'-P-C4' energy: -78.922 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -85.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -960.032829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.032829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.032829 (E_RNA) where: Base-Base interactions energy: -639.550 where: short stacking energy: -269.521 Base-Backbone interact. energy: -0.559 local terms energy: -319.923305 where: bonds (distance) C4'-P energy: -63.553 bonds (distance) P-C4' energy: -74.269 flat angles C4'-P-C4' energy: -64.742 flat angles P-C4'-P energy: -48.855 tors. eta vs tors. theta energy: -68.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -932.373354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.373354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.373354 (E_RNA) where: Base-Base interactions energy: -620.517 where: short stacking energy: -282.784 Base-Backbone interact. energy: -3.170 local terms energy: -308.686356 where: bonds (distance) C4'-P energy: -54.518 bonds (distance) P-C4' energy: -64.125 flat angles C4'-P-C4' energy: -73.773 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -73.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -864.509542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.509542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.509542 (E_RNA) where: Base-Base interactions energy: -559.464 where: short stacking energy: -245.389 Base-Backbone interact. energy: -2.560 local terms energy: -302.485285 where: bonds (distance) C4'-P energy: -62.623 bonds (distance) P-C4' energy: -66.510 flat angles C4'-P-C4' energy: -68.369 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -69.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -788.539607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.539607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.539607 (E_RNA) where: Base-Base interactions energy: -507.629 where: short stacking energy: -235.941 Base-Backbone interact. energy: 1.949 local terms energy: -282.859579 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -69.664 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -52.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -655.353277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.353277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.353277 (E_RNA) where: Base-Base interactions energy: -400.472 where: short stacking energy: -192.363 Base-Backbone interact. energy: 2.106 local terms energy: -256.986948 where: bonds (distance) C4'-P energy: -41.045 bonds (distance) P-C4' energy: -59.139 flat angles C4'-P-C4' energy: -70.189 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: -44.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -525.656098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.656098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.656098 (E_RNA) where: Base-Base interactions energy: -321.055 where: short stacking energy: -169.132 Base-Backbone interact. energy: -2.058 local terms energy: -202.542369 where: bonds (distance) C4'-P energy: -42.992 bonds (distance) P-C4' energy: -62.495 flat angles C4'-P-C4' energy: -48.039 flat angles P-C4'-P energy: -26.342 tors. eta vs tors. theta energy: -22.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -384.769194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.769194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.769194 (E_RNA) where: Base-Base interactions energy: -179.330 where: short stacking energy: -113.273 Base-Backbone interact. energy: -0.833 local terms energy: -204.605813 where: bonds (distance) C4'-P energy: -47.798 bonds (distance) P-C4' energy: -69.870 flat angles C4'-P-C4' energy: -54.029 flat angles P-C4'-P energy: -29.978 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -350.047563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.047563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.047563 (E_RNA) where: Base-Base interactions energy: -161.065 where: short stacking energy: -88.617 Base-Backbone interact. energy: 0.187 local terms energy: -189.169646 where: bonds (distance) C4'-P energy: -49.189 bonds (distance) P-C4' energy: -58.690 flat angles C4'-P-C4' energy: -53.530 flat angles P-C4'-P energy: -36.889 tors. eta vs tors. theta energy: 9.128 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: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1101.884350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.884350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.884350 (E_RNA) where: Base-Base interactions energy: -711.853 where: short stacking energy: -329.046 Base-Backbone interact. energy: -0.985 local terms energy: -389.046213 where: bonds (distance) C4'-P energy: -74.595 bonds (distance) P-C4' energy: -79.678 flat angles C4'-P-C4' energy: -78.448 flat angles P-C4'-P energy: -55.119 tors. eta vs tors. theta energy: -101.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1030.872433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.872433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.872433 (E_RNA) where: Base-Base interactions energy: -673.311 where: short stacking energy: -298.404 Base-Backbone interact. energy: -0.915 local terms energy: -356.646698 where: bonds (distance) C4'-P energy: -65.824 bonds (distance) P-C4' energy: -68.526 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -86.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -995.214868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.214868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.214868 (E_RNA) where: Base-Base interactions energy: -678.226 where: short stacking energy: -294.085 Base-Backbone interact. energy: -2.752 local terms energy: -314.237114 where: bonds (distance) C4'-P energy: -52.467 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -40.742 tors. eta vs tors. theta energy: -87.866 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: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -927.206165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.206165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.206165 (E_RNA) where: Base-Base interactions energy: -635.295 where: short stacking energy: -271.964 Base-Backbone interact. energy: 0.306 local terms energy: -292.216266 where: bonds (distance) C4'-P energy: -69.273 bonds (distance) P-C4' energy: -59.921 flat angles C4'-P-C4' energy: -58.433 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -66.818 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: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -893.208955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.208955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.208955 (E_RNA) where: Base-Base interactions energy: -584.831 where: short stacking energy: -261.378 Base-Backbone interact. energy: -1.313 local terms energy: -307.065678 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -63.128 flat angles P-C4'-P energy: -42.204 tors. eta vs tors. theta energy: -70.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -793.109209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.109209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.109209 (E_RNA) where: Base-Base interactions energy: -513.347 where: short stacking energy: -242.259 Base-Backbone interact. energy: -1.059 local terms energy: -278.703209 where: bonds (distance) C4'-P energy: -52.854 bonds (distance) P-C4' energy: -58.688 flat angles C4'-P-C4' energy: -61.901 flat angles P-C4'-P energy: -43.095 tors. eta vs tors. theta energy: -62.164 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: 53 Temperature: 1.200000 Total energy: -726.668966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.668966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.668966 (E_RNA) where: Base-Base interactions energy: -465.822 where: short stacking energy: -233.836 Base-Backbone interact. energy: -1.347 local terms energy: -259.499986 where: bonds (distance) C4'-P energy: -57.481 bonds (distance) P-C4' energy: -55.388 flat angles C4'-P-C4' energy: -70.834 flat angles P-C4'-P energy: -34.077 tors. eta vs tors. theta energy: -41.720 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: 53 Temperature: 1.250000 Total energy: -544.832873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.832873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.832873 (E_RNA) where: Base-Base interactions energy: -308.449 where: short stacking energy: -144.496 Base-Backbone interact. energy: 0.697 local terms energy: -237.080527 where: bonds (distance) C4'-P energy: -51.428 bonds (distance) P-C4' energy: -67.091 flat angles C4'-P-C4' energy: -61.075 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -13.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -411.029299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.029299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.029299 (E_RNA) where: Base-Base interactions energy: -228.016 where: short stacking energy: -105.788 Base-Backbone interact. energy: -1.564 local terms energy: -181.449817 where: bonds (distance) C4'-P energy: -47.934 bonds (distance) P-C4' energy: -52.839 flat angles C4'-P-C4' energy: -55.597 flat angles P-C4'-P energy: -24.963 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -338.781594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.781594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.781594 (E_RNA) where: Base-Base interactions energy: -165.863 where: short stacking energy: -116.180 Base-Backbone interact. energy: -0.254 local terms energy: -172.664519 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -59.719 flat angles C4'-P-C4' energy: -30.806 flat angles P-C4'-P energy: -26.610 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1070.544924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.544924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.544924 (E_RNA) where: Base-Base interactions energy: -713.191 where: short stacking energy: -340.557 Base-Backbone interact. energy: -0.379 local terms energy: -356.975017 where: bonds (distance) C4'-P energy: -72.057 bonds (distance) P-C4' energy: -65.771 flat angles C4'-P-C4' energy: -73.535 flat angles P-C4'-P energy: -48.922 tors. eta vs tors. theta energy: -96.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1021.718700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.718700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.718700 (E_RNA) where: Base-Base interactions energy: -679.868 where: short stacking energy: -306.362 Base-Backbone interact. energy: -3.653 local terms energy: -338.198219 where: bonds (distance) C4'-P energy: -64.823 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -83.250 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: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1002.747235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.747235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.747235 (E_RNA) where: Base-Base interactions energy: -656.597 where: short stacking energy: -318.769 Base-Backbone interact. energy: -1.535 local terms energy: -344.614647 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -77.772 flat angles P-C4'-P energy: -51.751 tors. eta vs tors. theta energy: -93.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -930.887973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.887973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.887973 (E_RNA) where: Base-Base interactions energy: -629.215 where: short stacking energy: -270.515 Base-Backbone interact. energy: -0.504 local terms energy: -301.169051 where: bonds (distance) C4'-P energy: -56.483 bonds (distance) P-C4' energy: -64.074 flat angles C4'-P-C4' energy: -69.808 flat angles P-C4'-P energy: -42.410 tors. eta vs tors. theta energy: -68.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -905.564858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.564858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.564858 (E_RNA) where: Base-Base interactions energy: -596.150 where: short stacking energy: -270.633 Base-Backbone interact. energy: -0.653 local terms energy: -308.762084 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -38.173 tors. eta vs tors. theta energy: -75.627 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: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -745.211505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.211505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.211505 (E_RNA) where: Base-Base interactions energy: -477.748 where: short stacking energy: -202.877 Base-Backbone interact. energy: -3.603 local terms energy: -263.860313 where: bonds (distance) C4'-P energy: -48.789 bonds (distance) P-C4' energy: -69.027 flat angles C4'-P-C4' energy: -59.465 flat angles P-C4'-P energy: -35.125 tors. eta vs tors. theta energy: -51.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -720.908521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.908521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.908521 (E_RNA) where: Base-Base interactions energy: -446.624 where: short stacking energy: -215.098 Base-Backbone interact. energy: -0.167 local terms energy: -274.117600 where: bonds (distance) C4'-P energy: -60.916 bonds (distance) P-C4' energy: -68.979 flat angles C4'-P-C4' energy: -55.878 flat angles P-C4'-P energy: -29.978 tors. eta vs tors. theta energy: -58.366 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: 54 Temperature: 1.250000 Total energy: -551.494780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.494780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.494780 (E_RNA) where: Base-Base interactions energy: -300.224 where: short stacking energy: -141.567 Base-Backbone interact. energy: -0.728 local terms energy: -250.542836 where: bonds (distance) C4'-P energy: -64.122 bonds (distance) P-C4' energy: -59.131 flat angles C4'-P-C4' energy: -63.355 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -19.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -420.865858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.865858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.865858 (E_RNA) where: Base-Base interactions energy: -200.688 where: short stacking energy: -120.458 Base-Backbone interact. energy: -0.846 local terms energy: -219.332239 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -58.635 flat angles C4'-P-C4' energy: -56.033 flat angles P-C4'-P energy: -34.595 tors. eta vs tors. theta energy: -12.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -425.657534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.657534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.657534 (E_RNA) where: Base-Base interactions energy: -212.362 where: short stacking energy: -124.065 Base-Backbone interact. energy: 4.451 local terms energy: -217.746996 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -57.031 flat angles C4'-P-C4' energy: -51.038 flat angles P-C4'-P energy: -32.773 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: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1101.257890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.257890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.257890 (E_RNA) where: Base-Base interactions energy: -736.773 where: short stacking energy: -328.887 Base-Backbone interact. energy: -2.306 local terms energy: -362.178907 where: bonds (distance) C4'-P energy: -66.765 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -81.695 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: -98.361 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: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1031.037927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.037927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.037927 (E_RNA) where: Base-Base interactions energy: -693.825 where: short stacking energy: -315.366 Base-Backbone interact. energy: -0.825 local terms energy: -336.388476 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -64.618 flat angles C4'-P-C4' energy: -74.187 flat angles P-C4'-P energy: -44.732 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: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1017.025710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.025710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.025710 (E_RNA) where: Base-Base interactions energy: -686.299 where: short stacking energy: -305.317 Base-Backbone interact. energy: -1.545 local terms energy: -329.181671 where: bonds (distance) C4'-P energy: -56.589 bonds (distance) P-C4' energy: -68.941 flat angles C4'-P-C4' energy: -78.275 flat angles P-C4'-P energy: -43.231 tors. eta vs tors. theta energy: -82.146 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: 55 Temperature: 1.050000 Total energy: -948.803957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.803957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.803957 (E_RNA) where: Base-Base interactions energy: -652.233 where: short stacking energy: -283.806 Base-Backbone interact. energy: -0.950 local terms energy: -295.621470 where: bonds (distance) C4'-P energy: -58.524 bonds (distance) P-C4' energy: -58.671 flat angles C4'-P-C4' energy: -68.571 flat angles P-C4'-P energy: -38.707 tors. eta vs tors. theta energy: -71.148 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: 5, replica: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -859.638506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.638506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.638506 (E_RNA) where: Base-Base interactions energy: -549.727 where: short stacking energy: -238.979 Base-Backbone interact. energy: -1.607 local terms energy: -308.304782 where: bonds (distance) C4'-P energy: -57.342 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -74.255 flat angles P-C4'-P energy: -43.904 tors. eta vs tors. theta energy: -70.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -758.121827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.121827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.121827 (E_RNA) where: Base-Base interactions energy: -485.030 where: short stacking energy: -209.734 Base-Backbone interact. energy: -0.469 local terms energy: -272.622625 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -54.952 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -33.097 tors. eta vs tors. theta energy: -49.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -703.180445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.180445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.180445 (E_RNA) where: Base-Base interactions energy: -432.346 where: short stacking energy: -200.989 Base-Backbone interact. energy: -1.111 local terms energy: -269.722894 where: bonds (distance) C4'-P energy: -75.352 bonds (distance) P-C4' energy: -62.592 flat angles C4'-P-C4' energy: -62.736 flat angles P-C4'-P energy: -31.816 tors. eta vs tors. theta energy: -37.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -556.172310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.172310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.172310 (E_RNA) where: Base-Base interactions energy: -316.226 where: short stacking energy: -156.268 Base-Backbone interact. energy: -0.534 local terms energy: -239.412373 where: bonds (distance) C4'-P energy: -55.497 bonds (distance) P-C4' energy: -63.292 flat angles C4'-P-C4' energy: -60.683 flat angles P-C4'-P energy: -37.502 tors. eta vs tors. theta energy: -22.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -373.528841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.528841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.528841 (E_RNA) where: Base-Base interactions energy: -181.099 where: short stacking energy: -92.189 Base-Backbone interact. energy: -0.725 local terms energy: -191.704611 where: bonds (distance) C4'-P energy: -53.441 bonds (distance) P-C4' energy: -61.429 flat angles C4'-P-C4' energy: -58.516 flat angles P-C4'-P energy: -22.313 tors. eta vs tors. theta energy: 3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -387.078984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.078984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.078984 (E_RNA) where: Base-Base interactions energy: -197.608 where: short stacking energy: -119.387 Base-Backbone interact. energy: 0.814 local terms energy: -190.285354 where: bonds (distance) C4'-P energy: -59.919 bonds (distance) P-C4' energy: -60.110 flat angles C4'-P-C4' energy: -41.389 flat angles P-C4'-P energy: -22.259 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1101.365007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.365007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.365007 (E_RNA) where: Base-Base interactions energy: -733.305 where: short stacking energy: -328.237 Base-Backbone interact. energy: -1.979 local terms energy: -366.080505 where: bonds (distance) C4'-P energy: -71.633 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -52.907 tors. eta vs tors. theta energy: -99.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1034.227995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.227995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.227995 (E_RNA) where: Base-Base interactions energy: -673.499 where: short stacking energy: -316.807 Base-Backbone interact. energy: -3.323 local terms energy: -357.405710 where: bonds (distance) C4'-P energy: -76.966 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -75.926 flat angles P-C4'-P energy: -55.931 tors. eta vs tors. theta energy: -88.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -994.953394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.953394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.953394 (E_RNA) where: Base-Base interactions energy: -681.048 where: short stacking energy: -307.994 Base-Backbone interact. energy: -0.086 local terms energy: -313.819405 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -68.337 flat angles P-C4'-P energy: -45.298 tors. eta vs tors. theta energy: -80.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -926.083092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.083092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.083092 (E_RNA) where: Base-Base interactions energy: -604.827 where: short stacking energy: -273.219 Base-Backbone interact. energy: -2.510 local terms energy: -318.746626 where: bonds (distance) C4'-P energy: -70.810 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -69.698 flat angles P-C4'-P energy: -39.678 tors. eta vs tors. theta energy: -74.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -875.567834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.567834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.567834 (E_RNA) where: Base-Base interactions energy: -571.161 where: short stacking energy: -256.759 Base-Backbone interact. energy: 0.039 local terms energy: -304.445686 where: bonds (distance) C4'-P energy: -63.366 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -66.798 flat angles P-C4'-P energy: -43.984 tors. eta vs tors. theta energy: -69.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -737.445917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.445917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.445917 (E_RNA) where: Base-Base interactions energy: -457.313 where: short stacking energy: -205.537 Base-Backbone interact. energy: -1.791 local terms energy: -278.342036 where: bonds (distance) C4'-P energy: -49.515 bonds (distance) P-C4' energy: -72.105 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -47.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -693.381633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.381633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.381633 (E_RNA) where: Base-Base interactions energy: -422.732 where: short stacking energy: -206.722 Base-Backbone interact. energy: -0.809 local terms energy: -269.841310 where: bonds (distance) C4'-P energy: -60.117 bonds (distance) P-C4' energy: -73.915 flat angles C4'-P-C4' energy: -55.386 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -38.702 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: 56 Temperature: 1.250000 Total energy: -560.281951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.281951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.281951 (E_RNA) where: Base-Base interactions energy: -346.153 where: short stacking energy: -162.064 Base-Backbone interact. energy: -1.656 local terms energy: -212.472354 where: bonds (distance) C4'-P energy: -49.843 bonds (distance) P-C4' energy: -39.879 flat angles C4'-P-C4' energy: -52.469 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: -32.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -335.337468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.337468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.337468 (E_RNA) where: Base-Base interactions energy: -151.817 where: short stacking energy: -96.427 Base-Backbone interact. energy: 1.406 local terms energy: -184.926046 where: bonds (distance) C4'-P energy: -50.326 bonds (distance) P-C4' energy: -52.875 flat angles C4'-P-C4' energy: -59.296 flat angles P-C4'-P energy: -23.272 tors. eta vs tors. theta energy: 0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -331.903115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.903115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.903115 (E_RNA) where: Base-Base interactions energy: -132.103 where: short stacking energy: -90.892 Base-Backbone interact. energy: 1.513 local terms energy: -201.313651 where: bonds (distance) C4'-P energy: -53.483 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -44.080 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: 5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1090.023361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.023361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.023361 (E_RNA) where: Base-Base interactions energy: -721.381 where: short stacking energy: -332.808 Base-Backbone interact. energy: -0.514 local terms energy: -368.127663 where: bonds (distance) C4'-P energy: -69.217 bonds (distance) P-C4' energy: -76.681 flat angles C4'-P-C4' energy: -77.698 flat angles P-C4'-P energy: -55.098 tors. eta vs tors. theta energy: -89.433 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: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1047.048150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.048150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.048150 (E_RNA) where: Base-Base interactions energy: -701.514 where: short stacking energy: -296.297 Base-Backbone interact. energy: -3.257 local terms energy: -342.277129 where: bonds (distance) C4'-P energy: -64.905 bonds (distance) P-C4' energy: -68.624 flat angles C4'-P-C4' energy: -79.240 flat angles P-C4'-P energy: -46.405 tors. eta vs tors. theta energy: -83.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -980.153190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.153190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.153190 (E_RNA) where: Base-Base interactions energy: -641.361 where: short stacking energy: -307.166 Base-Backbone interact. energy: -2.165 local terms energy: -336.627035 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -46.566 tors. eta vs tors. theta energy: -88.268 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: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -886.573592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.573592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.573592 (E_RNA) where: Base-Base interactions energy: -573.782 where: short stacking energy: -255.223 Base-Backbone interact. energy: -1.967 local terms energy: -310.824501 where: bonds (distance) C4'-P energy: -71.577 bonds (distance) P-C4' energy: -63.881 flat angles C4'-P-C4' energy: -61.312 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -71.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -879.497895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.497895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.497895 (E_RNA) where: Base-Base interactions energy: -577.758 where: short stacking energy: -268.480 Base-Backbone interact. energy: 0.249 local terms energy: -301.988814 where: bonds (distance) C4'-P energy: -54.364 bonds (distance) P-C4' energy: -66.104 flat angles C4'-P-C4' energy: -66.536 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: -72.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -725.223931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.223931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.223931 (E_RNA) where: Base-Base interactions energy: -460.635 where: short stacking energy: -220.844 Base-Backbone interact. energy: -1.331 local terms energy: -263.257150 where: bonds (distance) C4'-P energy: -60.268 bonds (distance) P-C4' energy: -58.892 flat angles C4'-P-C4' energy: -63.648 flat angles P-C4'-P energy: -32.886 tors. eta vs tors. theta energy: -47.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -686.053876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.053876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.053876 (E_RNA) where: Base-Base interactions energy: -413.679 where: short stacking energy: -187.787 Base-Backbone interact. energy: -0.216 local terms energy: -272.158973 where: bonds (distance) C4'-P energy: -69.248 bonds (distance) P-C4' energy: -47.933 flat angles C4'-P-C4' energy: -64.526 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: -46.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -464.027312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.027312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.027312 (E_RNA) where: Base-Base interactions energy: -230.073 where: short stacking energy: -120.290 Base-Backbone interact. energy: 2.611 local terms energy: -236.564916 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -62.672 flat angles P-C4'-P energy: -42.887 tors. eta vs tors. theta energy: -7.122 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: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -331.608213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.608213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.608213 (E_RNA) where: Base-Base interactions energy: -132.520 where: short stacking energy: -108.043 Base-Backbone interact. energy: 1.081 local terms energy: -200.168861 where: bonds (distance) C4'-P energy: -48.044 bonds (distance) P-C4' energy: -65.270 flat angles C4'-P-C4' energy: -53.026 flat angles P-C4'-P energy: -30.417 tors. eta vs tors. theta energy: -3.411 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: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -268.739935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.739935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.739935 (E_RNA) where: Base-Base interactions energy: -81.156 where: short stacking energy: -69.482 Base-Backbone interact. energy: -0.198 local terms energy: -187.386439 where: bonds (distance) C4'-P energy: -48.645 bonds (distance) P-C4' energy: -54.291 flat angles C4'-P-C4' energy: -42.765 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1081.730393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.730393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.730393 (E_RNA) where: Base-Base interactions energy: -726.732 where: short stacking energy: -316.097 Base-Backbone interact. energy: -2.255 local terms energy: -352.743324 where: bonds (distance) C4'-P energy: -65.837 bonds (distance) P-C4' energy: -66.898 flat angles C4'-P-C4' energy: -68.837 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -98.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1061.264043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.264043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.264043 (E_RNA) where: Base-Base interactions energy: -714.437 where: short stacking energy: -321.304 Base-Backbone interact. energy: -2.268 local terms energy: -344.559116 where: bonds (distance) C4'-P energy: -61.661 bonds (distance) P-C4' energy: -69.864 flat angles C4'-P-C4' energy: -75.090 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: -86.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1003.532371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.532371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.532371 (E_RNA) where: Base-Base interactions energy: -667.453 where: short stacking energy: -310.225 Base-Backbone interact. energy: -3.564 local terms energy: -332.515470 where: bonds (distance) C4'-P energy: -71.620 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -33.783 tors. eta vs tors. theta energy: -94.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -930.525433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.525433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.525433 (E_RNA) where: Base-Base interactions energy: -617.679 where: short stacking energy: -292.923 Base-Backbone interact. energy: 2.070 local terms energy: -314.916334 where: bonds (distance) C4'-P energy: -54.327 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -68.478 flat angles P-C4'-P energy: -40.968 tors. eta vs tors. theta energy: -85.891 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: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -881.897062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.897062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.897062 (E_RNA) where: Base-Base interactions energy: -568.449 where: short stacking energy: -263.159 Base-Backbone interact. energy: -0.803 local terms energy: -312.645365 where: bonds (distance) C4'-P energy: -59.255 bonds (distance) P-C4' energy: -60.751 flat angles C4'-P-C4' energy: -65.365 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: -79.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -781.659129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.659129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.659129 (E_RNA) where: Base-Base interactions energy: -510.019 where: short stacking energy: -232.212 Base-Backbone interact. energy: -0.487 local terms energy: -271.153730 where: bonds (distance) C4'-P energy: -62.225 bonds (distance) P-C4' energy: -58.220 flat angles C4'-P-C4' energy: -61.964 flat angles P-C4'-P energy: -35.970 tors. eta vs tors. theta energy: -52.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -674.094059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.094059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.094059 (E_RNA) where: Base-Base interactions energy: -406.071 where: short stacking energy: -188.031 Base-Backbone interact. energy: -0.273 local terms energy: -267.749724 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -60.312 flat angles C4'-P-C4' energy: -53.038 flat angles P-C4'-P energy: -32.747 tors. eta vs tors. theta energy: -50.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -450.639032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.639032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.639032 (E_RNA) where: Base-Base interactions energy: -210.350 where: short stacking energy: -123.279 Base-Backbone interact. energy: -0.895 local terms energy: -239.394201 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -69.600 flat angles C4'-P-C4' energy: -63.992 flat angles P-C4'-P energy: -36.846 tors. eta vs tors. theta energy: -17.208 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: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -330.336940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.336940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.336940 (E_RNA) where: Base-Base interactions energy: -121.333 where: short stacking energy: -110.919 Base-Backbone interact. energy: -1.542 local terms energy: -207.462153 where: bonds (distance) C4'-P energy: -53.273 bonds (distance) P-C4' energy: -62.335 flat angles C4'-P-C4' energy: -54.740 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: 2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -302.096556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.096556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.096556 (E_RNA) where: Base-Base interactions energy: -127.739 where: short stacking energy: -102.093 Base-Backbone interact. energy: -1.180 local terms energy: -173.177037 where: bonds (distance) C4'-P energy: -51.937 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -41.480 flat angles P-C4'-P energy: -20.509 tors. eta vs tors. theta energy: 1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1077.077133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.077133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.077133 (E_RNA) where: Base-Base interactions energy: -724.008 where: short stacking energy: -318.268 Base-Backbone interact. energy: -1.638 local terms energy: -351.430433 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -52.810 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: 2, replica: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1032.590820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.590820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.590820 (E_RNA) where: Base-Base interactions energy: -682.079 where: short stacking energy: -307.177 Base-Backbone interact. energy: -0.701 local terms energy: -349.810671 where: bonds (distance) C4'-P energy: -71.373 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -77.867 flat angles P-C4'-P energy: -42.763 tors. eta vs tors. theta energy: -90.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -978.107160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.107160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.107160 (E_RNA) where: Base-Base interactions energy: -640.557 where: short stacking energy: -277.112 Base-Backbone interact. energy: 0.232 local terms energy: -337.782886 where: bonds (distance) C4'-P energy: -67.906 bonds (distance) P-C4' energy: -68.849 flat angles C4'-P-C4' energy: -73.277 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: -81.641 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: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -933.791417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.791417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.791417 (E_RNA) where: Base-Base interactions energy: -613.226 where: short stacking energy: -296.391 Base-Backbone interact. energy: -1.185 local terms energy: -319.379622 where: bonds (distance) C4'-P energy: -49.903 bonds (distance) P-C4' energy: -72.024 flat angles C4'-P-C4' energy: -75.262 flat angles P-C4'-P energy: -46.877 tors. eta vs tors. theta energy: -75.314 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: 59 Temperature: 1.100000 Total energy: -849.901876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.901876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.901876 (E_RNA) where: Base-Base interactions energy: -554.923 where: short stacking energy: -224.984 Base-Backbone interact. energy: -3.186 local terms energy: -291.792877 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -66.211 flat angles P-C4'-P energy: -33.206 tors. eta vs tors. theta energy: -70.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -811.590780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.590780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.590780 (E_RNA) where: Base-Base interactions energy: -530.686 where: short stacking energy: -248.681 Base-Backbone interact. energy: -1.864 local terms energy: -279.040992 where: bonds (distance) C4'-P energy: -48.875 bonds (distance) P-C4' energy: -60.345 flat angles C4'-P-C4' energy: -66.385 flat angles P-C4'-P energy: -45.490 tors. eta vs tors. theta energy: -57.946 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: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -654.556316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.556316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.556316 (E_RNA) where: Base-Base interactions energy: -405.755 where: short stacking energy: -177.640 Base-Backbone interact. energy: 0.344 local terms energy: -249.146131 where: bonds (distance) C4'-P energy: -59.420 bonds (distance) P-C4' energy: -60.022 flat angles C4'-P-C4' energy: -56.001 flat angles P-C4'-P energy: -38.411 tors. eta vs tors. theta energy: -35.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -456.792679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.792679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.792679 (E_RNA) where: Base-Base interactions energy: -222.478 where: short stacking energy: -144.078 Base-Backbone interact. energy: 1.216 local terms energy: -235.531361 where: bonds (distance) C4'-P energy: -62.578 bonds (distance) P-C4' energy: -71.572 flat angles C4'-P-C4' energy: -58.506 flat angles P-C4'-P energy: -27.024 tors. eta vs tors. theta energy: -15.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -330.616501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.616501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.616501 (E_RNA) where: Base-Base interactions energy: -135.580 where: short stacking energy: -79.287 Base-Backbone interact. energy: 2.593 local terms energy: -197.629250 where: bonds (distance) C4'-P energy: -64.176 bonds (distance) P-C4' energy: -71.206 flat angles C4'-P-C4' energy: -44.684 flat angles P-C4'-P energy: -33.198 tors. eta vs tors. theta energy: 15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -269.531738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.531738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.531738 (E_RNA) where: Base-Base interactions energy: -89.280 where: short stacking energy: -80.606 Base-Backbone interact. energy: 0.930 local terms energy: -181.181388 where: bonds (distance) C4'-P energy: -63.782 bonds (distance) P-C4' energy: -58.085 flat angles C4'-P-C4' energy: -44.774 flat angles P-C4'-P energy: -21.464 tors. eta vs tors. theta energy: 6.924 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: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1080.820952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.820952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.820952 (E_RNA) where: Base-Base interactions energy: -715.306 where: short stacking energy: -296.539 Base-Backbone interact. energy: -2.766 local terms energy: -362.749206 where: bonds (distance) C4'-P energy: -71.618 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -82.886 flat angles P-C4'-P energy: -48.967 tors. eta vs tors. theta energy: -95.215 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: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1038.191041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.191041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.191041 (E_RNA) where: Base-Base interactions energy: -700.448 where: short stacking energy: -299.018 Base-Backbone interact. energy: -1.899 local terms energy: -335.844374 where: bonds (distance) C4'-P energy: -61.401 bonds (distance) P-C4' energy: -68.412 flat angles C4'-P-C4' energy: -74.569 flat angles P-C4'-P energy: -51.251 tors. eta vs tors. theta energy: -80.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -975.827151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.827151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.827151 (E_RNA) where: Base-Base interactions energy: -651.604 where: short stacking energy: -292.754 Base-Backbone interact. energy: -2.351 local terms energy: -321.872372 where: bonds (distance) C4'-P energy: -55.770 bonds (distance) P-C4' energy: -71.937 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -50.235 tors. eta vs tors. theta energy: -78.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -927.179866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.179866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.179866 (E_RNA) where: Base-Base interactions energy: -613.558 where: short stacking energy: -266.667 Base-Backbone interact. energy: -0.803 local terms energy: -312.818860 where: bonds (distance) C4'-P energy: -64.230 bonds (distance) P-C4' energy: -61.414 flat angles C4'-P-C4' energy: -78.797 flat angles P-C4'-P energy: -34.277 tors. eta vs tors. theta energy: -74.101 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: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -900.550742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.550742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.550742 (E_RNA) where: Base-Base interactions energy: -593.997 where: short stacking energy: -270.997 Base-Backbone interact. energy: -1.650 local terms energy: -304.903990 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -59.302 flat angles C4'-P-C4' energy: -64.217 flat angles P-C4'-P energy: -49.156 tors. eta vs tors. theta energy: -66.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -764.031951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.031951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.031951 (E_RNA) where: Base-Base interactions energy: -474.782 where: short stacking energy: -213.724 Base-Backbone interact. energy: -1.382 local terms energy: -287.868031 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -67.471 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -39.176 tors. eta vs tors. theta energy: -59.435 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: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -698.078759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.078759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.078759 (E_RNA) where: Base-Base interactions energy: -442.648 where: short stacking energy: -201.743 Base-Backbone interact. energy: 0.887 local terms energy: -256.318538 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -55.959 flat angles P-C4'-P energy: -34.301 tors. eta vs tors. theta energy: -40.632 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: 60 Temperature: 1.250000 Total energy: -461.660751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.660751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.660751 (E_RNA) where: Base-Base interactions energy: -240.212 where: short stacking energy: -127.400 Base-Backbone interact. energy: -1.445 local terms energy: -220.003667 where: bonds (distance) C4'-P energy: -55.863 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -49.486 flat angles P-C4'-P energy: -25.214 tors. eta vs tors. theta energy: -18.097 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: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -299.553916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.553916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.553916 (E_RNA) where: Base-Base interactions energy: -106.076 where: short stacking energy: -89.346 Base-Backbone interact. energy: -1.555 local terms energy: -191.922632 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -48.786 flat angles P-C4'-P energy: -26.438 tors. eta vs tors. theta energy: 12.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -295.720259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.720259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.720259 (E_RNA) where: Base-Base interactions energy: -128.347 where: short stacking energy: -97.743 Base-Backbone interact. energy: 3.593 local terms energy: -170.966626 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -33.592 flat angles P-C4'-P energy: -30.513 tors. eta vs tors. theta energy: 7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1059.850320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.850320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.850320 (E_RNA) where: Base-Base interactions energy: -713.625 where: short stacking energy: -304.299 Base-Backbone interact. energy: -2.649 local terms energy: -343.575748 where: bonds (distance) C4'-P energy: -67.897 bonds (distance) P-C4' energy: -61.693 flat angles C4'-P-C4' energy: -76.879 flat angles P-C4'-P energy: -52.549 tors. eta vs tors. theta energy: -84.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1034.984089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.984089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.984089 (E_RNA) where: Base-Base interactions energy: -700.876 where: short stacking energy: -297.720 Base-Backbone interact. energy: -1.105 local terms energy: -333.003460 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -69.914 flat angles C4'-P-C4' energy: -74.780 flat angles P-C4'-P energy: -39.081 tors. eta vs tors. theta energy: -84.661 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: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -976.261448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.261448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.261448 (E_RNA) where: Base-Base interactions energy: -647.930 where: short stacking energy: -311.924 Base-Backbone interact. energy: -1.194 local terms energy: -327.136814 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -67.390 flat angles C4'-P-C4' energy: -67.424 flat angles P-C4'-P energy: -46.545 tors. eta vs tors. theta energy: -79.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -947.543222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.543222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.543222 (E_RNA) where: Base-Base interactions energy: -588.587 where: short stacking energy: -280.180 Base-Backbone interact. energy: -0.267 local terms energy: -358.688982 where: bonds (distance) C4'-P energy: -65.076 bonds (distance) P-C4' energy: -67.396 flat angles C4'-P-C4' energy: -68.655 flat angles P-C4'-P energy: -62.962 tors. eta vs tors. theta energy: -94.600 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: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -835.570067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.570067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.570067 (E_RNA) where: Base-Base interactions energy: -528.625 where: short stacking energy: -245.514 Base-Backbone interact. energy: -1.794 local terms energy: -305.151472 where: bonds (distance) C4'-P energy: -59.911 bonds (distance) P-C4' energy: -64.261 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -43.659 tors. eta vs tors. theta energy: -70.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -765.418745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.418745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.418745 (E_RNA) where: Base-Base interactions energy: -489.830 where: short stacking energy: -231.241 Base-Backbone interact. energy: -0.592 local terms energy: -274.997451 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -66.256 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -36.747 tors. eta vs tors. theta energy: -58.474 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: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -652.684762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.684762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.684762 (E_RNA) where: Base-Base interactions energy: -395.755 where: short stacking energy: -180.446 Base-Backbone interact. energy: -0.211 local terms energy: -256.718563 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -39.531 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: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -463.250544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.250544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.250544 (E_RNA) where: Base-Base interactions energy: -242.265 where: short stacking energy: -137.606 Base-Backbone interact. energy: -0.810 local terms energy: -220.175444 where: bonds (distance) C4'-P energy: -50.174 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -51.916 flat angles P-C4'-P energy: -27.191 tors. eta vs tors. theta energy: -31.569 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: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -296.315457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.315457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.315457 (E_RNA) where: Base-Base interactions energy: -93.009 where: short stacking energy: -78.794 Base-Backbone interact. energy: -0.460 local terms energy: -202.846288 where: bonds (distance) C4'-P energy: -60.976 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -56.747 flat angles P-C4'-P energy: -36.367 tors. eta vs tors. theta energy: 17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -335.082485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.082485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.082485 (E_RNA) where: Base-Base interactions energy: -125.319 where: short stacking energy: -85.853 Base-Backbone interact. energy: -1.268 local terms energy: -208.495420 where: bonds (distance) C4'-P energy: -52.599 bonds (distance) P-C4' energy: -59.296 flat angles C4'-P-C4' energy: -65.716 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: -1.652 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: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1070.394914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.394914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.394914 (E_RNA) where: Base-Base interactions energy: -718.927 where: short stacking energy: -311.908 Base-Backbone interact. energy: 0.100 local terms energy: -351.568575 where: bonds (distance) C4'-P energy: -69.391 bonds (distance) P-C4' energy: -65.920 flat angles C4'-P-C4' energy: -78.602 flat angles P-C4'-P energy: -46.060 tors. eta vs tors. theta energy: -91.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1045.048655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.048655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.048655 (E_RNA) where: Base-Base interactions energy: -701.949 where: short stacking energy: -313.137 Base-Backbone interact. energy: -0.341 local terms energy: -342.757957 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -70.190 flat angles P-C4'-P energy: -48.079 tors. eta vs tors. theta energy: -89.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -996.113380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.113380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.113380 (E_RNA) where: Base-Base interactions energy: -638.774 where: short stacking energy: -323.274 Base-Backbone interact. energy: -1.091 local terms energy: -356.248841 where: bonds (distance) C4'-P energy: -68.526 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -97.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -951.110688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.110688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.110688 (E_RNA) where: Base-Base interactions energy: -616.205 where: short stacking energy: -287.444 Base-Backbone interact. energy: -1.630 local terms energy: -333.276232 where: bonds (distance) C4'-P energy: -60.995 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -80.204 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -86.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -834.955360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.955360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.955360 (E_RNA) where: Base-Base interactions energy: -538.414 where: short stacking energy: -263.280 Base-Backbone interact. energy: -2.492 local terms energy: -294.049786 where: bonds (distance) C4'-P energy: -55.584 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -58.863 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -70.475 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: 62 Temperature: 1.150000 Total energy: -762.557752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.557752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.557752 (E_RNA) where: Base-Base interactions energy: -478.159 where: short stacking energy: -230.185 Base-Backbone interact. energy: -1.998 local terms energy: -282.401055 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -54.763 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -31.893 tors. eta vs tors. theta energy: -60.804 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: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -655.156945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.156945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.156945 (E_RNA) where: Base-Base interactions energy: -406.083 where: short stacking energy: -192.261 Base-Backbone interact. energy: -0.564 local terms energy: -248.509936 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -56.943 flat angles P-C4'-P energy: -25.162 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: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -486.806602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.806602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.806602 (E_RNA) where: Base-Base interactions energy: -240.233 where: short stacking energy: -138.419 Base-Backbone interact. energy: -0.462 local terms energy: -246.111997 where: bonds (distance) C4'-P energy: -64.608 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -56.210 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: -18.373 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: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -340.192995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.192995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.192995 (E_RNA) where: Base-Base interactions energy: -149.908 where: short stacking energy: -112.337 Base-Backbone interact. energy: 2.713 local terms energy: -192.997741 where: bonds (distance) C4'-P energy: -49.402 bonds (distance) P-C4' energy: -56.801 flat angles C4'-P-C4' energy: -44.827 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -8.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -325.160098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.160098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.160098 (E_RNA) where: Base-Base interactions energy: -140.058 where: short stacking energy: -78.768 Base-Backbone interact. energy: 2.314 local terms energy: -187.416194 where: bonds (distance) C4'-P energy: -52.743 bonds (distance) P-C4' energy: -55.417 flat angles C4'-P-C4' energy: -48.652 flat angles P-C4'-P energy: -32.848 tors. eta vs tors. theta energy: 2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1090.190943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.190943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.190943 (E_RNA) where: Base-Base interactions energy: -725.258 where: short stacking energy: -322.724 Base-Backbone interact. energy: -1.193 local terms energy: -363.739789 where: bonds (distance) C4'-P energy: -66.954 bonds (distance) P-C4' energy: -67.530 flat angles C4'-P-C4' energy: -78.326 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -97.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1034.930296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.930296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.930296 (E_RNA) where: Base-Base interactions energy: -674.799 where: short stacking energy: -282.201 Base-Backbone interact. energy: -2.147 local terms energy: -357.983904 where: bonds (distance) C4'-P energy: -72.386 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -80.757 flat angles P-C4'-P energy: -53.199 tors. eta vs tors. theta energy: -76.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -972.837597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.837597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.837597 (E_RNA) where: Base-Base interactions energy: -640.323 where: short stacking energy: -299.201 Base-Backbone interact. energy: -2.668 local terms energy: -329.847071 where: bonds (distance) C4'-P energy: -69.482 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -62.766 flat angles P-C4'-P energy: -50.342 tors. eta vs tors. theta energy: -86.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -920.355761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.355761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.355761 (E_RNA) where: Base-Base interactions energy: -619.237 where: short stacking energy: -266.864 Base-Backbone interact. energy: -1.023 local terms energy: -300.095584 where: bonds (distance) C4'-P energy: -60.543 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -63.328 flat angles P-C4'-P energy: -41.303 tors. eta vs tors. theta energy: -73.655 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: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -778.592060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.592060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.592060 (E_RNA) where: Base-Base interactions energy: -494.210 where: short stacking energy: -223.565 Base-Backbone interact. energy: -0.872 local terms energy: -283.510791 where: bonds (distance) C4'-P energy: -71.020 bonds (distance) P-C4' energy: -57.814 flat angles C4'-P-C4' energy: -61.739 flat angles P-C4'-P energy: -43.326 tors. eta vs tors. theta energy: -49.611 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: 63 Temperature: 1.150000 Total energy: -785.802720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.802720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.802720 (E_RNA) where: Base-Base interactions energy: -489.767 where: short stacking energy: -221.648 Base-Backbone interact. energy: -1.930 local terms energy: -294.105311 where: bonds (distance) C4'-P energy: -60.172 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -71.051 flat angles P-C4'-P energy: -44.143 tors. eta vs tors. theta energy: -54.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -651.017587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.017587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.017587 (E_RNA) where: Base-Base interactions energy: -373.610 where: short stacking energy: -175.879 Base-Backbone interact. energy: -1.142 local terms energy: -276.265293 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -59.361 flat angles P-C4'-P energy: -46.090 tors. eta vs tors. theta energy: -39.771 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: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -485.260592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.260592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.260592 (E_RNA) where: Base-Base interactions energy: -256.708 where: short stacking energy: -143.763 Base-Backbone interact. energy: -0.107 local terms energy: -228.445403 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -57.567 flat angles C4'-P-C4' energy: -64.029 flat angles P-C4'-P energy: -32.968 tors. eta vs tors. theta energy: -18.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -348.647333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.647333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.647333 (E_RNA) where: Base-Base interactions energy: -140.649 where: short stacking energy: -90.301 Base-Backbone interact. energy: -1.739 local terms energy: -206.259566 where: bonds (distance) C4'-P energy: -59.662 bonds (distance) P-C4' energy: -58.788 flat angles C4'-P-C4' energy: -57.639 flat angles P-C4'-P energy: -29.836 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -410.053388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.053388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.053388 (E_RNA) where: Base-Base interactions energy: -199.457 where: short stacking energy: -113.179 Base-Backbone interact. energy: -0.542 local terms energy: -210.054037 where: bonds (distance) C4'-P energy: -47.599 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -38.840 tors. eta vs tors. theta energy: -1.851 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: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1066.196742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.196742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.196742 (E_RNA) where: Base-Base interactions energy: -723.054 where: short stacking energy: -320.307 Base-Backbone interact. energy: -2.161 local terms energy: -340.982045 where: bonds (distance) C4'-P energy: -58.111 bonds (distance) P-C4' energy: -69.241 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: -83.445 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: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1048.608250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.608250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.608250 (E_RNA) where: Base-Base interactions energy: -696.533 where: short stacking energy: -336.992 Base-Backbone interact. energy: -0.389 local terms energy: -351.686197 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -61.560 flat angles C4'-P-C4' energy: -75.965 flat angles P-C4'-P energy: -49.887 tors. eta vs tors. theta energy: -98.423 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: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -944.206087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.206087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.206087 (E_RNA) where: Base-Base interactions energy: -619.448 where: short stacking energy: -280.580 Base-Backbone interact. energy: 2.186 local terms energy: -326.944140 where: bonds (distance) C4'-P energy: -67.515 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -68.589 flat angles P-C4'-P energy: -47.737 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: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -947.326282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.326282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.326282 (E_RNA) where: Base-Base interactions energy: -615.315 where: short stacking energy: -311.566 Base-Backbone interact. energy: -3.176 local terms energy: -328.834747 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -68.314 flat angles C4'-P-C4' energy: -67.654 flat angles P-C4'-P energy: -44.014 tors. eta vs tors. theta energy: -89.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -824.583775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.583775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.583775 (E_RNA) where: Base-Base interactions energy: -525.784 where: short stacking energy: -246.889 Base-Backbone interact. energy: -1.755 local terms energy: -297.045107 where: bonds (distance) C4'-P energy: -65.532 bonds (distance) P-C4' energy: -57.020 flat angles C4'-P-C4' energy: -68.810 flat angles P-C4'-P energy: -48.292 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: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -789.646845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.646845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.646845 (E_RNA) where: Base-Base interactions energy: -505.594 where: short stacking energy: -219.991 Base-Backbone interact. energy: -1.101 local terms energy: -282.952571 where: bonds (distance) C4'-P energy: -70.467 bonds (distance) P-C4' energy: -59.994 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -41.918 tors. eta vs tors. theta energy: -48.148 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: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -675.757990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.757990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.757990 (E_RNA) where: Base-Base interactions energy: -450.825 where: short stacking energy: -203.323 Base-Backbone interact. energy: 0.776 local terms energy: -225.708897 where: bonds (distance) C4'-P energy: -48.810 bonds (distance) P-C4' energy: -55.046 flat angles C4'-P-C4' energy: -53.271 flat angles P-C4'-P energy: -29.899 tors. eta vs tors. theta energy: -38.683 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -466.973944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.973944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.973944 (E_RNA) where: Base-Base interactions energy: -232.684 where: short stacking energy: -127.802 Base-Backbone interact. energy: -1.161 local terms energy: -233.128894 where: bonds (distance) C4'-P energy: -70.232 bonds (distance) P-C4' energy: -52.504 flat angles C4'-P-C4' energy: -52.708 flat angles P-C4'-P energy: -44.808 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: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -405.618275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.618275 (E_RNA) where: Base-Base interactions energy: -197.909 where: short stacking energy: -106.113 Base-Backbone interact. energy: -2.021 local terms energy: -205.688730 where: bonds (distance) C4'-P energy: -41.273 bonds (distance) P-C4' energy: -67.986 flat angles C4'-P-C4' energy: -54.351 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: 5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -272.052619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.052619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.052619 (E_RNA) where: Base-Base interactions energy: -95.776 where: short stacking energy: -94.461 Base-Backbone interact. energy: -1.502 local terms energy: -174.774623 where: bonds (distance) C4'-P energy: -40.115 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -47.273 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: 13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1063.248634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.248634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.248634 (E_RNA) where: Base-Base interactions energy: -713.489 where: short stacking energy: -310.400 Base-Backbone interact. energy: -2.755 local terms energy: -347.004378 where: bonds (distance) C4'-P energy: -67.532 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -77.673 flat angles P-C4'-P energy: -50.794 tors. eta vs tors. theta energy: -84.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1067.577041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.577041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.577041 (E_RNA) where: Base-Base interactions energy: -710.838 where: short stacking energy: -320.719 Base-Backbone interact. energy: -0.469 local terms energy: -356.269978 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -74.489 flat angles C4'-P-C4' energy: -70.541 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -97.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -936.351004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.351004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.351004 (E_RNA) where: Base-Base interactions energy: -610.517 where: short stacking energy: -279.438 Base-Backbone interact. energy: 0.472 local terms energy: -326.305970 where: bonds (distance) C4'-P energy: -67.326 bonds (distance) P-C4' energy: -66.799 flat angles C4'-P-C4' energy: -76.436 flat angles P-C4'-P energy: -41.235 tors. eta vs tors. theta energy: -74.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -922.082645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.082645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.082645 (E_RNA) where: Base-Base interactions energy: -598.876 where: short stacking energy: -270.770 Base-Backbone interact. energy: -2.074 local terms energy: -321.133194 where: bonds (distance) C4'-P energy: -62.515 bonds (distance) P-C4' energy: -67.051 flat angles C4'-P-C4' energy: -70.159 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: -70.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -789.710414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.710414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.710414 (E_RNA) where: Base-Base interactions energy: -500.174 where: short stacking energy: -237.847 Base-Backbone interact. energy: -1.497 local terms energy: -288.039460 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -66.432 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -58.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -819.762114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.762114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.762114 (E_RNA) where: Base-Base interactions energy: -529.074 where: short stacking energy: -240.778 Base-Backbone interact. energy: -1.921 local terms energy: -288.767053 where: bonds (distance) C4'-P energy: -51.821 bonds (distance) P-C4' energy: -72.314 flat angles C4'-P-C4' energy: -58.112 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -60.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -723.011050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.011050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.011050 (E_RNA) where: Base-Base interactions energy: -473.247 where: short stacking energy: -203.736 Base-Backbone interact. energy: -0.443 local terms energy: -249.321571 where: bonds (distance) C4'-P energy: -49.371 bonds (distance) P-C4' energy: -57.874 flat angles C4'-P-C4' energy: -61.759 flat angles P-C4'-P energy: -40.517 tors. eta vs tors. theta energy: -39.800 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: 65 Temperature: 1.250000 Total energy: -422.729622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.729622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.729622 (E_RNA) where: Base-Base interactions energy: -211.272 where: short stacking energy: -118.346 Base-Backbone interact. energy: -1.849 local terms energy: -209.608058 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -55.155 flat angles C4'-P-C4' energy: -49.434 flat angles P-C4'-P energy: -39.145 tors. eta vs tors. theta energy: -9.329 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: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -365.301182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.301182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.301182 (E_RNA) where: Base-Base interactions energy: -183.772 where: short stacking energy: -128.659 Base-Backbone interact. energy: -0.270 local terms energy: -181.258667 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -70.609 flat angles C4'-P-C4' energy: -32.944 flat angles P-C4'-P energy: -29.667 tors. eta vs tors. theta energy: 0.518 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: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -306.044126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.044126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.044126 (E_RNA) where: Base-Base interactions energy: -127.431 where: short stacking energy: -100.557 Base-Backbone interact. energy: -0.893 local terms energy: -177.720315 where: bonds (distance) C4'-P energy: -49.325 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -45.783 flat angles P-C4'-P energy: -27.990 tors. eta vs tors. theta energy: 6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1078.699077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.699077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.699077 (E_RNA) where: Base-Base interactions energy: -722.944 where: short stacking energy: -332.168 Base-Backbone interact. energy: -1.986 local terms energy: -353.769486 where: bonds (distance) C4'-P energy: -66.929 bonds (distance) P-C4' energy: -74.640 flat angles C4'-P-C4' energy: -74.946 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -85.865 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: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1046.225179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.225179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.225179 (E_RNA) where: Base-Base interactions energy: -696.494 where: short stacking energy: -313.608 Base-Backbone interact. energy: -4.531 local terms energy: -345.199513 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -69.141 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -92.876 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: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -956.719014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.719014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.719014 (E_RNA) where: Base-Base interactions energy: -631.806 where: short stacking energy: -306.120 Base-Backbone interact. energy: -1.680 local terms energy: -323.233059 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -63.102 flat angles C4'-P-C4' energy: -74.307 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -80.304 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: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -933.776209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.776209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.776209 (E_RNA) where: Base-Base interactions energy: -589.813 where: short stacking energy: -300.491 Base-Backbone interact. energy: -1.635 local terms energy: -342.328238 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -69.925 flat angles C4'-P-C4' energy: -75.954 flat angles P-C4'-P energy: -49.075 tors. eta vs tors. theta energy: -81.999 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: 66 Temperature: 1.100000 Total energy: -798.510304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.510304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.510304 (E_RNA) where: Base-Base interactions energy: -530.199 where: short stacking energy: -230.074 Base-Backbone interact. energy: -2.908 local terms energy: -265.403802 where: bonds (distance) C4'-P energy: -59.577 bonds (distance) P-C4' energy: -57.603 flat angles C4'-P-C4' energy: -49.665 flat angles P-C4'-P energy: -44.070 tors. eta vs tors. theta energy: -54.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -772.975955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.975955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.975955 (E_RNA) where: Base-Base interactions energy: -488.694 where: short stacking energy: -249.920 Base-Backbone interact. energy: -1.558 local terms energy: -282.723120 where: bonds (distance) C4'-P energy: -63.832 bonds (distance) P-C4' energy: -67.737 flat angles C4'-P-C4' energy: -57.198 flat angles P-C4'-P energy: -36.362 tors. eta vs tors. theta energy: -57.594 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: 66 Temperature: 1.200000 Total energy: -695.590937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.590937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.590937 (E_RNA) where: Base-Base interactions energy: -452.886 where: short stacking energy: -201.183 Base-Backbone interact. energy: -1.510 local terms energy: -241.195208 where: bonds (distance) C4'-P energy: -55.786 bonds (distance) P-C4' energy: -56.260 flat angles C4'-P-C4' energy: -58.446 flat angles P-C4'-P energy: -36.931 tors. eta vs tors. theta energy: -33.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -421.922362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.922362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.922362 (E_RNA) where: Base-Base interactions energy: -199.281 where: short stacking energy: -127.701 Base-Backbone interact. energy: -0.164 local terms energy: -222.477139 where: bonds (distance) C4'-P energy: -48.857 bonds (distance) P-C4' energy: -54.404 flat angles C4'-P-C4' energy: -59.838 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -349.727216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.727216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.727216 (E_RNA) where: Base-Base interactions energy: -150.790 where: short stacking energy: -111.914 Base-Backbone interact. energy: -1.435 local terms energy: -197.501404 where: bonds (distance) C4'-P energy: -51.071 bonds (distance) P-C4' energy: -44.055 flat angles C4'-P-C4' energy: -64.761 flat angles P-C4'-P energy: -33.197 tors. eta vs tors. theta energy: -4.418 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: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -295.049993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.049993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.049993 (E_RNA) where: Base-Base interactions energy: -104.719 where: short stacking energy: -95.959 Base-Backbone interact. energy: 2.403 local terms energy: -192.733673 where: bonds (distance) C4'-P energy: -56.919 bonds (distance) P-C4' energy: -62.137 flat angles C4'-P-C4' energy: -40.427 flat angles P-C4'-P energy: -28.523 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1085.833575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.833575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.833575 (E_RNA) where: Base-Base interactions energy: -738.806 where: short stacking energy: -317.928 Base-Backbone interact. energy: 1.714 local terms energy: -348.741323 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -80.868 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -89.562 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: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1053.483189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.483189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.483189 (E_RNA) where: Base-Base interactions energy: -697.866 where: short stacking energy: -294.827 Base-Backbone interact. energy: -1.256 local terms energy: -354.361494 where: bonds (distance) C4'-P energy: -71.523 bonds (distance) P-C4' energy: -71.416 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -51.147 tors. eta vs tors. theta energy: -91.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -889.336616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.336616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.336616 (E_RNA) where: Base-Base interactions energy: -593.601 where: short stacking energy: -269.023 Base-Backbone interact. energy: -0.992 local terms energy: -294.743776 where: bonds (distance) C4'-P energy: -57.447 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -66.082 flat angles P-C4'-P energy: -38.033 tors. eta vs tors. theta energy: -69.633 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: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -914.379517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.379517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.379517 (E_RNA) where: Base-Base interactions energy: -592.371 where: short stacking energy: -260.493 Base-Backbone interact. energy: -0.860 local terms energy: -321.148037 where: bonds (distance) C4'-P energy: -78.063 bonds (distance) P-C4' energy: -67.598 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -66.780 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -837.920769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.920769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.920769 (E_RNA) where: Base-Base interactions energy: -531.455 where: short stacking energy: -243.258 Base-Backbone interact. energy: -0.879 local terms energy: -305.587185 where: bonds (distance) C4'-P energy: -59.924 bonds (distance) P-C4' energy: -70.700 flat angles C4'-P-C4' energy: -70.887 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -61.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -714.011715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.011715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.011715 (E_RNA) where: Base-Base interactions energy: -450.195 where: short stacking energy: -208.524 Base-Backbone interact. energy: -2.242 local terms energy: -261.575194 where: bonds (distance) C4'-P energy: -51.530 bonds (distance) P-C4' energy: -49.391 flat angles C4'-P-C4' energy: -76.466 flat angles P-C4'-P energy: -30.419 tors. eta vs tors. theta energy: -53.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -658.751332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.751332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.751332 (E_RNA) where: Base-Base interactions energy: -392.461 where: short stacking energy: -165.697 Base-Backbone interact. energy: 1.494 local terms energy: -267.784502 where: bonds (distance) C4'-P energy: -60.094 bonds (distance) P-C4' energy: -71.100 flat angles C4'-P-C4' energy: -60.535 flat angles P-C4'-P energy: -33.307 tors. eta vs tors. theta energy: -42.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -450.534810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.534810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.534810 (E_RNA) where: Base-Base interactions energy: -233.823 where: short stacking energy: -120.771 Base-Backbone interact. energy: 4.091 local terms energy: -220.802423 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -52.111 flat angles P-C4'-P energy: -36.516 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -303.965802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.965802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.965802 (E_RNA) where: Base-Base interactions energy: -120.270 where: short stacking energy: -111.440 Base-Backbone interact. energy: -0.545 local terms energy: -183.150439 where: bonds (distance) C4'-P energy: -56.306 bonds (distance) P-C4' energy: -52.770 flat angles C4'-P-C4' energy: -52.975 flat angles P-C4'-P energy: -16.665 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -317.520329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.520329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.520329 (E_RNA) where: Base-Base interactions energy: -108.778 where: short stacking energy: -94.258 Base-Backbone interact. energy: -1.673 local terms energy: -207.068542 where: bonds (distance) C4'-P energy: -63.795 bonds (distance) P-C4' energy: -61.683 flat angles C4'-P-C4' energy: -52.763 flat angles P-C4'-P energy: -28.020 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1091.866715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.866715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.866715 (E_RNA) where: Base-Base interactions energy: -723.465 where: short stacking energy: -311.140 Base-Backbone interact. energy: -2.335 local terms energy: -366.066274 where: bonds (distance) C4'-P energy: -68.428 bonds (distance) P-C4' energy: -76.733 flat angles C4'-P-C4' energy: -75.593 flat angles P-C4'-P energy: -55.655 tors. eta vs tors. theta energy: -89.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1047.777459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.777459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.777459 (E_RNA) where: Base-Base interactions energy: -717.789 where: short stacking energy: -296.767 Base-Backbone interact. energy: -1.406 local terms energy: -328.582814 where: bonds (distance) C4'-P energy: -63.608 bonds (distance) P-C4' energy: -68.137 flat angles C4'-P-C4' energy: -69.362 flat angles P-C4'-P energy: -45.422 tors. eta vs tors. theta energy: -82.055 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: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -908.536887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.536887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.536887 (E_RNA) where: Base-Base interactions energy: -595.055 where: short stacking energy: -279.557 Base-Backbone interact. energy: -1.369 local terms energy: -312.112207 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -68.060 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -78.136 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: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -917.341760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.341760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.341760 (E_RNA) where: Base-Base interactions energy: -588.550 where: short stacking energy: -295.278 Base-Backbone interact. energy: -0.552 local terms energy: -328.239892 where: bonds (distance) C4'-P energy: -56.010 bonds (distance) P-C4' energy: -70.745 flat angles C4'-P-C4' energy: -79.685 flat angles P-C4'-P energy: -45.572 tors. eta vs tors. theta energy: -76.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -848.634805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.634805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.634805 (E_RNA) where: Base-Base interactions energy: -563.089 where: short stacking energy: -254.361 Base-Backbone interact. energy: 3.190 local terms energy: -288.735188 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -62.734 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -64.212 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -731.339689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.339689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.339689 (E_RNA) where: Base-Base interactions energy: -467.379 where: short stacking energy: -213.535 Base-Backbone interact. energy: -0.944 local terms energy: -263.017131 where: bonds (distance) C4'-P energy: -55.912 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -60.718 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -42.476 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: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -714.587966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.587966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.587966 (E_RNA) where: Base-Base interactions energy: -451.691 where: short stacking energy: -212.832 Base-Backbone interact. energy: 0.879 local terms energy: -263.775961 where: bonds (distance) C4'-P energy: -51.979 bonds (distance) P-C4' energy: -52.789 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -47.929 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: 68 Temperature: 1.250000 Total energy: -450.561101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.561101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.561101 (E_RNA) where: Base-Base interactions energy: -226.119 where: short stacking energy: -148.100 Base-Backbone interact. energy: -1.150 local terms energy: -223.291957 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -59.982 flat angles C4'-P-C4' energy: -50.534 flat angles P-C4'-P energy: -35.977 tors. eta vs tors. theta energy: -9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -300.695000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.695000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.695000 (E_RNA) where: Base-Base interactions energy: -114.120 where: short stacking energy: -92.603 Base-Backbone interact. energy: 3.682 local terms energy: -190.256740 where: bonds (distance) C4'-P energy: -58.667 bonds (distance) P-C4' energy: -55.724 flat angles C4'-P-C4' energy: -55.769 flat angles P-C4'-P energy: -26.974 tors. eta vs tors. theta energy: 6.876 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: 3 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -276.896164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.896164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.896164 (E_RNA) where: Base-Base interactions energy: -98.852 where: short stacking energy: -91.888 Base-Backbone interact. energy: 0.695 local terms energy: -178.739140 where: bonds (distance) C4'-P energy: -53.028 bonds (distance) P-C4' energy: -55.402 flat angles C4'-P-C4' energy: -55.919 flat angles P-C4'-P energy: -16.443 tors. eta vs tors. theta energy: 2.053 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: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1089.282266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.282266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.282266 (E_RNA) where: Base-Base interactions energy: -736.929 where: short stacking energy: -318.623 Base-Backbone interact. energy: -3.302 local terms energy: -349.051655 where: bonds (distance) C4'-P energy: -72.736 bonds (distance) P-C4' energy: -62.906 flat angles C4'-P-C4' energy: -72.853 flat angles P-C4'-P energy: -48.483 tors. eta vs tors. theta energy: -92.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1047.542604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.542604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.542604 (E_RNA) where: Base-Base interactions energy: -719.766 where: short stacking energy: -291.651 Base-Backbone interact. energy: -0.196 local terms energy: -327.581068 where: bonds (distance) C4'-P energy: -56.534 bonds (distance) P-C4' energy: -80.692 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -47.280 tors. eta vs tors. theta energy: -70.944 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: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -911.189761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.189761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.189761 (E_RNA) where: Base-Base interactions energy: -594.694 where: short stacking energy: -295.243 Base-Backbone interact. energy: -0.089 local terms energy: -316.406904 where: bonds (distance) C4'-P energy: -64.654 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -29.736 tors. eta vs tors. theta energy: -80.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -931.178934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.178934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.178934 (E_RNA) where: Base-Base interactions energy: -593.920 where: short stacking energy: -266.243 Base-Backbone interact. energy: -1.179 local terms energy: -336.080401 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -67.078 flat angles C4'-P-C4' energy: -76.755 flat angles P-C4'-P energy: -52.330 tors. eta vs tors. theta energy: -72.874 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: 69 Temperature: 1.100000 Total energy: -848.163134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.163134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.163134 (E_RNA) where: Base-Base interactions energy: -559.643 where: short stacking energy: -233.727 Base-Backbone interact. energy: -1.042 local terms energy: -287.477913 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -57.473 flat angles C4'-P-C4' energy: -70.512 flat angles P-C4'-P energy: -35.819 tors. eta vs tors. theta energy: -54.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -725.527614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.527614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.527614 (E_RNA) where: Base-Base interactions energy: -462.133 where: short stacking energy: -202.388 Base-Backbone interact. energy: -1.449 local terms energy: -261.945961 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -69.260 flat angles C4'-P-C4' energy: -60.171 flat angles P-C4'-P energy: -34.117 tors. eta vs tors. theta energy: -42.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -644.557737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.557737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.557737 (E_RNA) where: Base-Base interactions energy: -388.263 where: short stacking energy: -199.489 Base-Backbone interact. energy: -3.212 local terms energy: -253.082349 where: bonds (distance) C4'-P energy: -60.722 bonds (distance) P-C4' energy: -45.873 flat angles C4'-P-C4' energy: -71.477 flat angles P-C4'-P energy: -34.200 tors. eta vs tors. theta energy: -40.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -430.507377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.507377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.507377 (E_RNA) where: Base-Base interactions energy: -211.147 where: short stacking energy: -122.075 Base-Backbone interact. energy: -2.400 local terms energy: -216.960690 where: bonds (distance) C4'-P energy: -54.390 bonds (distance) P-C4' energy: -66.612 flat angles C4'-P-C4' energy: -43.442 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -11.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -327.943277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.943277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.943277 (E_RNA) where: Base-Base interactions energy: -115.613 where: short stacking energy: -106.742 Base-Backbone interact. energy: 0.114 local terms energy: -212.444349 where: bonds (distance) C4'-P energy: -58.270 bonds (distance) P-C4' energy: -56.754 flat angles C4'-P-C4' energy: -55.967 flat angles P-C4'-P energy: -29.141 tors. eta vs tors. theta energy: -12.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -317.601366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.601366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.601366 (E_RNA) where: Base-Base interactions energy: -140.395 where: short stacking energy: -96.152 Base-Backbone interact. energy: -0.524 local terms energy: -176.682643 where: bonds (distance) C4'-P energy: -43.640 bonds (distance) P-C4' energy: -55.571 flat angles C4'-P-C4' energy: -47.087 flat angles P-C4'-P energy: -34.999 tors. eta vs tors. theta energy: 4.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1071.846140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.846140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.846140 (E_RNA) where: Base-Base interactions energy: -725.245 where: short stacking energy: -326.616 Base-Backbone interact. energy: 0.185 local terms energy: -346.786509 where: bonds (distance) C4'-P energy: -61.682 bonds (distance) P-C4' energy: -70.443 flat angles C4'-P-C4' energy: -80.262 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -83.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1066.040441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.040441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.040441 (E_RNA) where: Base-Base interactions energy: -718.566 where: short stacking energy: -311.780 Base-Backbone interact. energy: -1.720 local terms energy: -345.754652 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -66.612 flat angles C4'-P-C4' energy: -70.570 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -94.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -898.775294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.775294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.775294 (E_RNA) where: Base-Base interactions energy: -578.204 where: short stacking energy: -268.913 Base-Backbone interact. energy: -3.476 local terms energy: -317.095422 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -67.089 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -69.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -952.443798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.443798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.443798 (E_RNA) where: Base-Base interactions energy: -636.578 where: short stacking energy: -272.368 Base-Backbone interact. energy: -1.505 local terms energy: -314.360629 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -73.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -862.575903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.575903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.575903 (E_RNA) where: Base-Base interactions energy: -582.153 where: short stacking energy: -260.878 Base-Backbone interact. energy: -0.960 local terms energy: -279.462084 where: bonds (distance) C4'-P energy: -52.047 bonds (distance) P-C4' energy: -59.303 flat angles C4'-P-C4' energy: -61.504 flat angles P-C4'-P energy: -43.552 tors. eta vs tors. theta energy: -63.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -745.895353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.895353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.895353 (E_RNA) where: Base-Base interactions energy: -461.575 where: short stacking energy: -221.285 Base-Backbone interact. energy: 0.622 local terms energy: -284.942307 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -67.035 flat angles P-C4'-P energy: -38.399 tors. eta vs tors. theta energy: -57.170 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -619.153415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.153415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.153415 (E_RNA) where: Base-Base interactions energy: -362.491 where: short stacking energy: -171.644 Base-Backbone interact. energy: -0.699 local terms energy: -255.963425 where: bonds (distance) C4'-P energy: -57.822 bonds (distance) P-C4' energy: -60.751 flat angles C4'-P-C4' energy: -57.294 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -35.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -447.802915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.802915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.802915 (E_RNA) where: Base-Base interactions energy: -245.855 where: short stacking energy: -141.310 Base-Backbone interact. energy: -1.162 local terms energy: -200.785951 where: bonds (distance) C4'-P energy: -45.897 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -61.530 flat angles P-C4'-P energy: -21.282 tors. eta vs tors. theta energy: -6.352 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: 9, replica: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -298.542234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.542234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.542234 (E_RNA) where: Base-Base interactions energy: -114.000 where: short stacking energy: -86.177 Base-Backbone interact. energy: -1.305 local terms energy: -183.236575 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -43.068 flat angles C4'-P-C4' energy: -48.842 flat angles P-C4'-P energy: -36.302 tors. eta vs tors. theta energy: 7.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -298.993838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.993838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.993838 (E_RNA) where: Base-Base interactions energy: -125.770 where: short stacking energy: -97.681 Base-Backbone interact. energy: 3.443 local terms energy: -176.666794 where: bonds (distance) C4'-P energy: -56.483 bonds (distance) P-C4' energy: -52.071 flat angles C4'-P-C4' energy: -47.165 flat angles P-C4'-P energy: -30.468 tors. eta vs tors. theta energy: 9.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1081.482246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.482246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.482246 (E_RNA) where: Base-Base interactions energy: -726.240 where: short stacking energy: -312.010 Base-Backbone interact. energy: -4.332 local terms energy: -350.910006 where: bonds (distance) C4'-P energy: -64.234 bonds (distance) P-C4' energy: -68.285 flat angles C4'-P-C4' energy: -76.139 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -89.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1048.961498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.961498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.961498 (E_RNA) where: Base-Base interactions energy: -704.768 where: short stacking energy: -301.779 Base-Backbone interact. energy: -1.811 local terms energy: -342.382828 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -70.467 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -53.621 tors. eta vs tors. theta energy: -91.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -909.914562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.914562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.914562 (E_RNA) where: Base-Base interactions energy: -600.839 where: short stacking energy: -283.767 Base-Backbone interact. energy: 1.842 local terms energy: -310.917679 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -79.224 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: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -965.830299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.830299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.830299 (E_RNA) where: Base-Base interactions energy: -628.569 where: short stacking energy: -275.196 Base-Backbone interact. energy: -2.328 local terms energy: -334.933823 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -78.193 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -83.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -906.563286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.563286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.563286 (E_RNA) where: Base-Base interactions energy: -600.480 where: short stacking energy: -269.702 Base-Backbone interact. energy: -0.269 local terms energy: -305.814524 where: bonds (distance) C4'-P energy: -64.857 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -57.641 flat angles P-C4'-P energy: -50.385 tors. eta vs tors. theta energy: -68.844 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: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -710.556335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.556335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.556335 (E_RNA) where: Base-Base interactions energy: -435.871 where: short stacking energy: -217.741 Base-Backbone interact. energy: -0.700 local terms energy: -273.985056 where: bonds (distance) C4'-P energy: -64.652 bonds (distance) P-C4' energy: -57.976 flat angles C4'-P-C4' energy: -62.327 flat angles P-C4'-P energy: -41.472 tors. eta vs tors. theta energy: -47.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -531.052751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.052751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.052751 (E_RNA) where: Base-Base interactions energy: -302.901 where: short stacking energy: -144.718 Base-Backbone interact. energy: 1.578 local terms energy: -229.729757 where: bonds (distance) C4'-P energy: -50.477 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -27.821 tors. eta vs tors. theta energy: -20.218 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: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -409.400767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.400767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.400767 (E_RNA) where: Base-Base interactions energy: -203.313 where: short stacking energy: -111.177 Base-Backbone interact. energy: 1.733 local terms energy: -207.820394 where: bonds (distance) C4'-P energy: -62.993 bonds (distance) P-C4' energy: -54.413 flat angles C4'-P-C4' energy: -63.014 flat angles P-C4'-P energy: -28.997 tors. eta vs tors. theta energy: 1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -332.714366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.714366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.714366 (E_RNA) where: Base-Base interactions energy: -127.375 where: short stacking energy: -95.011 Base-Backbone interact. energy: 0.114 local terms energy: -205.453333 where: bonds (distance) C4'-P energy: -58.737 bonds (distance) P-C4' energy: -55.288 flat angles C4'-P-C4' energy: -51.127 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -304.869851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.869851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.869851 (E_RNA) where: Base-Base interactions energy: -115.451 where: short stacking energy: -84.940 Base-Backbone interact. energy: -1.700 local terms energy: -187.718090 where: bonds (distance) C4'-P energy: -60.305 bonds (distance) P-C4' energy: -59.242 flat angles C4'-P-C4' energy: -46.613 flat angles P-C4'-P energy: -36.517 tors. eta vs tors. theta energy: 14.958 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: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1074.216094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.216094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.216094 (E_RNA) where: Base-Base interactions energy: -703.539 where: short stacking energy: -307.221 Base-Backbone interact. energy: -1.479 local terms energy: -369.197613 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -72.576 flat angles P-C4'-P energy: -60.056 tors. eta vs tors. theta energy: -95.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1038.993301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.993301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.993301 (E_RNA) where: Base-Base interactions energy: -702.033 where: short stacking energy: -314.444 Base-Backbone interact. energy: -0.210 local terms energy: -336.750297 where: bonds (distance) C4'-P energy: -67.447 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -69.717 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -84.582 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: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -912.467584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.467584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.467584 (E_RNA) where: Base-Base interactions energy: -576.364 where: short stacking energy: -273.290 Base-Backbone interact. energy: 0.004 local terms energy: -336.107258 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -72.984 flat angles C4'-P-C4' energy: -71.608 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -80.483 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: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -946.161386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.161386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.161386 (E_RNA) where: Base-Base interactions energy: -637.726 where: short stacking energy: -301.782 Base-Backbone interact. energy: -3.542 local terms energy: -304.892991 where: bonds (distance) C4'-P energy: -55.660 bonds (distance) P-C4' energy: -63.386 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -35.654 tors. eta vs tors. theta energy: -82.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -874.485457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.485457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.485457 (E_RNA) where: Base-Base interactions energy: -579.595 where: short stacking energy: -270.636 Base-Backbone interact. energy: -2.019 local terms energy: -292.871680 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -60.932 flat angles C4'-P-C4' energy: -64.637 flat angles P-C4'-P energy: -52.137 tors. eta vs tors. theta energy: -64.904 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: 72 Temperature: 1.150000 Total energy: -758.854473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.854473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.854473 (E_RNA) where: Base-Base interactions energy: -480.813 where: short stacking energy: -236.345 Base-Backbone interact. energy: -0.989 local terms energy: -277.051864 where: bonds (distance) C4'-P energy: -51.362 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -45.254 tors. eta vs tors. theta energy: -51.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -481.474831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.474831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.474831 (E_RNA) where: Base-Base interactions energy: -248.317 where: short stacking energy: -125.625 Base-Backbone interact. energy: -1.197 local terms energy: -231.960415 where: bonds (distance) C4'-P energy: -67.277 bonds (distance) P-C4' energy: -60.332 flat angles C4'-P-C4' energy: -63.203 flat angles P-C4'-P energy: -31.391 tors. eta vs tors. theta energy: -9.758 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: 72 Temperature: 1.250000 Total energy: -463.506704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.506704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.506704 (E_RNA) where: Base-Base interactions energy: -223.482 where: short stacking energy: -123.556 Base-Backbone interact. energy: 1.821 local terms energy: -241.846462 where: bonds (distance) C4'-P energy: -60.386 bonds (distance) P-C4' energy: -68.867 flat angles C4'-P-C4' energy: -60.829 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: -9.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -296.272602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.272602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.272602 (E_RNA) where: Base-Base interactions energy: -106.901 where: short stacking energy: -89.924 Base-Backbone interact. energy: 2.617 local terms energy: -191.988363 where: bonds (distance) C4'-P energy: -44.827 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -52.264 flat angles P-C4'-P energy: -29.705 tors. eta vs tors. theta energy: -8.377 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: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -283.101286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.101286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.101286 (E_RNA) where: Base-Base interactions energy: -91.834 where: short stacking energy: -77.394 Base-Backbone interact. energy: 6.058 local terms energy: -197.325823 where: bonds (distance) C4'-P energy: -51.109 bonds (distance) P-C4' energy: -59.186 flat angles C4'-P-C4' energy: -61.921 flat angles P-C4'-P energy: -33.777 tors. eta vs tors. theta energy: 8.668 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: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1087.267090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.267090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.267090 (E_RNA) where: Base-Base interactions energy: -716.952 where: short stacking energy: -321.313 Base-Backbone interact. energy: -2.317 local terms energy: -367.997570 where: bonds (distance) C4'-P energy: -66.734 bonds (distance) P-C4' energy: -70.857 flat angles C4'-P-C4' energy: -76.413 flat angles P-C4'-P energy: -55.253 tors. eta vs tors. theta energy: -98.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1029.896098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.896098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.896098 (E_RNA) where: Base-Base interactions energy: -691.400 where: short stacking energy: -300.720 Base-Backbone interact. energy: -1.553 local terms energy: -336.943013 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -64.076 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -53.144 tors. eta vs tors. theta energy: -79.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -956.527250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.527250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.527250 (E_RNA) where: Base-Base interactions energy: -625.675 where: short stacking energy: -279.110 Base-Backbone interact. energy: -0.385 local terms energy: -330.467025 where: bonds (distance) C4'-P energy: -66.155 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -77.363 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: -81.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -971.928605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.928605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.928605 (E_RNA) where: Base-Base interactions energy: -625.866 where: short stacking energy: -299.523 Base-Backbone interact. energy: 3.806 local terms energy: -349.868960 where: bonds (distance) C4'-P energy: -65.314 bonds (distance) P-C4' energy: -71.282 flat angles C4'-P-C4' energy: -80.788 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -87.311 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: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -884.677122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.677122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.677122 (E_RNA) where: Base-Base interactions energy: -585.778 where: short stacking energy: -252.859 Base-Backbone interact. energy: -0.768 local terms energy: -298.130617 where: bonds (distance) C4'-P energy: -62.212 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -58.526 flat angles P-C4'-P energy: -43.996 tors. eta vs tors. theta energy: -70.492 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: 73 Temperature: 1.150000 Total energy: -741.954037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.954037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.954037 (E_RNA) where: Base-Base interactions energy: -472.381 where: short stacking energy: -212.587 Base-Backbone interact. energy: 1.415 local terms energy: -270.988018 where: bonds (distance) C4'-P energy: -55.480 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -58.038 flat angles P-C4'-P energy: -33.472 tors. eta vs tors. theta energy: -55.230 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: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -460.597635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.597635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.597635 (E_RNA) where: Base-Base interactions energy: -209.864 where: short stacking energy: -131.088 Base-Backbone interact. energy: -1.562 local terms energy: -249.172426 where: bonds (distance) C4'-P energy: -71.213 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -51.533 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -21.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -448.035795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.035795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.035795 (E_RNA) where: Base-Base interactions energy: -247.193 where: short stacking energy: -141.249 Base-Backbone interact. energy: 5.097 local terms energy: -205.939626 where: bonds (distance) C4'-P energy: -53.704 bonds (distance) P-C4' energy: -54.327 flat angles C4'-P-C4' energy: -43.759 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -296.823017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.823017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.823017 (E_RNA) where: Base-Base interactions energy: -101.609 where: short stacking energy: -69.174 Base-Backbone interact. energy: -0.859 local terms energy: -194.354465 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -56.464 flat angles C4'-P-C4' energy: -52.055 flat angles P-C4'-P energy: -40.385 tors. eta vs tors. theta energy: 8.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -313.417592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.417592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.417592 (E_RNA) where: Base-Base interactions energy: -118.134 where: short stacking energy: -65.421 Base-Backbone interact. energy: -0.061 local terms energy: -195.222364 where: bonds (distance) C4'-P energy: -59.384 bonds (distance) P-C4' energy: -57.206 flat angles C4'-P-C4' energy: -60.715 flat angles P-C4'-P energy: -34.987 tors. eta vs tors. theta energy: 17.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1074.893480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.893480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.893480 (E_RNA) where: Base-Base interactions energy: -706.028 where: short stacking energy: -328.986 Base-Backbone interact. energy: -1.428 local terms energy: -367.437682 where: bonds (distance) C4'-P energy: -71.740 bonds (distance) P-C4' energy: -70.191 flat angles C4'-P-C4' energy: -82.818 flat angles P-C4'-P energy: -42.858 tors. eta vs tors. theta energy: -99.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1080.065978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.065978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.065978 (E_RNA) where: Base-Base interactions energy: -719.868 where: short stacking energy: -296.842 Base-Backbone interact. energy: -2.494 local terms energy: -357.703117 where: bonds (distance) C4'-P energy: -72.266 bonds (distance) P-C4' energy: -67.060 flat angles C4'-P-C4' energy: -79.455 flat angles P-C4'-P energy: -45.617 tors. eta vs tors. theta energy: -93.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -971.142471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.142471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.142471 (E_RNA) where: Base-Base interactions energy: -632.493 where: short stacking energy: -290.409 Base-Backbone interact. energy: -0.091 local terms energy: -338.558089 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -75.499 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -81.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -895.369970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.369970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.369970 (E_RNA) where: Base-Base interactions energy: -605.410 where: short stacking energy: -268.601 Base-Backbone interact. energy: -0.534 local terms energy: -289.426822 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -61.295 flat angles C4'-P-C4' energy: -58.551 flat angles P-C4'-P energy: -42.561 tors. eta vs tors. theta energy: -64.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -881.754519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.754519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.754519 (E_RNA) where: Base-Base interactions energy: -569.881 where: short stacking energy: -263.719 Base-Backbone interact. energy: 0.188 local terms energy: -312.061062 where: bonds (distance) C4'-P energy: -52.728 bonds (distance) P-C4' energy: -72.465 flat angles C4'-P-C4' energy: -67.210 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -71.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -734.279124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.279124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.279124 (E_RNA) where: Base-Base interactions energy: -448.888 where: short stacking energy: -217.900 Base-Backbone interact. energy: -0.870 local terms energy: -284.521216 where: bonds (distance) C4'-P energy: -56.427 bonds (distance) P-C4' energy: -64.769 flat angles C4'-P-C4' energy: -78.017 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -44.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -509.855965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.855965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.855965 (E_RNA) where: Base-Base interactions energy: -252.356 where: short stacking energy: -153.692 Base-Backbone interact. energy: -2.243 local terms energy: -255.256719 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -67.842 flat angles C4'-P-C4' energy: -55.421 flat angles P-C4'-P energy: -41.603 tors. eta vs tors. theta energy: -29.977 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: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -440.445919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.445919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.445919 (E_RNA) where: Base-Base interactions energy: -232.754 where: short stacking energy: -148.735 Base-Backbone interact. energy: -1.412 local terms energy: -206.279916 where: bonds (distance) C4'-P energy: -49.378 bonds (distance) P-C4' energy: -65.781 flat angles C4'-P-C4' energy: -37.109 flat angles P-C4'-P energy: -30.657 tors. eta vs tors. theta energy: -23.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -322.867859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.867859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.867859 (E_RNA) where: Base-Base interactions energy: -142.342 where: short stacking energy: -117.073 Base-Backbone interact. energy: 3.697 local terms energy: -184.221911 where: bonds (distance) C4'-P energy: -59.276 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -43.821 flat angles P-C4'-P energy: -16.687 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -275.945729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.945729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.945729 (E_RNA) where: Base-Base interactions energy: -102.760 where: short stacking energy: -74.859 Base-Backbone interact. energy: 0.115 local terms energy: -173.300905 where: bonds (distance) C4'-P energy: -50.769 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -60.513 flat angles P-C4'-P energy: -17.493 tors. eta vs tors. theta energy: 18.804 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: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1085.413969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.413969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.413969 (E_RNA) where: Base-Base interactions energy: -723.203 where: short stacking energy: -323.056 Base-Backbone interact. energy: -1.961 local terms energy: -360.250474 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -75.176 flat angles C4'-P-C4' energy: -78.722 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -90.125 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: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1098.114310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.114310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.114310 (E_RNA) where: Base-Base interactions energy: -749.518 where: short stacking energy: -341.754 Base-Backbone interact. energy: -1.125 local terms energy: -347.471475 where: bonds (distance) C4'-P energy: -56.419 bonds (distance) P-C4' energy: -73.336 flat angles C4'-P-C4' energy: -77.543 flat angles P-C4'-P energy: -38.479 tors. eta vs tors. theta energy: -101.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -930.582333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.582333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.582333 (E_RNA) where: Base-Base interactions energy: -599.787 where: short stacking energy: -279.045 Base-Backbone interact. energy: -3.161 local terms energy: -327.634344 where: bonds (distance) C4'-P energy: -67.260 bonds (distance) P-C4' energy: -56.027 flat angles C4'-P-C4' energy: -73.499 flat angles P-C4'-P energy: -55.577 tors. eta vs tors. theta energy: -75.271 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: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -913.452918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.452918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.452918 (E_RNA) where: Base-Base interactions energy: -590.455 where: short stacking energy: -278.604 Base-Backbone interact. energy: -1.651 local terms energy: -321.347191 where: bonds (distance) C4'-P energy: -64.817 bonds (distance) P-C4' energy: -70.617 flat angles C4'-P-C4' energy: -73.061 flat angles P-C4'-P energy: -45.513 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: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -876.622289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.622289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.622289 (E_RNA) where: Base-Base interactions energy: -563.932 where: short stacking energy: -244.271 Base-Backbone interact. energy: 2.153 local terms energy: -314.843332 where: bonds (distance) C4'-P energy: -69.245 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -69.762 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -71.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -740.597877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.597877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.597877 (E_RNA) where: Base-Base interactions energy: -461.896 where: short stacking energy: -221.050 Base-Backbone interact. energy: -0.537 local terms energy: -278.164664 where: bonds (distance) C4'-P energy: -58.164 bonds (distance) P-C4' energy: -64.329 flat angles C4'-P-C4' energy: -64.217 flat angles P-C4'-P energy: -46.534 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: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -541.826314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.826314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.826314 (E_RNA) where: Base-Base interactions energy: -321.467 where: short stacking energy: -162.395 Base-Backbone interact. energy: -0.016 local terms energy: -220.343398 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -69.682 flat angles C4'-P-C4' energy: -36.010 flat angles P-C4'-P energy: -36.411 tors. eta vs tors. theta energy: -15.214 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: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -444.170101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.170101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.170101 (E_RNA) where: Base-Base interactions energy: -234.410 where: short stacking energy: -136.658 Base-Backbone interact. energy: -1.000 local terms energy: -208.760002 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -57.633 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -29.505 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -289.616076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.616076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.616076 (E_RNA) where: Base-Base interactions energy: -90.541 where: short stacking energy: -72.453 Base-Backbone interact. energy: -0.328 local terms energy: -198.747397 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -49.959 flat angles P-C4'-P energy: -32.223 tors. eta vs tors. theta energy: 8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -274.034033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.034033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.034033 (E_RNA) where: Base-Base interactions energy: -92.097 where: short stacking energy: -82.952 Base-Backbone interact. energy: 2.665 local terms energy: -184.602046 where: bonds (distance) C4'-P energy: -48.574 bonds (distance) P-C4' energy: -71.291 flat angles C4'-P-C4' energy: -42.039 flat angles P-C4'-P energy: -30.469 tors. eta vs tors. theta energy: 7.770 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: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1081.603886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.603886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.603886 (E_RNA) where: Base-Base interactions energy: -708.055 where: short stacking energy: -320.304 Base-Backbone interact. energy: -4.441 local terms energy: -369.108594 where: bonds (distance) C4'-P energy: -75.249 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -78.577 flat angles P-C4'-P energy: -56.387 tors. eta vs tors. theta energy: -90.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1071.514499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.514499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.514499 (E_RNA) where: Base-Base interactions energy: -726.785 where: short stacking energy: -310.910 Base-Backbone interact. energy: -1.622 local terms energy: -343.107834 where: bonds (distance) C4'-P energy: -63.486 bonds (distance) P-C4' energy: -61.063 flat angles C4'-P-C4' energy: -80.290 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -95.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -903.285554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.285554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.285554 (E_RNA) where: Base-Base interactions energy: -564.244 where: short stacking energy: -266.594 Base-Backbone interact. energy: -1.081 local terms energy: -337.961074 where: bonds (distance) C4'-P energy: -61.172 bonds (distance) P-C4' energy: -69.441 flat angles C4'-P-C4' energy: -79.907 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: -79.755 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: 76 Temperature: 1.050000 Total energy: -869.854356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.854356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.854356 (E_RNA) where: Base-Base interactions energy: -572.621 where: short stacking energy: -279.692 Base-Backbone interact. energy: 2.166 local terms energy: -299.399905 where: bonds (distance) C4'-P energy: -61.769 bonds (distance) P-C4' energy: -71.369 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -34.132 tors. eta vs tors. theta energy: -71.031 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: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -849.183696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.183696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.183696 (E_RNA) where: Base-Base interactions energy: -537.247 where: short stacking energy: -231.053 Base-Backbone interact. energy: -2.305 local terms energy: -309.631995 where: bonds (distance) C4'-P energy: -64.895 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -65.932 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -72.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -716.686913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.686913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.686913 (E_RNA) where: Base-Base interactions energy: -436.841 where: short stacking energy: -224.388 Base-Backbone interact. energy: -1.537 local terms energy: -278.309139 where: bonds (distance) C4'-P energy: -57.659 bonds (distance) P-C4' energy: -52.712 flat angles C4'-P-C4' energy: -66.839 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -51.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -567.675061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.675061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.675061 (E_RNA) where: Base-Base interactions energy: -323.760 where: short stacking energy: -179.611 Base-Backbone interact. energy: -0.844 local terms energy: -243.071611 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -67.122 flat angles C4'-P-C4' energy: -58.373 flat angles P-C4'-P energy: -30.008 tors. eta vs tors. theta energy: -35.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -426.125890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.125890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.125890 (E_RNA) where: Base-Base interactions energy: -209.673 where: short stacking energy: -112.813 Base-Backbone interact. energy: -1.175 local terms energy: -215.278575 where: bonds (distance) C4'-P energy: -61.064 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -47.981 flat angles P-C4'-P energy: -31.546 tors. eta vs tors. theta energy: -10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -307.756673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.756673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.756673 (E_RNA) where: Base-Base interactions energy: -96.607 where: short stacking energy: -88.529 Base-Backbone interact. energy: -0.841 local terms energy: -210.309395 where: bonds (distance) C4'-P energy: -59.443 bonds (distance) P-C4' energy: -56.098 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -30.554 tors. eta vs tors. theta energy: -2.625 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: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -293.537725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.537725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.537725 (E_RNA) where: Base-Base interactions energy: -117.579 where: short stacking energy: -109.435 Base-Backbone interact. energy: -1.187 local terms energy: -174.771732 where: bonds (distance) C4'-P energy: -47.779 bonds (distance) P-C4' energy: -49.739 flat angles C4'-P-C4' energy: -52.404 flat angles P-C4'-P energy: -19.079 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1079.283983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.283983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.283983 (E_RNA) where: Base-Base interactions energy: -737.409 where: short stacking energy: -309.260 Base-Backbone interact. energy: -2.419 local terms energy: -339.456819 where: bonds (distance) C4'-P energy: -70.230 bonds (distance) P-C4' energy: -61.081 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -50.434 tors. eta vs tors. theta energy: -83.889 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: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1069.094760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.094760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.094760 (E_RNA) where: Base-Base interactions energy: -702.291 where: short stacking energy: -317.101 Base-Backbone interact. energy: -1.837 local terms energy: -364.966904 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -72.652 flat angles C4'-P-C4' energy: -77.919 flat angles P-C4'-P energy: -52.625 tors. eta vs tors. theta energy: -92.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -953.071567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.071567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.071567 (E_RNA) where: Base-Base interactions energy: -615.639 where: short stacking energy: -305.151 Base-Backbone interact. energy: -0.760 local terms energy: -336.672485 where: bonds (distance) C4'-P energy: -67.260 bonds (distance) P-C4' energy: -62.045 flat angles C4'-P-C4' energy: -72.329 flat angles P-C4'-P energy: -45.893 tors. eta vs tors. theta energy: -89.146 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: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -903.793609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.793609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.793609 (E_RNA) where: Base-Base interactions energy: -593.472 where: short stacking energy: -261.703 Base-Backbone interact. energy: -0.760 local terms energy: -309.562476 where: bonds (distance) C4'-P energy: -64.620 bonds (distance) P-C4' energy: -58.854 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -35.040 tors. eta vs tors. theta energy: -71.888 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: 77 Temperature: 1.100000 Total energy: -862.581654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.581654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.581654 (E_RNA) where: Base-Base interactions energy: -557.700 where: short stacking energy: -273.111 Base-Backbone interact. energy: 0.623 local terms energy: -305.504331 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -75.161 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -70.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -727.045223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.045223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.045223 (E_RNA) where: Base-Base interactions energy: -446.429 where: short stacking energy: -224.773 Base-Backbone interact. energy: -0.231 local terms energy: -280.385181 where: bonds (distance) C4'-P energy: -43.429 bonds (distance) P-C4' energy: -70.068 flat angles C4'-P-C4' energy: -67.156 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -55.823 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: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -593.434560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.434560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.434560 (E_RNA) where: Base-Base interactions energy: -327.319 where: short stacking energy: -167.025 Base-Backbone interact. energy: -0.688 local terms energy: -265.427710 where: bonds (distance) C4'-P energy: -54.963 bonds (distance) P-C4' energy: -63.722 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -45.806 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: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -392.678951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.678951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.678951 (E_RNA) where: Base-Base interactions energy: -190.793 where: short stacking energy: -112.202 Base-Backbone interact. energy: 0.382 local terms energy: -202.267975 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -51.619 flat angles C4'-P-C4' energy: -41.860 flat angles P-C4'-P energy: -36.047 tors. eta vs tors. theta energy: -12.090 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: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -316.935579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.935579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.935579 (E_RNA) where: Base-Base interactions energy: -114.410 where: short stacking energy: -86.898 Base-Backbone interact. energy: 1.264 local terms energy: -203.790081 where: bonds (distance) C4'-P energy: -70.295 bonds (distance) P-C4' energy: -45.759 flat angles C4'-P-C4' energy: -44.878 flat angles P-C4'-P energy: -30.396 tors. eta vs tors. theta energy: -12.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -309.149126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.149126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.149126 (E_RNA) where: Base-Base interactions energy: -128.639 where: short stacking energy: -82.756 Base-Backbone interact. energy: 0.966 local terms energy: -181.476334 where: bonds (distance) C4'-P energy: -63.340 bonds (distance) P-C4' energy: -57.338 flat angles C4'-P-C4' energy: -43.689 flat angles P-C4'-P energy: -25.632 tors. eta vs tors. theta energy: 8.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1116.868173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.868173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.868173 (E_RNA) where: Base-Base interactions energy: -737.597 where: short stacking energy: -336.375 Base-Backbone interact. energy: -1.732 local terms energy: -377.538892 where: bonds (distance) C4'-P energy: -67.016 bonds (distance) P-C4' energy: -66.927 flat angles C4'-P-C4' energy: -88.680 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: -101.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1055.331496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.331496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.331496 (E_RNA) where: Base-Base interactions energy: -698.276 where: short stacking energy: -287.321 Base-Backbone interact. energy: -0.127 local terms energy: -356.929212 where: bonds (distance) C4'-P energy: -71.369 bonds (distance) P-C4' energy: -69.181 flat angles C4'-P-C4' energy: -76.003 flat angles P-C4'-P energy: -52.677 tors. eta vs tors. theta energy: -87.699 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: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -949.411636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.411636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.411636 (E_RNA) where: Base-Base interactions energy: -620.683 where: short stacking energy: -289.183 Base-Backbone interact. energy: -0.762 local terms energy: -327.965828 where: bonds (distance) C4'-P energy: -60.627 bonds (distance) P-C4' energy: -67.087 flat angles C4'-P-C4' energy: -74.675 flat angles P-C4'-P energy: -39.817 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: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -897.008404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.008404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.008404 (E_RNA) where: Base-Base interactions energy: -611.201 where: short stacking energy: -275.098 Base-Backbone interact. energy: -0.129 local terms energy: -285.678041 where: bonds (distance) C4'-P energy: -53.218 bonds (distance) P-C4' energy: -48.600 flat angles C4'-P-C4' energy: -66.768 flat angles P-C4'-P energy: -50.827 tors. eta vs tors. theta energy: -66.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -849.810419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.810419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.810419 (E_RNA) where: Base-Base interactions energy: -549.800 where: short stacking energy: -246.854 Base-Backbone interact. energy: -0.003 local terms energy: -300.007714 where: bonds (distance) C4'-P energy: -78.320 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -60.356 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: -55.771 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: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -690.088461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.088461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.088461 (E_RNA) where: Base-Base interactions energy: -410.320 where: short stacking energy: -186.890 Base-Backbone interact. energy: -0.947 local terms energy: -278.821919 where: bonds (distance) C4'-P energy: -72.344 bonds (distance) P-C4' energy: -65.178 flat angles C4'-P-C4' energy: -60.183 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -34.289 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: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -572.951110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.951110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.951110 (E_RNA) where: Base-Base interactions energy: -303.153 where: short stacking energy: -162.925 Base-Backbone interact. energy: -0.652 local terms energy: -269.146556 where: bonds (distance) C4'-P energy: -73.315 bonds (distance) P-C4' energy: -65.871 flat angles C4'-P-C4' energy: -52.371 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -37.617 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: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -403.232499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.232499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.232499 (E_RNA) where: Base-Base interactions energy: -191.727 where: short stacking energy: -134.845 Base-Backbone interact. energy: -1.280 local terms energy: -210.225432 where: bonds (distance) C4'-P energy: -55.439 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -52.648 flat angles P-C4'-P energy: -24.263 tors. eta vs tors. theta energy: -16.266 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: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -315.825929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.825929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.825929 (E_RNA) where: Base-Base interactions energy: -111.319 where: short stacking energy: -76.038 Base-Backbone interact. energy: 3.046 local terms energy: -207.552514 where: bonds (distance) C4'-P energy: -73.942 bonds (distance) P-C4' energy: -48.994 flat angles C4'-P-C4' energy: -65.313 flat angles P-C4'-P energy: -26.101 tors. eta vs tors. theta energy: 6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -282.483548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.483548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.483548 (E_RNA) where: Base-Base interactions energy: -94.393 where: short stacking energy: -76.855 Base-Backbone interact. energy: 4.369 local terms energy: -192.459107 where: bonds (distance) C4'-P energy: -50.419 bonds (distance) P-C4' energy: -69.574 flat angles C4'-P-C4' energy: -47.229 flat angles P-C4'-P energy: -34.497 tors. eta vs tors. theta energy: 9.259 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: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1093.558143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.558143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.558143 (E_RNA) where: Base-Base interactions energy: -729.957 where: short stacking energy: -324.716 Base-Backbone interact. energy: -2.920 local terms energy: -360.681193 where: bonds (distance) C4'-P energy: -70.980 bonds (distance) P-C4' energy: -69.852 flat angles C4'-P-C4' energy: -76.850 flat angles P-C4'-P energy: -43.588 tors. eta vs tors. theta energy: -99.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1027.117902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.117902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.117902 (E_RNA) where: Base-Base interactions energy: -707.642 where: short stacking energy: -296.010 Base-Backbone interact. energy: -0.064 local terms energy: -319.412039 where: bonds (distance) C4'-P energy: -72.436 bonds (distance) P-C4' energy: -54.487 flat angles C4'-P-C4' energy: -71.499 flat angles P-C4'-P energy: -38.969 tors. eta vs tors. theta energy: -82.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -965.597200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.597200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.597200 (E_RNA) where: Base-Base interactions energy: -629.482 where: short stacking energy: -290.401 Base-Backbone interact. energy: -2.815 local terms energy: -333.301030 where: bonds (distance) C4'-P energy: -65.242 bonds (distance) P-C4' energy: -66.052 flat angles C4'-P-C4' energy: -76.149 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -76.021 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: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -882.705888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.705888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.705888 (E_RNA) where: Base-Base interactions energy: -552.804 where: short stacking energy: -256.921 Base-Backbone interact. energy: -1.043 local terms energy: -328.858403 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -65.234 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: -76.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -872.829221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.829221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.829221 (E_RNA) where: Base-Base interactions energy: -569.344 where: short stacking energy: -241.369 Base-Backbone interact. energy: 4.306 local terms energy: -307.791290 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -58.175 flat angles C4'-P-C4' energy: -71.030 flat angles P-C4'-P energy: -48.222 tors. eta vs tors. theta energy: -68.003 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: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -631.146248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.146248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.146248 (E_RNA) where: Base-Base interactions energy: -371.139 where: short stacking energy: -186.687 Base-Backbone interact. energy: -0.058 local terms energy: -259.949586 where: bonds (distance) C4'-P energy: -65.111 bonds (distance) P-C4' energy: -58.764 flat angles C4'-P-C4' energy: -66.820 flat angles P-C4'-P energy: -31.491 tors. eta vs tors. theta energy: -37.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -564.433556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.433556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.433556 (E_RNA) where: Base-Base interactions energy: -336.989 where: short stacking energy: -158.669 Base-Backbone interact. energy: -0.424 local terms energy: -227.020525 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -58.220 flat angles P-C4'-P energy: -30.869 tors. eta vs tors. theta energy: -21.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -435.090932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.090932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.090932 (E_RNA) where: Base-Base interactions energy: -206.138 where: short stacking energy: -120.806 Base-Backbone interact. energy: -1.483 local terms energy: -227.469776 where: bonds (distance) C4'-P energy: -60.947 bonds (distance) P-C4' energy: -52.728 flat angles C4'-P-C4' energy: -62.989 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: -13.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -323.930436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.930436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.930436 (E_RNA) where: Base-Base interactions energy: -115.344 where: short stacking energy: -103.346 Base-Backbone interact. energy: -0.615 local terms energy: -207.970926 where: bonds (distance) C4'-P energy: -61.138 bonds (distance) P-C4' energy: -57.325 flat angles C4'-P-C4' energy: -56.932 flat angles P-C4'-P energy: -36.968 tors. eta vs tors. theta energy: 4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -304.133726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.133726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.133726 (E_RNA) where: Base-Base interactions energy: -110.011 where: short stacking energy: -80.776 Base-Backbone interact. energy: 2.321 local terms energy: -196.444110 where: bonds (distance) C4'-P energy: -68.018 bonds (distance) P-C4' energy: -68.830 flat angles C4'-P-C4' energy: -44.109 flat angles P-C4'-P energy: -31.880 tors. eta vs tors. theta energy: 16.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1127.868613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.868613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.868613 (E_RNA) where: Base-Base interactions energy: -769.554 where: short stacking energy: -344.236 Base-Backbone interact. energy: -1.020 local terms energy: -357.294392 where: bonds (distance) C4'-P energy: -66.737 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -73.862 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -101.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1046.838191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.838191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.838191 (E_RNA) where: Base-Base interactions energy: -705.218 where: short stacking energy: -297.191 Base-Backbone interact. energy: -1.636 local terms energy: -339.984047 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -73.088 flat angles C4'-P-C4' energy: -62.052 flat angles P-C4'-P energy: -46.167 tors. eta vs tors. theta energy: -90.398 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: 3, replica: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -944.475284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.475284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.475284 (E_RNA) where: Base-Base interactions energy: -602.363 where: short stacking energy: -272.720 Base-Backbone interact. energy: -1.879 local terms energy: -340.233263 where: bonds (distance) C4'-P energy: -65.521 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -73.037 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: -85.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -888.020953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.020953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.020953 (E_RNA) where: Base-Base interactions energy: -568.811 where: short stacking energy: -267.674 Base-Backbone interact. energy: 2.064 local terms energy: -321.274030 where: bonds (distance) C4'-P energy: -68.356 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -66.633 flat angles P-C4'-P energy: -38.248 tors. eta vs tors. theta energy: -76.168 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -867.491178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.491178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.491178 (E_RNA) where: Base-Base interactions energy: -563.089 where: short stacking energy: -254.593 Base-Backbone interact. energy: 0.559 local terms energy: -304.960957 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -64.608 flat angles C4'-P-C4' energy: -72.219 flat angles P-C4'-P energy: -49.441 tors. eta vs tors. theta energy: -67.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -616.094296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.094296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.094296 (E_RNA) where: Base-Base interactions energy: -383.190 where: short stacking energy: -204.993 Base-Backbone interact. energy: -0.673 local terms energy: -232.231592 where: bonds (distance) C4'-P energy: -46.513 bonds (distance) P-C4' energy: -47.078 flat angles C4'-P-C4' energy: -65.920 flat angles P-C4'-P energy: -30.397 tors. eta vs tors. theta energy: -42.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -564.428084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.428084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.428084 (E_RNA) where: Base-Base interactions energy: -337.675 where: short stacking energy: -151.738 Base-Backbone interact. energy: -2.007 local terms energy: -224.745317 where: bonds (distance) C4'-P energy: -50.843 bonds (distance) P-C4' energy: -56.821 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -31.680 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: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -469.613998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.613998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.613998 (E_RNA) where: Base-Base interactions energy: -249.649 where: short stacking energy: -128.218 Base-Backbone interact. energy: -1.638 local terms energy: -218.326684 where: bonds (distance) C4'-P energy: -49.482 bonds (distance) P-C4' energy: -63.938 flat angles C4'-P-C4' energy: -62.871 flat angles P-C4'-P energy: -27.057 tors. eta vs tors. theta energy: -14.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -301.439116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.439116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.439116 (E_RNA) where: Base-Base interactions energy: -82.010 where: short stacking energy: -73.523 Base-Backbone interact. energy: -0.579 local terms energy: -218.850305 where: bonds (distance) C4'-P energy: -53.271 bonds (distance) P-C4' energy: -64.714 flat angles C4'-P-C4' energy: -55.512 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -1.659 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: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -345.484651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.484651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.484651 (E_RNA) where: Base-Base interactions energy: -179.826 where: short stacking energy: -97.189 Base-Backbone interact. energy: -2.135 local terms energy: -163.523876 where: bonds (distance) C4'-P energy: -58.609 bonds (distance) P-C4' energy: -43.967 flat angles C4'-P-C4' energy: -49.121 flat angles P-C4'-P energy: -19.648 tors. eta vs tors. theta energy: 7.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1118.699099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.699099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.699099 (E_RNA) where: Base-Base interactions energy: -743.093 where: short stacking energy: -341.565 Base-Backbone interact. energy: -2.798 local terms energy: -372.807865 where: bonds (distance) C4'-P energy: -59.435 bonds (distance) P-C4' energy: -71.082 flat angles C4'-P-C4' energy: -83.728 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -102.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1047.212532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.212532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.212532 (E_RNA) where: Base-Base interactions energy: -698.427 where: short stacking energy: -317.207 Base-Backbone interact. energy: -2.507 local terms energy: -346.277678 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -75.191 flat angles P-C4'-P energy: -50.253 tors. eta vs tors. theta energy: -92.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -947.209399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.209399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.209399 (E_RNA) where: Base-Base interactions energy: -609.779 where: short stacking energy: -278.396 Base-Backbone interact. energy: -2.077 local terms energy: -335.353423 where: bonds (distance) C4'-P energy: -63.781 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -69.332 flat angles P-C4'-P energy: -49.815 tors. eta vs tors. theta energy: -84.062 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: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -898.500284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.500284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.500284 (E_RNA) where: Base-Base interactions energy: -581.809 where: short stacking energy: -300.551 Base-Backbone interact. energy: -0.471 local terms energy: -316.219871 where: bonds (distance) C4'-P energy: -58.948 bonds (distance) P-C4' energy: -61.538 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -81.945 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: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -831.329265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.329265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.329265 (E_RNA) where: Base-Base interactions energy: -529.705 where: short stacking energy: -245.337 Base-Backbone interact. energy: -1.188 local terms energy: -300.436006 where: bonds (distance) C4'-P energy: -69.812 bonds (distance) P-C4' energy: -72.018 flat angles C4'-P-C4' energy: -58.268 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -58.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -595.079188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.079188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.079188 (E_RNA) where: Base-Base interactions energy: -341.477 where: short stacking energy: -175.391 Base-Backbone interact. energy: 2.123 local terms energy: -255.724876 where: bonds (distance) C4'-P energy: -47.781 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -67.533 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -37.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -585.651324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.651324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.651324 (E_RNA) where: Base-Base interactions energy: -354.973 where: short stacking energy: -154.004 Base-Backbone interact. energy: -2.749 local terms energy: -227.928632 where: bonds (distance) C4'-P energy: -53.206 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -50.818 flat angles P-C4'-P energy: -37.553 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: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -468.398772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.398772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.398772 (E_RNA) where: Base-Base interactions energy: -254.825 where: short stacking energy: -130.582 Base-Backbone interact. energy: -1.314 local terms energy: -212.259545 where: bonds (distance) C4'-P energy: -53.959 bonds (distance) P-C4' energy: -60.355 flat angles C4'-P-C4' energy: -60.028 flat angles P-C4'-P energy: -29.760 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -310.395463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.395463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.395463 (E_RNA) where: Base-Base interactions energy: -104.563 where: short stacking energy: -82.868 Base-Backbone interact. energy: -2.220 local terms energy: -203.612692 where: bonds (distance) C4'-P energy: -47.682 bonds (distance) P-C4' energy: -73.070 flat angles C4'-P-C4' energy: -43.753 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: 2.452 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: 10, replica: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -368.808779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.808779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.808779 (E_RNA) where: Base-Base interactions energy: -184.414 where: short stacking energy: -95.239 Base-Backbone interact. energy: 0.123 local terms energy: -184.517620 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -51.194 flat angles P-C4'-P energy: -25.375 tors. eta vs tors. theta energy: 15.667 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1092.068549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.068549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.068549 (E_RNA) where: Base-Base interactions energy: -713.896 where: short stacking energy: -325.998 Base-Backbone interact. energy: -2.396 local terms energy: -375.776050 where: bonds (distance) C4'-P energy: -70.177 bonds (distance) P-C4' energy: -71.340 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: -102.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1040.756866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.756866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.756866 (E_RNA) where: Base-Base interactions energy: -706.882 where: short stacking energy: -312.678 Base-Backbone interact. energy: -0.802 local terms energy: -333.073177 where: bonds (distance) C4'-P energy: -61.681 bonds (distance) P-C4' energy: -62.865 flat angles C4'-P-C4' energy: -71.913 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -83.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -953.915635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.915635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.915635 (E_RNA) where: Base-Base interactions energy: -627.490 where: short stacking energy: -288.199 Base-Backbone interact. energy: -1.479 local terms energy: -324.947127 where: bonds (distance) C4'-P energy: -48.730 bonds (distance) P-C4' energy: -70.560 flat angles C4'-P-C4' energy: -76.471 flat angles P-C4'-P energy: -48.562 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: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -944.391029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.391029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.391029 (E_RNA) where: Base-Base interactions energy: -606.911 where: short stacking energy: -305.544 Base-Backbone interact. energy: -0.647 local terms energy: -336.833255 where: bonds (distance) C4'-P energy: -60.233 bonds (distance) P-C4' energy: -69.893 flat angles C4'-P-C4' energy: -67.382 flat angles P-C4'-P energy: -48.384 tors. eta vs tors. theta energy: -90.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -849.420870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.420870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.420870 (E_RNA) where: Base-Base interactions energy: -545.495 where: short stacking energy: -243.785 Base-Backbone interact. energy: -1.876 local terms energy: -302.050488 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -57.090 flat angles C4'-P-C4' energy: -60.842 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -72.656 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: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -623.278862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.278862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.278862 (E_RNA) where: Base-Base interactions energy: -357.188 where: short stacking energy: -184.535 Base-Backbone interact. energy: -0.905 local terms energy: -265.185822 where: bonds (distance) C4'-P energy: -53.958 bonds (distance) P-C4' energy: -66.519 flat angles C4'-P-C4' energy: -69.519 flat angles P-C4'-P energy: -36.670 tors. eta vs tors. theta energy: -38.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -639.504273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.504273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.504273 (E_RNA) where: Base-Base interactions energy: -374.512 where: short stacking energy: -187.382 Base-Backbone interact. energy: 0.107 local terms energy: -265.099481 where: bonds (distance) C4'-P energy: -52.587 bonds (distance) P-C4' energy: -74.714 flat angles C4'-P-C4' energy: -59.130 flat angles P-C4'-P energy: -35.864 tors. eta vs tors. theta energy: -42.804 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: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -456.442715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.442715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.442715 (E_RNA) where: Base-Base interactions energy: -226.342 where: short stacking energy: -134.574 Base-Backbone interact. energy: -0.804 local terms energy: -229.297193 where: bonds (distance) C4'-P energy: -56.047 bonds (distance) P-C4' energy: -59.919 flat angles C4'-P-C4' energy: -57.154 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -375.987536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.987536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.987536 (E_RNA) where: Base-Base interactions energy: -160.879 where: short stacking energy: -87.955 Base-Backbone interact. energy: 1.333 local terms energy: -216.441076 where: bonds (distance) C4'-P energy: -62.432 bonds (distance) P-C4' energy: -67.777 flat angles C4'-P-C4' energy: -56.625 flat angles P-C4'-P energy: -25.299 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -290.061550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.061550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.061550 (E_RNA) where: Base-Base interactions energy: -116.971 where: short stacking energy: -83.833 Base-Backbone interact. energy: 1.140 local terms energy: -174.230543 where: bonds (distance) C4'-P energy: -53.755 bonds (distance) P-C4' energy: -62.964 flat angles C4'-P-C4' energy: -43.977 flat angles P-C4'-P energy: -26.370 tors. eta vs tors. theta energy: 12.836 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: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1122.668270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.668270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.668270 (E_RNA) where: Base-Base interactions energy: -755.675 where: short stacking energy: -341.113 Base-Backbone interact. energy: -1.911 local terms energy: -365.082067 where: bonds (distance) C4'-P energy: -73.974 bonds (distance) P-C4' energy: -64.368 flat angles C4'-P-C4' energy: -74.225 flat angles P-C4'-P energy: -50.401 tors. eta vs tors. theta energy: -102.113 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: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1038.624087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.624087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.624087 (E_RNA) where: Base-Base interactions energy: -701.614 where: short stacking energy: -316.598 Base-Backbone interact. energy: -0.264 local terms energy: -336.745676 where: bonds (distance) C4'-P energy: -59.657 bonds (distance) P-C4' energy: -70.086 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: -78.976 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: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -933.805449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.805449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.805449 (E_RNA) where: Base-Base interactions energy: -602.577 where: short stacking energy: -280.851 Base-Backbone interact. energy: -1.520 local terms energy: -329.708599 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -65.458 flat angles C4'-P-C4' energy: -76.512 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -84.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -919.221850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.221850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.221850 (E_RNA) where: Base-Base interactions energy: -606.559 where: short stacking energy: -268.545 Base-Backbone interact. energy: 0.466 local terms energy: -313.128910 where: bonds (distance) C4'-P energy: -72.979 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -75.863 flat angles P-C4'-P energy: -31.837 tors. eta vs tors. theta energy: -70.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -848.394909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.394909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.394909 (E_RNA) where: Base-Base interactions energy: -552.706 where: short stacking energy: -264.749 Base-Backbone interact. energy: -0.220 local terms energy: -295.468599 where: bonds (distance) C4'-P energy: -54.943 bonds (distance) P-C4' energy: -66.210 flat angles C4'-P-C4' energy: -68.110 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -66.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -665.376858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.376858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.376858 (E_RNA) where: Base-Base interactions energy: -405.348 where: short stacking energy: -173.923 Base-Backbone interact. energy: -2.103 local terms energy: -257.925647 where: bonds (distance) C4'-P energy: -67.603 bonds (distance) P-C4' energy: -56.828 flat angles C4'-P-C4' energy: -56.999 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -41.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -622.543659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.543659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.543659 (E_RNA) where: Base-Base interactions energy: -371.061 where: short stacking energy: -191.970 Base-Backbone interact. energy: -0.131 local terms energy: -251.352036 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -59.334 flat angles C4'-P-C4' energy: -61.014 flat angles P-C4'-P energy: -30.754 tors. eta vs tors. theta energy: -40.219 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: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -398.749319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.749319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.749319 (E_RNA) where: Base-Base interactions energy: -192.930 where: short stacking energy: -125.920 Base-Backbone interact. energy: 3.645 local terms energy: -209.464549 where: bonds (distance) C4'-P energy: -59.586 bonds (distance) P-C4' energy: -58.096 flat angles C4'-P-C4' energy: -41.745 flat angles P-C4'-P energy: -34.398 tors. eta vs tors. theta energy: -15.639 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: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -401.690394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.690394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.690394 (E_RNA) where: Base-Base interactions energy: -193.502 where: short stacking energy: -118.589 Base-Backbone interact. energy: -0.770 local terms energy: -207.417856 where: bonds (distance) C4'-P energy: -50.655 bonds (distance) P-C4' energy: -53.372 flat angles C4'-P-C4' energy: -55.662 flat angles P-C4'-P energy: -30.187 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -319.777058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.777058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.777058 (E_RNA) where: Base-Base interactions energy: -102.478 where: short stacking energy: -87.749 Base-Backbone interact. energy: -1.069 local terms energy: -216.230530 where: bonds (distance) C4'-P energy: -62.742 bonds (distance) P-C4' energy: -58.076 flat angles C4'-P-C4' energy: -50.090 flat angles P-C4'-P energy: -31.939 tors. eta vs tors. theta energy: -13.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1118.404578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.404578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.404578 (E_RNA) where: Base-Base interactions energy: -754.180 where: short stacking energy: -336.363 Base-Backbone interact. energy: -2.673 local terms energy: -361.551745 where: bonds (distance) C4'-P energy: -66.229 bonds (distance) P-C4' energy: -67.758 flat angles C4'-P-C4' energy: -77.912 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -104.307 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: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1057.763302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.763302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.763302 (E_RNA) where: Base-Base interactions energy: -696.732 where: short stacking energy: -306.815 Base-Backbone interact. energy: -2.746 local terms energy: -358.285267 where: bonds (distance) C4'-P energy: -80.455 bonds (distance) P-C4' energy: -75.381 flat angles C4'-P-C4' energy: -71.935 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -84.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -958.963987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.963987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.963987 (E_RNA) where: Base-Base interactions energy: -618.306 where: short stacking energy: -304.863 Base-Backbone interact. energy: -1.071 local terms energy: -339.586855 where: bonds (distance) C4'-P energy: -72.709 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -43.195 tors. eta vs tors. theta energy: -84.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -930.706393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.706393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.706393 (E_RNA) where: Base-Base interactions energy: -614.345 where: short stacking energy: -281.099 Base-Backbone interact. energy: -3.509 local terms energy: -312.852518 where: bonds (distance) C4'-P energy: -60.732 bonds (distance) P-C4' energy: -60.964 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -43.859 tors. eta vs tors. theta energy: -75.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -830.982293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.982293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.982293 (E_RNA) where: Base-Base interactions energy: -545.134 where: short stacking energy: -229.581 Base-Backbone interact. energy: 0.016 local terms energy: -285.863508 where: bonds (distance) C4'-P energy: -62.917 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -57.045 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -55.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -635.266616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.266616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.266616 (E_RNA) where: Base-Base interactions energy: -363.596 where: short stacking energy: -182.046 Base-Backbone interact. energy: -1.398 local terms energy: -270.272716 where: bonds (distance) C4'-P energy: -59.850 bonds (distance) P-C4' energy: -55.952 flat angles C4'-P-C4' energy: -63.653 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -45.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -661.332447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.332447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.332447 (E_RNA) where: Base-Base interactions energy: -402.098 where: short stacking energy: -197.951 Base-Backbone interact. energy: 3.655 local terms energy: -262.888924 where: bonds (distance) C4'-P energy: -53.525 bonds (distance) P-C4' energy: -65.045 flat angles C4'-P-C4' energy: -62.110 flat angles P-C4'-P energy: -37.379 tors. eta vs tors. theta energy: -44.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -388.389701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.389701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.389701 (E_RNA) where: Base-Base interactions energy: -172.557 where: short stacking energy: -119.198 Base-Backbone interact. energy: -1.537 local terms energy: -214.296048 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -45.836 flat angles P-C4'-P energy: -34.967 tors. eta vs tors. theta energy: -5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -394.020040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.020040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.020040 (E_RNA) where: Base-Base interactions energy: -191.729 where: short stacking energy: -109.567 Base-Backbone interact. energy: 0.278 local terms energy: -202.569032 where: bonds (distance) C4'-P energy: -59.408 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -47.521 flat angles P-C4'-P energy: -27.784 tors. eta vs tors. theta energy: -4.194 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: 10, replica: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -278.862959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.862959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.862959 (E_RNA) where: Base-Base interactions energy: -84.760 where: short stacking energy: -78.903 Base-Backbone interact. energy: 0.552 local terms energy: -194.654631 where: bonds (distance) C4'-P energy: -57.109 bonds (distance) P-C4' energy: -46.978 flat angles C4'-P-C4' energy: -54.313 flat angles P-C4'-P energy: -27.051 tors. eta vs tors. theta energy: -9.204 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: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1099.112889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.112889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.112889 (E_RNA) where: Base-Base interactions energy: -736.215 where: short stacking energy: -334.340 Base-Backbone interact. energy: -3.181 local terms energy: -359.716595 where: bonds (distance) C4'-P energy: -56.678 bonds (distance) P-C4' energy: -74.924 flat angles C4'-P-C4' energy: -79.661 flat angles P-C4'-P energy: -54.716 tors. eta vs tors. theta energy: -93.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1070.805620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.805620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.805620 (E_RNA) where: Base-Base interactions energy: -706.931 where: short stacking energy: -328.437 Base-Backbone interact. energy: -1.071 local terms energy: -362.804340 where: bonds (distance) C4'-P energy: -67.181 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -76.412 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -88.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -949.300456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.300456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.300456 (E_RNA) where: Base-Base interactions energy: -605.882 where: short stacking energy: -270.055 Base-Backbone interact. energy: -2.938 local terms energy: -340.480536 where: bonds (distance) C4'-P energy: -65.858 bonds (distance) P-C4' energy: -71.569 flat angles C4'-P-C4' energy: -72.779 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -75.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -896.337550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.337550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.337550 (E_RNA) where: Base-Base interactions energy: -597.993 where: short stacking energy: -255.041 Base-Backbone interact. energy: -1.801 local terms energy: -296.543153 where: bonds (distance) C4'-P energy: -64.882 bonds (distance) P-C4' energy: -57.906 flat angles C4'-P-C4' energy: -66.435 flat angles P-C4'-P energy: -38.588 tors. eta vs tors. theta energy: -68.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -875.006706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.006706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.006706 (E_RNA) where: Base-Base interactions energy: -561.215 where: short stacking energy: -272.282 Base-Backbone interact. energy: -2.211 local terms energy: -311.581321 where: bonds (distance) C4'-P energy: -60.033 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -50.978 tors. eta vs tors. theta energy: -67.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -695.276268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.276268 (E_RNA) where: Base-Base interactions energy: -422.876 where: short stacking energy: -210.144 Base-Backbone interact. energy: -0.663 local terms energy: -271.737060 where: bonds (distance) C4'-P energy: -51.171 bonds (distance) P-C4' energy: -55.676 flat angles C4'-P-C4' energy: -66.587 flat angles P-C4'-P energy: -38.958 tors. eta vs tors. theta energy: -59.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -602.429624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.429624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.429624 (E_RNA) where: Base-Base interactions energy: -357.472 where: short stacking energy: -177.697 Base-Backbone interact. energy: 1.845 local terms energy: -246.802595 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -53.827 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: -37.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -479.590319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.590319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.590319 (E_RNA) where: Base-Base interactions energy: -259.726 where: short stacking energy: -122.959 Base-Backbone interact. energy: -1.329 local terms energy: -218.535907 where: bonds (distance) C4'-P energy: -57.254 bonds (distance) P-C4' energy: -71.705 flat angles C4'-P-C4' energy: -46.933 flat angles P-C4'-P energy: -29.742 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -373.566424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.566424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.566424 (E_RNA) where: Base-Base interactions energy: -175.833 where: short stacking energy: -122.465 Base-Backbone interact. energy: -1.554 local terms energy: -196.179594 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -52.304 flat angles C4'-P-C4' energy: -54.473 flat angles P-C4'-P energy: -29.238 tors. eta vs tors. theta energy: -8.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -317.068499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.068499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.068499 (E_RNA) where: Base-Base interactions energy: -144.539 where: short stacking energy: -115.491 Base-Backbone interact. energy: 0.763 local terms energy: -173.292047 where: bonds (distance) C4'-P energy: -45.294 bonds (distance) P-C4' energy: -47.716 flat angles C4'-P-C4' energy: -52.770 flat angles P-C4'-P energy: -31.431 tors. eta vs tors. theta energy: 3.919 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: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1066.824169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.824169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.824169 (E_RNA) where: Base-Base interactions energy: -707.743 where: short stacking energy: -304.728 Base-Backbone interact. energy: -2.213 local terms energy: -356.868428 where: bonds (distance) C4'-P energy: -70.443 bonds (distance) P-C4' energy: -68.172 flat angles C4'-P-C4' energy: -75.673 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -88.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1061.300149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.300149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.300149 (E_RNA) where: Base-Base interactions energy: -693.536 where: short stacking energy: -326.603 Base-Backbone interact. energy: -1.781 local terms energy: -365.982830 where: bonds (distance) C4'-P energy: -65.116 bonds (distance) P-C4' energy: -72.310 flat angles C4'-P-C4' energy: -74.948 flat angles P-C4'-P energy: -56.497 tors. eta vs tors. theta energy: -97.112 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: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -970.628951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.628951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.628951 (E_RNA) where: Base-Base interactions energy: -620.878 where: short stacking energy: -293.782 Base-Backbone interact. energy: -2.376 local terms energy: -347.375117 where: bonds (distance) C4'-P energy: -71.274 bonds (distance) P-C4' energy: -58.502 flat angles C4'-P-C4' energy: -79.612 flat angles P-C4'-P energy: -54.811 tors. eta vs tors. theta energy: -83.175 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: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -910.264765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.264765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.264765 (E_RNA) where: Base-Base interactions energy: -575.799 where: short stacking energy: -279.139 Base-Backbone interact. energy: -3.129 local terms energy: -331.337524 where: bonds (distance) C4'-P energy: -59.623 bonds (distance) P-C4' energy: -69.103 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -75.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -852.457194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.457194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.457194 (E_RNA) where: Base-Base interactions energy: -550.642 where: short stacking energy: -251.470 Base-Backbone interact. energy: -2.243 local terms energy: -299.572218 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -71.963 flat angles C4'-P-C4' energy: -60.410 flat angles P-C4'-P energy: -44.004 tors. eta vs tors. theta energy: -60.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -703.974761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.974761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.974761 (E_RNA) where: Base-Base interactions energy: -432.532 where: short stacking energy: -225.594 Base-Backbone interact. energy: -2.035 local terms energy: -269.408600 where: bonds (distance) C4'-P energy: -57.072 bonds (distance) P-C4' energy: -51.202 flat angles C4'-P-C4' energy: -70.936 flat angles P-C4'-P energy: -36.051 tors. eta vs tors. theta energy: -54.148 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: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -593.133337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.133337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.133337 (E_RNA) where: Base-Base interactions energy: -350.676 where: short stacking energy: -170.909 Base-Backbone interact. energy: -2.075 local terms energy: -240.381859 where: bonds (distance) C4'-P energy: -50.866 bonds (distance) P-C4' energy: -58.792 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -33.094 tors. eta vs tors. theta energy: -35.344 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: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -484.406074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.406074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.406074 (E_RNA) where: Base-Base interactions energy: -250.415 where: short stacking energy: -136.506 Base-Backbone interact. energy: -2.874 local terms energy: -231.117171 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -62.757 flat angles C4'-P-C4' energy: -63.525 flat angles P-C4'-P energy: -34.242 tors. eta vs tors. theta energy: -11.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -390.399339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.399339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.399339 (E_RNA) where: Base-Base interactions energy: -170.676 where: short stacking energy: -93.263 Base-Backbone interact. energy: 4.254 local terms energy: -223.977903 where: bonds (distance) C4'-P energy: -64.648 bonds (distance) P-C4' energy: -64.510 flat angles C4'-P-C4' energy: -53.871 flat angles P-C4'-P energy: -48.699 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: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -370.001607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.001607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.001607 (E_RNA) where: Base-Base interactions energy: -189.062 where: short stacking energy: -115.267 Base-Backbone interact. energy: -1.880 local terms energy: -179.059188 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -35.002 flat angles P-C4'-P energy: -21.709 tors. eta vs tors. theta energy: 2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1083.621628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.621628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.621628 (E_RNA) where: Base-Base interactions energy: -741.281 where: short stacking energy: -300.055 Base-Backbone interact. energy: -0.384 local terms energy: -341.956822 where: bonds (distance) C4'-P energy: -74.448 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -73.646 flat angles P-C4'-P energy: -41.875 tors. eta vs tors. theta energy: -82.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1077.978136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.978136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.978136 (E_RNA) where: Base-Base interactions energy: -711.859 where: short stacking energy: -340.699 Base-Backbone interact. energy: -1.243 local terms energy: -364.876438 where: bonds (distance) C4'-P energy: -53.312 bonds (distance) P-C4' energy: -70.263 flat angles C4'-P-C4' energy: -76.634 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -110.692 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: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -959.481020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.481020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.481020 (E_RNA) where: Base-Base interactions energy: -639.225 where: short stacking energy: -303.817 Base-Backbone interact. energy: 1.511 local terms energy: -321.766983 where: bonds (distance) C4'-P energy: -56.275 bonds (distance) P-C4' energy: -62.746 flat angles C4'-P-C4' energy: -72.216 flat angles P-C4'-P energy: -44.247 tors. eta vs tors. theta energy: -86.283 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: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -890.348968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.348968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.348968 (E_RNA) where: Base-Base interactions energy: -566.531 where: short stacking energy: -262.753 Base-Backbone interact. energy: -2.461 local terms energy: -321.357412 where: bonds (distance) C4'-P energy: -63.616 bonds (distance) P-C4' energy: -62.480 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -78.644 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: 9 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -863.370021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.370021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.370021 (E_RNA) where: Base-Base interactions energy: -552.700 where: short stacking energy: -262.963 Base-Backbone interact. energy: -0.229 local terms energy: -310.441725 where: bonds (distance) C4'-P energy: -56.717 bonds (distance) P-C4' energy: -72.692 flat angles C4'-P-C4' energy: -70.479 flat angles P-C4'-P energy: -42.812 tors. eta vs tors. theta energy: -67.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -687.266287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.266287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.266287 (E_RNA) where: Base-Base interactions energy: -421.459 where: short stacking energy: -217.860 Base-Backbone interact. energy: 1.696 local terms energy: -267.502680 where: bonds (distance) C4'-P energy: -63.264 bonds (distance) P-C4' energy: -55.200 flat angles C4'-P-C4' energy: -59.245 flat angles P-C4'-P energy: -38.955 tors. eta vs tors. theta energy: -50.840 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: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -612.526147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.526147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.526147 (E_RNA) where: Base-Base interactions energy: -369.830 where: short stacking energy: -194.439 Base-Backbone interact. energy: 0.613 local terms energy: -243.309137 where: bonds (distance) C4'-P energy: -62.732 bonds (distance) P-C4' energy: -62.528 flat angles C4'-P-C4' energy: -59.771 flat angles P-C4'-P energy: -26.412 tors. eta vs tors. theta energy: -31.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -506.900794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.900794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.900794 (E_RNA) where: Base-Base interactions energy: -297.890 where: short stacking energy: -154.546 Base-Backbone interact. energy: 2.157 local terms energy: -211.168329 where: bonds (distance) C4'-P energy: -53.915 bonds (distance) P-C4' energy: -65.594 flat angles C4'-P-C4' energy: -58.254 flat angles P-C4'-P energy: -27.869 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -404.685513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.685513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.685513 (E_RNA) where: Base-Base interactions energy: -199.128 where: short stacking energy: -137.539 Base-Backbone interact. energy: -0.714 local terms energy: -204.843451 where: bonds (distance) C4'-P energy: -59.512 bonds (distance) P-C4' energy: -59.622 flat angles C4'-P-C4' energy: -49.930 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: -3.772 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: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -358.083711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.083711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.083711 (E_RNA) where: Base-Base interactions energy: -145.462 where: short stacking energy: -92.368 Base-Backbone interact. energy: -1.420 local terms energy: -211.202065 where: bonds (distance) C4'-P energy: -54.116 bonds (distance) P-C4' energy: -66.897 flat angles C4'-P-C4' energy: -51.233 flat angles P-C4'-P energy: -38.545 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1056.305213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.305213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.305213 (E_RNA) where: Base-Base interactions energy: -693.450 where: short stacking energy: -298.497 Base-Backbone interact. energy: -3.268 local terms energy: -359.587621 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -71.960 flat angles C4'-P-C4' energy: -67.479 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -94.123 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: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1038.625441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.625441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.625441 (E_RNA) where: Base-Base interactions energy: -716.420 where: short stacking energy: -290.297 Base-Backbone interact. energy: -2.801 local terms energy: -319.404762 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -75.266 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -75.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -957.903990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.903990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.903990 (E_RNA) where: Base-Base interactions energy: -621.567 where: short stacking energy: -295.990 Base-Backbone interact. energy: -0.915 local terms energy: -335.421708 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -52.020 tors. eta vs tors. theta energy: -80.112 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: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -907.953415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.953415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.953415 (E_RNA) where: Base-Base interactions energy: -587.814 where: short stacking energy: -291.172 Base-Backbone interact. energy: -0.274 local terms energy: -319.865529 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -61.030 flat angles C4'-P-C4' energy: -62.360 flat angles P-C4'-P energy: -48.022 tors. eta vs tors. theta energy: -80.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -861.995750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.995750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.995750 (E_RNA) where: Base-Base interactions energy: -568.724 where: short stacking energy: -260.917 Base-Backbone interact. energy: -1.803 local terms energy: -291.469109 where: bonds (distance) C4'-P energy: -51.226 bonds (distance) P-C4' energy: -52.997 flat angles C4'-P-C4' energy: -73.424 flat angles P-C4'-P energy: -46.278 tors. eta vs tors. theta energy: -67.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -686.505010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.505010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.505010 (E_RNA) where: Base-Base interactions energy: -441.509 where: short stacking energy: -219.203 Base-Backbone interact. energy: -1.429 local terms energy: -243.567144 where: bonds (distance) C4'-P energy: -47.311 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -56.797 flat angles P-C4'-P energy: -35.509 tors. eta vs tors. theta energy: -39.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -601.269096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.269096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.269096 (E_RNA) where: Base-Base interactions energy: -358.234 where: short stacking energy: -174.775 Base-Backbone interact. energy: 1.665 local terms energy: -244.700397 where: bonds (distance) C4'-P energy: -52.482 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -66.826 flat angles P-C4'-P energy: -36.376 tors. eta vs tors. theta energy: -28.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -512.397503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.397503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.397503 (E_RNA) where: Base-Base interactions energy: -305.689 where: short stacking energy: -143.892 Base-Backbone interact. energy: 1.085 local terms energy: -207.793494 where: bonds (distance) C4'-P energy: -43.506 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -47.797 flat angles P-C4'-P energy: -28.983 tors. eta vs tors. theta energy: -27.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -409.441973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.441973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.441973 (E_RNA) where: Base-Base interactions energy: -184.230 where: short stacking energy: -115.244 Base-Backbone interact. energy: -0.338 local terms energy: -224.874818 where: bonds (distance) C4'-P energy: -57.172 bonds (distance) P-C4' energy: -55.991 flat angles C4'-P-C4' energy: -54.206 flat angles P-C4'-P energy: -48.406 tors. eta vs tors. theta energy: -9.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -307.623287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.623287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.623287 (E_RNA) where: Base-Base interactions energy: -128.565 where: short stacking energy: -83.258 Base-Backbone interact. energy: -0.139 local terms energy: -178.919401 where: bonds (distance) C4'-P energy: -53.002 bonds (distance) P-C4' energy: -69.635 flat angles C4'-P-C4' energy: -34.433 flat angles P-C4'-P energy: -23.013 tors. eta vs tors. theta energy: 1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1101.931754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.931754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.931754 (E_RNA) where: Base-Base interactions energy: -738.779 where: short stacking energy: -350.399 Base-Backbone interact. energy: -2.442 local terms energy: -360.710651 where: bonds (distance) C4'-P energy: -65.760 bonds (distance) P-C4' energy: -69.478 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -47.672 tors. eta vs tors. theta energy: -102.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1038.504326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.504326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.504326 (E_RNA) where: Base-Base interactions energy: -703.533 where: short stacking energy: -293.000 Base-Backbone interact. energy: 2.015 local terms energy: -336.986158 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -71.649 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -85.310 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: 89 Temperature: 1.000000 Total energy: -946.154139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.154139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.154139 (E_RNA) where: Base-Base interactions energy: -620.567 where: short stacking energy: -279.906 Base-Backbone interact. energy: -2.056 local terms energy: -323.530948 where: bonds (distance) C4'-P energy: -63.137 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -67.890 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -77.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -902.956939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.956939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.956939 (E_RNA) where: Base-Base interactions energy: -601.584 where: short stacking energy: -255.793 Base-Backbone interact. energy: -1.431 local terms energy: -299.941819 where: bonds (distance) C4'-P energy: -60.042 bonds (distance) P-C4' energy: -75.352 flat angles C4'-P-C4' energy: -57.692 flat angles P-C4'-P energy: -39.266 tors. eta vs tors. theta energy: -67.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -884.722437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.722437 (E_RNA) where: Base-Base interactions energy: -578.487 where: short stacking energy: -273.271 Base-Backbone interact. energy: -1.148 local terms energy: -305.086858 where: bonds (distance) C4'-P energy: -61.571 bonds (distance) P-C4' energy: -56.318 flat angles C4'-P-C4' energy: -72.907 flat angles P-C4'-P energy: -39.655 tors. eta vs tors. theta energy: -74.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -683.739186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.739186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.739186 (E_RNA) where: Base-Base interactions energy: -430.022 where: short stacking energy: -187.902 Base-Backbone interact. energy: -0.805 local terms energy: -252.913066 where: bonds (distance) C4'-P energy: -38.114 bonds (distance) P-C4' energy: -75.412 flat angles C4'-P-C4' energy: -70.327 flat angles P-C4'-P energy: -33.231 tors. eta vs tors. theta energy: -35.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -621.721307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.721307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.721307 (E_RNA) where: Base-Base interactions energy: -387.015 where: short stacking energy: -205.949 Base-Backbone interact. energy: -1.004 local terms energy: -233.702537 where: bonds (distance) C4'-P energy: -47.153 bonds (distance) P-C4' energy: -58.172 flat angles C4'-P-C4' energy: -59.078 flat angles P-C4'-P energy: -31.440 tors. eta vs tors. theta energy: -37.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -548.223970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.223970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.223970 (E_RNA) where: Base-Base interactions energy: -311.998 where: short stacking energy: -140.789 Base-Backbone interact. energy: -1.268 local terms energy: -234.958297 where: bonds (distance) C4'-P energy: -56.334 bonds (distance) P-C4' energy: -66.414 flat angles C4'-P-C4' energy: -51.989 flat angles P-C4'-P energy: -32.332 tors. eta vs tors. theta energy: -27.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -427.968411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.968411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.968411 (E_RNA) where: Base-Base interactions energy: -216.454 where: short stacking energy: -121.844 Base-Backbone interact. energy: -0.870 local terms energy: -210.644355 where: bonds (distance) C4'-P energy: -62.588 bonds (distance) P-C4' energy: -65.962 flat angles C4'-P-C4' energy: -46.321 flat angles P-C4'-P energy: -19.471 tors. eta vs tors. theta energy: -16.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -268.670280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.670280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.670280 (E_RNA) where: Base-Base interactions energy: -75.574 where: short stacking energy: -55.780 Base-Backbone interact. energy: -0.763 local terms energy: -192.333556 where: bonds (distance) C4'-P energy: -60.444 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -56.107 flat angles P-C4'-P energy: -34.920 tors. eta vs tors. theta energy: 15.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1105.631242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.631242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.631242 (E_RNA) where: Base-Base interactions energy: -730.896 where: short stacking energy: -348.716 Base-Backbone interact. energy: -1.924 local terms energy: -372.810692 where: bonds (distance) C4'-P energy: -64.398 bonds (distance) P-C4' energy: -74.626 flat angles C4'-P-C4' energy: -78.718 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -103.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1065.090747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.090747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.090747 (E_RNA) where: Base-Base interactions energy: -725.800 where: short stacking energy: -319.030 Base-Backbone interact. energy: -1.073 local terms energy: -338.218024 where: bonds (distance) C4'-P energy: -69.150 bonds (distance) P-C4' energy: -68.525 flat angles C4'-P-C4' energy: -79.809 flat angles P-C4'-P energy: -36.270 tors. eta vs tors. theta energy: -84.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1003.068987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.068987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.068987 (E_RNA) where: Base-Base interactions energy: -662.125 where: short stacking energy: -301.040 Base-Backbone interact. energy: -1.855 local terms energy: -339.089090 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -73.235 flat angles C4'-P-C4' energy: -75.956 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -86.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -875.687436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.687436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.687436 (E_RNA) where: Base-Base interactions energy: -563.785 where: short stacking energy: -256.343 Base-Backbone interact. energy: -1.250 local terms energy: -310.652122 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -70.540 flat angles P-C4'-P energy: -34.482 tors. eta vs tors. theta energy: -73.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -886.907955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.907955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.907955 (E_RNA) where: Base-Base interactions energy: -576.140 where: short stacking energy: -252.023 Base-Backbone interact. energy: -0.622 local terms energy: -310.145091 where: bonds (distance) C4'-P energy: -55.405 bonds (distance) P-C4' energy: -61.982 flat angles C4'-P-C4' energy: -66.339 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -76.938 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: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -694.240266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.240266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.240266 (E_RNA) where: Base-Base interactions energy: -420.739 where: short stacking energy: -194.061 Base-Backbone interact. energy: 1.898 local terms energy: -275.399272 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -69.348 flat angles C4'-P-C4' energy: -73.274 flat angles P-C4'-P energy: -32.396 tors. eta vs tors. theta energy: -39.017 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: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -593.168566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.168566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.168566 (E_RNA) where: Base-Base interactions energy: -353.669 where: short stacking energy: -178.687 Base-Backbone interact. energy: 1.276 local terms energy: -240.775407 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -60.467 flat angles C4'-P-C4' energy: -61.265 flat angles P-C4'-P energy: -29.284 tors. eta vs tors. theta energy: -25.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -540.812175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.812175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.812175 (E_RNA) where: Base-Base interactions energy: -310.684 where: short stacking energy: -162.007 Base-Backbone interact. energy: 1.636 local terms energy: -231.764201 where: bonds (distance) C4'-P energy: -60.461 bonds (distance) P-C4' energy: -62.142 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -33.773 tors. eta vs tors. theta energy: -26.877 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: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -406.192772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.192772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.192772 (E_RNA) where: Base-Base interactions energy: -196.299 where: short stacking energy: -127.809 Base-Backbone interact. energy: 1.300 local terms energy: -211.193908 where: bonds (distance) C4'-P energy: -47.974 bonds (distance) P-C4' energy: -57.855 flat angles C4'-P-C4' energy: -54.418 flat angles P-C4'-P energy: -30.104 tors. eta vs tors. theta energy: -20.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -293.949857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.949857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.949857 (E_RNA) where: Base-Base interactions energy: -137.335 where: short stacking energy: -101.894 Base-Backbone interact. energy: 2.034 local terms energy: -158.649462 where: bonds (distance) C4'-P energy: -52.431 bonds (distance) P-C4' energy: -63.495 flat angles C4'-P-C4' energy: -27.879 flat angles P-C4'-P energy: -30.602 tors. eta vs tors. theta energy: 15.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1102.496302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.496302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.496302 (E_RNA) where: Base-Base interactions energy: -737.058 where: short stacking energy: -352.450 Base-Backbone interact. energy: -1.002 local terms energy: -364.436506 where: bonds (distance) C4'-P energy: -55.792 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -53.160 tors. eta vs tors. theta energy: -111.951 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: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1059.627799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.627799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.627799 (E_RNA) where: Base-Base interactions energy: -707.235 where: short stacking energy: -298.398 Base-Backbone interact. energy: -0.844 local terms energy: -351.548744 where: bonds (distance) C4'-P energy: -63.695 bonds (distance) P-C4' energy: -73.605 flat angles C4'-P-C4' energy: -79.967 flat angles P-C4'-P energy: -43.468 tors. eta vs tors. theta energy: -90.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -995.923847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.923847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.923847 (E_RNA) where: Base-Base interactions energy: -645.381 where: short stacking energy: -294.214 Base-Backbone interact. energy: -1.088 local terms energy: -349.455744 where: bonds (distance) C4'-P energy: -68.233 bonds (distance) P-C4' energy: -68.640 flat angles C4'-P-C4' energy: -70.871 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -92.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -920.733531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.733531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.733531 (E_RNA) where: Base-Base interactions energy: -585.061 where: short stacking energy: -272.417 Base-Backbone interact. energy: -0.570 local terms energy: -335.102005 where: bonds (distance) C4'-P energy: -67.203 bonds (distance) P-C4' energy: -62.155 flat angles C4'-P-C4' energy: -72.649 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -88.147 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: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -831.296091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.296091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.296091 (E_RNA) where: Base-Base interactions energy: -515.562 where: short stacking energy: -251.850 Base-Backbone interact. energy: 0.254 local terms energy: -315.988405 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -72.740 flat angles C4'-P-C4' energy: -74.970 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: -64.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -693.378075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.378075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.378075 (E_RNA) where: Base-Base interactions energy: -422.520 where: short stacking energy: -198.191 Base-Backbone interact. energy: 0.128 local terms energy: -270.986448 where: bonds (distance) C4'-P energy: -64.475 bonds (distance) P-C4' energy: -62.961 flat angles C4'-P-C4' energy: -61.781 flat angles P-C4'-P energy: -37.885 tors. eta vs tors. theta energy: -43.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -597.049374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.049374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.049374 (E_RNA) where: Base-Base interactions energy: -352.892 where: short stacking energy: -160.331 Base-Backbone interact. energy: -1.367 local terms energy: -242.790714 where: bonds (distance) C4'-P energy: -53.635 bonds (distance) P-C4' energy: -63.447 flat angles C4'-P-C4' energy: -44.700 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -36.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -510.109489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.109489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.109489 (E_RNA) where: Base-Base interactions energy: -297.654 where: short stacking energy: -155.426 Base-Backbone interact. energy: -0.082 local terms energy: -212.373544 where: bonds (distance) C4'-P energy: -49.388 bonds (distance) P-C4' energy: -50.988 flat angles C4'-P-C4' energy: -55.567 flat angles P-C4'-P energy: -22.123 tors. eta vs tors. theta energy: -34.307 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: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -410.717367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.717367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.717367 (E_RNA) where: Base-Base interactions energy: -202.848 where: short stacking energy: -132.466 Base-Backbone interact. energy: -0.944 local terms energy: -206.924990 where: bonds (distance) C4'-P energy: -49.723 bonds (distance) P-C4' energy: -59.881 flat angles C4'-P-C4' energy: -56.817 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -7.355 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: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -289.621873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.621873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.621873 (E_RNA) where: Base-Base interactions energy: -113.180 where: short stacking energy: -91.213 Base-Backbone interact. energy: 0.740 local terms energy: -177.182430 where: bonds (distance) C4'-P energy: -55.572 bonds (distance) P-C4' energy: -53.882 flat angles C4'-P-C4' energy: -48.522 flat angles P-C4'-P energy: -33.237 tors. eta vs tors. theta energy: 14.030 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: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1108.316558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.316558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.316558 (E_RNA) where: Base-Base interactions energy: -733.248 where: short stacking energy: -352.723 Base-Backbone interact. energy: -2.756 local terms energy: -372.311850 where: bonds (distance) C4'-P energy: -66.092 bonds (distance) P-C4' energy: -69.955 flat angles C4'-P-C4' energy: -81.231 flat angles P-C4'-P energy: -43.526 tors. eta vs tors. theta energy: -111.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1060.447350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.447350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.447350 (E_RNA) where: Base-Base interactions energy: -727.331 where: short stacking energy: -315.092 Base-Backbone interact. energy: 0.774 local terms energy: -333.890383 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -58.841 flat angles C4'-P-C4' energy: -76.626 flat angles P-C4'-P energy: -52.965 tors. eta vs tors. theta energy: -87.536 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: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1003.468122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.468122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.468122 (E_RNA) where: Base-Base interactions energy: -651.927 where: short stacking energy: -320.626 Base-Backbone interact. energy: -1.817 local terms energy: -349.724699 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -76.948 flat angles C4'-P-C4' energy: -75.280 flat angles P-C4'-P energy: -35.629 tors. eta vs tors. theta energy: -94.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -945.020750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.020750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.020750 (E_RNA) where: Base-Base interactions energy: -628.876 where: short stacking energy: -277.344 Base-Backbone interact. energy: -2.036 local terms energy: -314.108285 where: bonds (distance) C4'-P energy: -58.006 bonds (distance) P-C4' energy: -71.652 flat angles C4'-P-C4' energy: -61.441 flat angles P-C4'-P energy: -39.594 tors. eta vs tors. theta energy: -83.416 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: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -874.694579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.694579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.694579 (E_RNA) where: Base-Base interactions energy: -551.618 where: short stacking energy: -259.607 Base-Backbone interact. energy: -2.122 local terms energy: -320.954493 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -72.740 flat angles C4'-P-C4' energy: -77.645 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -62.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -771.087070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.087070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.087070 (E_RNA) where: Base-Base interactions energy: -477.408 where: short stacking energy: -235.160 Base-Backbone interact. energy: 0.966 local terms energy: -294.644356 where: bonds (distance) C4'-P energy: -54.286 bonds (distance) P-C4' energy: -73.165 flat angles C4'-P-C4' energy: -65.320 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -63.215 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: 92 Temperature: 1.200000 Total energy: -585.754637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.754637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.754637 (E_RNA) where: Base-Base interactions energy: -335.402 where: short stacking energy: -169.862 Base-Backbone interact. energy: -2.720 local terms energy: -247.632080 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -53.591 flat angles C4'-P-C4' energy: -60.848 flat angles P-C4'-P energy: -47.986 tors. eta vs tors. theta energy: -25.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -487.800971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.800971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.800971 (E_RNA) where: Base-Base interactions energy: -255.755 where: short stacking energy: -141.157 Base-Backbone interact. energy: -0.956 local terms energy: -231.089946 where: bonds (distance) C4'-P energy: -51.308 bonds (distance) P-C4' energy: -66.256 flat angles C4'-P-C4' energy: -52.552 flat angles P-C4'-P energy: -36.914 tors. eta vs tors. theta energy: -24.061 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: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -312.607176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.607176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.607176 (E_RNA) where: Base-Base interactions energy: -122.417 where: short stacking energy: -91.016 Base-Backbone interact. energy: 0.072 local terms energy: -190.262515 where: bonds (distance) C4'-P energy: -49.831 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -59.696 flat angles P-C4'-P energy: -25.608 tors. eta vs tors. theta energy: 10.304 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: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -300.573202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.573202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.573202 (E_RNA) where: Base-Base interactions energy: -93.062 where: short stacking energy: -81.968 Base-Backbone interact. energy: 0.136 local terms energy: -207.646773 where: bonds (distance) C4'-P energy: -61.059 bonds (distance) P-C4' energy: -60.531 flat angles C4'-P-C4' energy: -60.613 flat angles P-C4'-P energy: -36.727 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: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1113.584958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.584958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.584958 (E_RNA) where: Base-Base interactions energy: -754.265 where: short stacking energy: -341.514 Base-Backbone interact. energy: -2.533 local terms energy: -356.787031 where: bonds (distance) C4'-P energy: -65.184 bonds (distance) P-C4' energy: -56.585 flat angles C4'-P-C4' energy: -75.195 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -110.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1071.439737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.439737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.439737 (E_RNA) where: Base-Base interactions energy: -719.681 where: short stacking energy: -322.380 Base-Backbone interact. energy: -1.374 local terms energy: -350.384803 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -77.809 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -93.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -979.787178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.787178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.787178 (E_RNA) where: Base-Base interactions energy: -663.602 where: short stacking energy: -312.223 Base-Backbone interact. energy: -2.780 local terms energy: -313.404847 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -71.159 flat angles C4'-P-C4' energy: -65.265 flat angles P-C4'-P energy: -33.287 tors. eta vs tors. theta energy: -78.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -937.901173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.901173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.901173 (E_RNA) where: Base-Base interactions energy: -604.182 where: short stacking energy: -284.322 Base-Backbone interact. energy: -1.574 local terms energy: -332.144829 where: bonds (distance) C4'-P energy: -70.806 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -75.842 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -85.351 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: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -836.490009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.490009 (E_RNA) where: Base-Base interactions energy: -540.705 where: short stacking energy: -248.763 Base-Backbone interact. energy: -0.338 local terms energy: -295.447457 where: bonds (distance) C4'-P energy: -59.144 bonds (distance) P-C4' energy: -56.947 flat angles C4'-P-C4' energy: -69.472 flat angles P-C4'-P energy: -45.648 tors. eta vs tors. theta energy: -64.236 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: 93 Temperature: 1.150000 Total energy: -793.181095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.181095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.181095 (E_RNA) where: Base-Base interactions energy: -486.649 where: short stacking energy: -242.455 Base-Backbone interact. energy: -2.252 local terms energy: -304.279988 where: bonds (distance) C4'-P energy: -62.181 bonds (distance) P-C4' energy: -64.475 flat angles C4'-P-C4' energy: -73.047 flat angles P-C4'-P energy: -36.283 tors. eta vs tors. theta energy: -68.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -603.838941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.838941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.838941 (E_RNA) where: Base-Base interactions energy: -331.155 where: short stacking energy: -180.647 Base-Backbone interact. energy: -0.902 local terms energy: -271.782560 where: bonds (distance) C4'-P energy: -70.777 bonds (distance) P-C4' energy: -68.023 flat angles C4'-P-C4' energy: -52.371 flat angles P-C4'-P energy: -44.518 tors. eta vs tors. theta energy: -36.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -426.132214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.132214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.132214 (E_RNA) where: Base-Base interactions energy: -221.189 where: short stacking energy: -137.271 Base-Backbone interact. energy: 0.804 local terms energy: -205.746785 where: bonds (distance) C4'-P energy: -57.346 bonds (distance) P-C4' energy: -54.169 flat angles C4'-P-C4' energy: -59.441 flat angles P-C4'-P energy: -32.635 tors. eta vs tors. theta energy: -2.155 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: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -296.073330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.073330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.073330 (E_RNA) where: Base-Base interactions energy: -110.778 where: short stacking energy: -83.953 Base-Backbone interact. energy: -2.169 local terms energy: -183.125925 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -64.292 flat angles C4'-P-C4' energy: -51.028 flat angles P-C4'-P energy: -24.038 tors. eta vs tors. theta energy: 10.397 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -410.806685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.806685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.806685 (E_RNA) where: Base-Base interactions energy: -209.555 where: short stacking energy: -112.661 Base-Backbone interact. energy: -0.887 local terms energy: -200.364790 where: bonds (distance) C4'-P energy: -57.251 bonds (distance) P-C4' energy: -53.959 flat angles C4'-P-C4' energy: -54.194 flat angles P-C4'-P energy: -28.388 tors. eta vs tors. theta energy: -6.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1122.841416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.841416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.841416 (E_RNA) where: Base-Base interactions energy: -748.363 where: short stacking energy: -345.348 Base-Backbone interact. energy: -2.286 local terms energy: -372.192563 where: bonds (distance) C4'-P energy: -76.838 bonds (distance) P-C4' energy: -72.600 flat angles C4'-P-C4' energy: -68.849 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -109.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1086.915249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.915249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.915249 (E_RNA) where: Base-Base interactions energy: -739.996 where: short stacking energy: -338.439 Base-Backbone interact. energy: 0.179 local terms energy: -347.098775 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -62.467 flat angles C4'-P-C4' energy: -81.022 flat angles P-C4'-P energy: -49.169 tors. eta vs tors. theta energy: -94.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1001.744593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.744593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.744593 (E_RNA) where: Base-Base interactions energy: -654.724 where: short stacking energy: -295.523 Base-Backbone interact. energy: -0.385 local terms energy: -346.635419 where: bonds (distance) C4'-P energy: -70.148 bonds (distance) P-C4' energy: -71.802 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -81.261 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: 4, replica: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -925.419205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.419205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.419205 (E_RNA) where: Base-Base interactions energy: -612.548 where: short stacking energy: -277.258 Base-Backbone interact. energy: -1.329 local terms energy: -311.541842 where: bonds (distance) C4'-P energy: -66.504 bonds (distance) P-C4' energy: -67.528 flat angles C4'-P-C4' energy: -62.871 flat angles P-C4'-P energy: -43.645 tors. eta vs tors. theta energy: -70.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -850.545921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.545921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.545921 (E_RNA) where: Base-Base interactions energy: -556.866 where: short stacking energy: -250.620 Base-Backbone interact. energy: -2.166 local terms energy: -291.514528 where: bonds (distance) C4'-P energy: -56.390 bonds (distance) P-C4' energy: -66.167 flat angles C4'-P-C4' energy: -61.796 flat angles P-C4'-P energy: -40.999 tors. eta vs tors. theta energy: -66.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -759.823089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.823089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.823089 (E_RNA) where: Base-Base interactions energy: -467.950 where: short stacking energy: -215.429 Base-Backbone interact. energy: -0.687 local terms energy: -291.185886 where: bonds (distance) C4'-P energy: -61.455 bonds (distance) P-C4' energy: -60.812 flat angles C4'-P-C4' energy: -73.169 flat angles P-C4'-P energy: -37.770 tors. eta vs tors. theta energy: -57.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -573.769068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.769068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.769068 (E_RNA) where: Base-Base interactions energy: -335.910 where: short stacking energy: -162.479 Base-Backbone interact. energy: -0.282 local terms energy: -237.576814 where: bonds (distance) C4'-P energy: -70.457 bonds (distance) P-C4' energy: -60.934 flat angles C4'-P-C4' energy: -60.279 flat angles P-C4'-P energy: -22.699 tors. eta vs tors. theta energy: -23.208 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: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -513.890554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.890554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.890554 (E_RNA) where: Base-Base interactions energy: -251.780 where: short stacking energy: -160.976 Base-Backbone interact. energy: -1.283 local terms energy: -260.828128 where: bonds (distance) C4'-P energy: -71.166 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -52.664 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -31.185 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: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -290.769082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.769082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.769082 (E_RNA) where: Base-Base interactions energy: -89.364 where: short stacking energy: -85.870 Base-Backbone interact. energy: -0.933 local terms energy: -200.471248 where: bonds (distance) C4'-P energy: -62.966 bonds (distance) P-C4' energy: -52.765 flat angles C4'-P-C4' energy: -50.605 flat angles P-C4'-P energy: -33.018 tors. eta vs tors. theta energy: -1.118 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: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -280.694783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.694783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.694783 (E_RNA) where: Base-Base interactions energy: -88.063 where: short stacking energy: -87.608 Base-Backbone interact. energy: 6.949 local terms energy: -199.581030 where: bonds (distance) C4'-P energy: -59.807 bonds (distance) P-C4' energy: -60.408 flat angles C4'-P-C4' energy: -43.667 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: 3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1115.665043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.665043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.665043 (E_RNA) where: Base-Base interactions energy: -744.415 where: short stacking energy: -360.728 Base-Backbone interact. energy: 0.562 local terms energy: -371.812925 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -76.524 flat angles C4'-P-C4' energy: -78.536 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -106.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1063.278300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.278300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.278300 (E_RNA) where: Base-Base interactions energy: -714.353 where: short stacking energy: -301.272 Base-Backbone interact. energy: -0.301 local terms energy: -348.624460 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -71.312 flat angles C4'-P-C4' energy: -70.795 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -90.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1011.891346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.891346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.891346 (E_RNA) where: Base-Base interactions energy: -666.125 where: short stacking energy: -301.234 Base-Backbone interact. energy: 0.566 local terms energy: -346.331800 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -72.686 flat angles C4'-P-C4' energy: -78.444 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -80.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -918.190913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.190913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.190913 (E_RNA) where: Base-Base interactions energy: -620.910 where: short stacking energy: -288.327 Base-Backbone interact. energy: -0.495 local terms energy: -296.785457 where: bonds (distance) C4'-P energy: -56.820 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -75.201 flat angles P-C4'-P energy: -26.977 tors. eta vs tors. theta energy: -76.920 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: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -834.096353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.096353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.096353 (E_RNA) where: Base-Base interactions energy: -547.183 where: short stacking energy: -255.723 Base-Backbone interact. energy: -1.035 local terms energy: -285.878011 where: bonds (distance) C4'-P energy: -66.383 bonds (distance) P-C4' energy: -61.070 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -33.426 tors. eta vs tors. theta energy: -54.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -760.143250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.143250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.143250 (E_RNA) where: Base-Base interactions energy: -488.684 where: short stacking energy: -235.934 Base-Backbone interact. energy: 0.528 local terms energy: -271.986735 where: bonds (distance) C4'-P energy: -53.333 bonds (distance) P-C4' energy: -64.228 flat angles C4'-P-C4' energy: -61.634 flat angles P-C4'-P energy: -32.538 tors. eta vs tors. theta energy: -60.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -545.936606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.936606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.936606 (E_RNA) where: Base-Base interactions energy: -303.648 where: short stacking energy: -162.826 Base-Backbone interact. energy: -0.640 local terms energy: -241.648815 where: bonds (distance) C4'-P energy: -65.879 bonds (distance) P-C4' energy: -69.762 flat angles C4'-P-C4' energy: -50.237 flat angles P-C4'-P energy: -30.309 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: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -459.440699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.440699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.440699 (E_RNA) where: Base-Base interactions energy: -240.462 where: short stacking energy: -154.869 Base-Backbone interact. energy: -0.000 local terms energy: -218.978373 where: bonds (distance) C4'-P energy: -44.633 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -57.814 flat angles P-C4'-P energy: -34.045 tors. eta vs tors. theta energy: -21.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -305.690508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.690508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.690508 (E_RNA) where: Base-Base interactions energy: -91.920 where: short stacking energy: -81.944 Base-Backbone interact. energy: -0.937 local terms energy: -212.833215 where: bonds (distance) C4'-P energy: -75.721 bonds (distance) P-C4' energy: -65.549 flat angles C4'-P-C4' energy: -36.963 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: -2.200 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: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -339.128191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.128191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.128191 (E_RNA) where: Base-Base interactions energy: -132.717 where: short stacking energy: -109.210 Base-Backbone interact. energy: -1.423 local terms energy: -204.988053 where: bonds (distance) C4'-P energy: -68.775 bonds (distance) P-C4' energy: -61.556 flat angles C4'-P-C4' energy: -43.419 flat angles P-C4'-P energy: -21.785 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1092.852915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.852915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.852915 (E_RNA) where: Base-Base interactions energy: -731.349 where: short stacking energy: -337.880 Base-Backbone interact. energy: -0.696 local terms energy: -360.807470 where: bonds (distance) C4'-P energy: -65.018 bonds (distance) P-C4' energy: -68.214 flat angles C4'-P-C4' energy: -75.294 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -104.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1048.985744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.985744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.985744 (E_RNA) where: Base-Base interactions energy: -706.795 where: short stacking energy: -302.764 Base-Backbone interact. energy: 0.014 local terms energy: -342.204817 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -78.983 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -82.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -952.338155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.338155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.338155 (E_RNA) where: Base-Base interactions energy: -619.138 where: short stacking energy: -270.293 Base-Backbone interact. energy: -1.708 local terms energy: -331.493021 where: bonds (distance) C4'-P energy: -71.519 bonds (distance) P-C4' energy: -64.305 flat angles C4'-P-C4' energy: -79.824 flat angles P-C4'-P energy: -46.534 tors. eta vs tors. theta energy: -69.310 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: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -883.747198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.747198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.747198 (E_RNA) where: Base-Base interactions energy: -565.693 where: short stacking energy: -264.154 Base-Backbone interact. energy: -0.008 local terms energy: -318.046754 where: bonds (distance) C4'-P energy: -59.941 bonds (distance) P-C4' energy: -64.422 flat angles C4'-P-C4' energy: -69.993 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: -74.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -815.170573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.170573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.170573 (E_RNA) where: Base-Base interactions energy: -518.429 where: short stacking energy: -253.640 Base-Backbone interact. energy: -0.613 local terms energy: -296.128384 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -56.937 flat angles C4'-P-C4' energy: -66.463 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -71.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -827.492113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.492113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.492113 (E_RNA) where: Base-Base interactions energy: -539.524 where: short stacking energy: -245.054 Base-Backbone interact. energy: -1.565 local terms energy: -286.403439 where: bonds (distance) C4'-P energy: -66.517 bonds (distance) P-C4' energy: -59.526 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: -54.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -505.589491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.589491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.589491 (E_RNA) where: Base-Base interactions energy: -269.038 where: short stacking energy: -143.195 Base-Backbone interact. energy: -0.699 local terms energy: -235.852937 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -70.384 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -29.518 tors. eta vs tors. theta energy: -12.631 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: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -479.621284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.621284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.621284 (E_RNA) where: Base-Base interactions energy: -274.511 where: short stacking energy: -150.028 Base-Backbone interact. energy: -1.887 local terms energy: -203.223013 where: bonds (distance) C4'-P energy: -44.307 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -51.768 flat angles P-C4'-P energy: -28.703 tors. eta vs tors. theta energy: -14.882 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: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -339.304719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.304719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.304719 (E_RNA) where: Base-Base interactions energy: -147.202 where: short stacking energy: -106.429 Base-Backbone interact. energy: -1.238 local terms energy: -190.865326 where: bonds (distance) C4'-P energy: -55.723 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -41.461 flat angles P-C4'-P energy: -25.192 tors. eta vs tors. theta energy: -4.588 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: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -298.155767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.155767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.155767 (E_RNA) where: Base-Base interactions energy: -102.276 where: short stacking energy: -99.191 Base-Backbone interact. energy: -1.022 local terms energy: -194.857122 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -73.916 flat angles C4'-P-C4' energy: -40.306 flat angles P-C4'-P energy: -26.204 tors. eta vs tors. theta energy: 1.863 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: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1084.371023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.371023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.371023 (E_RNA) where: Base-Base interactions energy: -705.177 where: short stacking energy: -329.007 Base-Backbone interact. energy: -2.185 local terms energy: -377.008845 where: bonds (distance) C4'-P energy: -68.470 bonds (distance) P-C4' energy: -72.297 flat angles C4'-P-C4' energy: -85.388 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -99.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1066.680481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.680481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.680481 (E_RNA) where: Base-Base interactions energy: -718.131 where: short stacking energy: -308.977 Base-Backbone interact. energy: -1.793 local terms energy: -346.756379 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -65.972 flat angles C4'-P-C4' energy: -75.519 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -89.034 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: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -952.144410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.144410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.144410 (E_RNA) where: Base-Base interactions energy: -624.791 where: short stacking energy: -269.577 Base-Backbone interact. energy: -0.159 local terms energy: -327.194341 where: bonds (distance) C4'-P energy: -67.036 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -73.194 flat angles P-C4'-P energy: -46.866 tors. eta vs tors. theta energy: -79.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -887.826034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.826034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.826034 (E_RNA) where: Base-Base interactions energy: -585.547 where: short stacking energy: -279.309 Base-Backbone interact. energy: -2.822 local terms energy: -299.456626 where: bonds (distance) C4'-P energy: -48.732 bonds (distance) P-C4' energy: -64.316 flat angles C4'-P-C4' energy: -70.111 flat angles P-C4'-P energy: -41.511 tors. eta vs tors. theta energy: -74.786 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: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -781.885984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.885984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.885984 (E_RNA) where: Base-Base interactions energy: -499.595 where: short stacking energy: -250.251 Base-Backbone interact. energy: 0.619 local terms energy: -282.910070 where: bonds (distance) C4'-P energy: -65.438 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -62.844 flat angles P-C4'-P energy: -36.278 tors. eta vs tors. theta energy: -54.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -804.998641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.998641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.998641 (E_RNA) where: Base-Base interactions energy: -511.992 where: short stacking energy: -250.199 Base-Backbone interact. energy: 0.333 local terms energy: -293.340304 where: bonds (distance) C4'-P energy: -61.942 bonds (distance) P-C4' energy: -61.438 flat angles C4'-P-C4' energy: -59.096 flat angles P-C4'-P energy: -50.199 tors. eta vs tors. theta energy: -60.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -526.285607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.285607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.285607 (E_RNA) where: Base-Base interactions energy: -281.234 where: short stacking energy: -156.331 Base-Backbone interact. energy: -0.527 local terms energy: -244.525090 where: bonds (distance) C4'-P energy: -67.306 bonds (distance) P-C4' energy: -58.734 flat angles C4'-P-C4' energy: -50.275 flat angles P-C4'-P energy: -41.553 tors. eta vs tors. theta energy: -26.656 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: 97 Temperature: 1.250000 Total energy: -487.982168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.982168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.982168 (E_RNA) where: Base-Base interactions energy: -252.716 where: short stacking energy: -132.783 Base-Backbone interact. energy: -0.914 local terms energy: -234.352244 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -56.048 flat angles P-C4'-P energy: -31.433 tors. eta vs tors. theta energy: -18.811 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: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -344.157665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.157665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.157665 (E_RNA) where: Base-Base interactions energy: -153.023 where: short stacking energy: -101.915 Base-Backbone interact. energy: -0.063 local terms energy: -191.071760 where: bonds (distance) C4'-P energy: -55.473 bonds (distance) P-C4' energy: -70.058 flat angles C4'-P-C4' energy: -52.252 flat angles P-C4'-P energy: -24.302 tors. eta vs tors. theta energy: 11.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -291.609872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.609872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.609872 (E_RNA) where: Base-Base interactions energy: -92.728 where: short stacking energy: -80.449 Base-Backbone interact. energy: 2.522 local terms energy: -201.403940 where: bonds (distance) C4'-P energy: -51.873 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -53.107 flat angles P-C4'-P energy: -30.589 tors. eta vs tors. theta energy: 3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1078.687661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.687661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.687661 (E_RNA) where: Base-Base interactions energy: -713.594 where: short stacking energy: -322.020 Base-Backbone interact. energy: -2.580 local terms energy: -362.513524 where: bonds (distance) C4'-P energy: -70.972 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -79.648 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -92.733 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: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1064.763432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.763432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.763432 (E_RNA) where: Base-Base interactions energy: -716.047 where: short stacking energy: -332.783 Base-Backbone interact. energy: -1.406 local terms energy: -347.309850 where: bonds (distance) C4'-P energy: -57.734 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -70.344 flat angles P-C4'-P energy: -41.404 tors. eta vs tors. theta energy: -104.217 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: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1004.692232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.692232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.692232 (E_RNA) where: Base-Base interactions energy: -668.467 where: short stacking energy: -323.917 Base-Backbone interact. energy: -1.931 local terms energy: -334.293779 where: bonds (distance) C4'-P energy: -66.617 bonds (distance) P-C4' energy: -69.750 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -47.234 tors. eta vs tors. theta energy: -88.302 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: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -905.976869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.976869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.976869 (E_RNA) where: Base-Base interactions energy: -581.658 where: short stacking energy: -280.249 Base-Backbone interact. energy: 0.768 local terms energy: -325.087553 where: bonds (distance) C4'-P energy: -64.830 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -71.394 flat angles P-C4'-P energy: -42.981 tors. eta vs tors. theta energy: -84.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -834.134814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.134814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.134814 (E_RNA) where: Base-Base interactions energy: -546.816 where: short stacking energy: -221.996 Base-Backbone interact. energy: -0.711 local terms energy: -286.607421 where: bonds (distance) C4'-P energy: -65.583 bonds (distance) P-C4' energy: -62.305 flat angles C4'-P-C4' energy: -59.109 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -57.312 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: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -749.585524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.585524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.585524 (E_RNA) where: Base-Base interactions energy: -508.758 where: short stacking energy: -225.274 Base-Backbone interact. energy: 1.101 local terms energy: -241.928661 where: bonds (distance) C4'-P energy: -55.750 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -25.667 tors. eta vs tors. theta energy: -40.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -535.996009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.996009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.996009 (E_RNA) where: Base-Base interactions energy: -268.885 where: short stacking energy: -169.883 Base-Backbone interact. energy: -0.889 local terms energy: -266.222154 where: bonds (distance) C4'-P energy: -57.368 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -65.285 flat angles P-C4'-P energy: -39.397 tors. eta vs tors. theta energy: -44.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -500.183070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.183070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.183070 (E_RNA) where: Base-Base interactions energy: -286.967 where: short stacking energy: -154.364 Base-Backbone interact. energy: 0.508 local terms energy: -213.723742 where: bonds (distance) C4'-P energy: -55.120 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -51.521 flat angles P-C4'-P energy: -27.347 tors. eta vs tors. theta energy: -10.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -332.913743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.913743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.913743 (E_RNA) where: Base-Base interactions energy: -130.976 where: short stacking energy: -97.168 Base-Backbone interact. energy: -2.088 local terms energy: -199.850038 where: bonds (distance) C4'-P energy: -47.750 bonds (distance) P-C4' energy: -59.305 flat angles C4'-P-C4' energy: -55.456 flat angles P-C4'-P energy: -43.742 tors. eta vs tors. theta energy: 6.403 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: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -268.664225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.664225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.664225 (E_RNA) where: Base-Base interactions energy: -113.193 where: short stacking energy: -106.725 Base-Backbone interact. energy: 0.193 local terms energy: -155.664934 where: bonds (distance) C4'-P energy: -52.446 bonds (distance) P-C4' energy: -48.686 flat angles C4'-P-C4' energy: -36.595 flat angles P-C4'-P energy: -15.378 tors. eta vs tors. theta energy: -2.559 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: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1088.060621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.060621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.060621 (E_RNA) where: Base-Base interactions energy: -732.583 where: short stacking energy: -309.726 Base-Backbone interact. energy: -2.189 local terms energy: -353.288398 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -69.295 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -50.250 tors. eta vs tors. theta energy: -95.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1102.961082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.961082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.961082 (E_RNA) where: Base-Base interactions energy: -728.847 where: short stacking energy: -330.558 Base-Backbone interact. energy: -2.941 local terms energy: -371.173281 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -76.346 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -108.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1008.479229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.479229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.479229 (E_RNA) where: Base-Base interactions energy: -652.605 where: short stacking energy: -302.976 Base-Backbone interact. energy: 0.925 local terms energy: -356.798451 where: bonds (distance) C4'-P energy: -65.864 bonds (distance) P-C4' energy: -74.478 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -45.669 tors. eta vs tors. theta energy: -93.418 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: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -892.812078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.812078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.812078 (E_RNA) where: Base-Base interactions energy: -582.083 where: short stacking energy: -297.715 Base-Backbone interact. energy: -0.779 local terms energy: -309.949174 where: bonds (distance) C4'-P energy: -53.185 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -74.231 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: -78.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -850.855547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.855547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.855547 (E_RNA) where: Base-Base interactions energy: -566.163 where: short stacking energy: -258.460 Base-Backbone interact. energy: -2.845 local terms energy: -281.847987 where: bonds (distance) C4'-P energy: -54.552 bonds (distance) P-C4' energy: -64.941 flat angles C4'-P-C4' energy: -63.433 flat angles P-C4'-P energy: -32.841 tors. eta vs tors. theta energy: -66.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -750.052485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.052485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.052485 (E_RNA) where: Base-Base interactions energy: -469.597 where: short stacking energy: -207.078 Base-Backbone interact. energy: -0.877 local terms energy: -279.577865 where: bonds (distance) C4'-P energy: -59.895 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -36.500 tors. eta vs tors. theta energy: -57.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -523.174962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.174962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.174962 (E_RNA) where: Base-Base interactions energy: -281.886 where: short stacking energy: -174.189 Base-Backbone interact. energy: 0.216 local terms energy: -241.504779 where: bonds (distance) C4'-P energy: -63.445 bonds (distance) P-C4' energy: -56.928 flat angles C4'-P-C4' energy: -60.113 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -23.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -491.433766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.433766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.433766 (E_RNA) where: Base-Base interactions energy: -262.264 where: short stacking energy: -125.278 Base-Backbone interact. energy: 0.416 local terms energy: -229.585388 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -64.488 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -30.261 tors. eta vs tors. theta energy: -12.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -326.187725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.187725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.187725 (E_RNA) where: Base-Base interactions energy: -123.579 where: short stacking energy: -87.782 Base-Backbone interact. energy: 2.994 local terms energy: -205.602945 where: bonds (distance) C4'-P energy: -54.980 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -47.544 flat angles P-C4'-P energy: -35.471 tors. eta vs tors. theta energy: 1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -287.545201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.545201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.545201 (E_RNA) where: Base-Base interactions energy: -122.114 where: short stacking energy: -85.854 Base-Backbone interact. energy: 0.193 local terms energy: -165.624522 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -56.359 flat angles C4'-P-C4' energy: -40.224 flat angles P-C4'-P energy: -10.444 tors. eta vs tors. theta energy: 2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1105.580699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.580699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.580699 (E_RNA) where: Base-Base interactions energy: -733.804 where: short stacking energy: -339.083 Base-Backbone interact. energy: -1.732 local terms energy: -370.045029 where: bonds (distance) C4'-P energy: -67.121 bonds (distance) P-C4' energy: -66.624 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -54.656 tors. eta vs tors. theta energy: -106.095 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: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1103.078352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.078352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.078352 (E_RNA) where: Base-Base interactions energy: -757.196 where: short stacking energy: -326.106 Base-Backbone interact. energy: -1.964 local terms energy: -343.917674 where: bonds (distance) C4'-P energy: -62.692 bonds (distance) P-C4' energy: -62.711 flat angles C4'-P-C4' energy: -79.866 flat angles P-C4'-P energy: -46.276 tors. eta vs tors. theta energy: -92.372 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: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1023.239868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.239868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.239868 (E_RNA) where: Base-Base interactions energy: -665.242 where: short stacking energy: -323.834 Base-Backbone interact. energy: -1.830 local terms energy: -356.168567 where: bonds (distance) C4'-P energy: -70.708 bonds (distance) P-C4' energy: -66.180 flat angles C4'-P-C4' energy: -68.621 flat angles P-C4'-P energy: -52.695 tors. eta vs tors. theta energy: -97.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -910.832457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.832457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.832457 (E_RNA) where: Base-Base interactions energy: -595.690 where: short stacking energy: -290.691 Base-Backbone interact. energy: 1.008 local terms energy: -316.151311 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -66.436 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -42.611 tors. eta vs tors. theta energy: -77.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -853.871149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.871149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.871149 (E_RNA) where: Base-Base interactions energy: -561.468 where: short stacking energy: -247.532 Base-Backbone interact. energy: -1.597 local terms energy: -290.805610 where: bonds (distance) C4'-P energy: -66.654 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -74.308 flat angles P-C4'-P energy: -32.741 tors. eta vs tors. theta energy: -51.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -711.251916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.251916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.251916 (E_RNA) where: Base-Base interactions energy: -443.703 where: short stacking energy: -194.036 Base-Backbone interact. energy: -1.612 local terms energy: -265.936732 where: bonds (distance) C4'-P energy: -65.372 bonds (distance) P-C4' energy: -55.320 flat angles C4'-P-C4' energy: -73.976 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: -32.203 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: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -525.042312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.042312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.042312 (E_RNA) where: Base-Base interactions energy: -275.723 where: short stacking energy: -147.810 Base-Backbone interact. energy: -2.292 local terms energy: -247.026905 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -69.475 flat angles C4'-P-C4' energy: -54.088 flat angles P-C4'-P energy: -44.084 tors. eta vs tors. theta energy: -15.130 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: 100 Temperature: 1.250000 Total energy: -465.205427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.205427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.205427 (E_RNA) where: Base-Base interactions energy: -220.914 where: short stacking energy: -122.175 Base-Backbone interact. energy: 0.965 local terms energy: -245.256483 where: bonds (distance) C4'-P energy: -51.223 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -57.641 flat angles P-C4'-P energy: -49.387 tors. eta vs tors. theta energy: -18.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -301.693019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.693019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.693019 (E_RNA) where: Base-Base interactions energy: -117.288 where: short stacking energy: -100.605 Base-Backbone interact. energy: 0.292 local terms energy: -184.697739 where: bonds (distance) C4'-P energy: -47.661 bonds (distance) P-C4' energy: -62.544 flat angles C4'-P-C4' energy: -44.332 flat angles P-C4'-P energy: -35.660 tors. eta vs tors. theta energy: 5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -305.321045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.321045 (E_RNA) where: Base-Base interactions energy: -112.679 where: short stacking energy: -100.807 Base-Backbone interact. energy: -0.436 local terms energy: -192.206036 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -55.851 flat angles C4'-P-C4' energy: -59.700 flat angles P-C4'-P energy: -16.457 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1102.516843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.516843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.516843 (E_RNA) where: Base-Base interactions energy: -722.494 where: short stacking energy: -332.038 Base-Backbone interact. energy: -1.463 local terms energy: -378.559395 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -82.591 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -106.693 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: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1090.527586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.527586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.527586 (E_RNA) where: Base-Base interactions energy: -751.023 where: short stacking energy: -302.458 Base-Backbone interact. energy: -1.128 local terms energy: -338.376296 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -66.321 flat angles C4'-P-C4' energy: -72.562 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -87.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1017.387285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.387285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.387285 (E_RNA) where: Base-Base interactions energy: -682.933 where: short stacking energy: -323.430 Base-Backbone interact. energy: -0.786 local terms energy: -333.668324 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -67.109 flat angles C4'-P-C4' energy: -68.796 flat angles P-C4'-P energy: -44.015 tors. eta vs tors. theta energy: -93.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -876.975089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.975089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.975089 (E_RNA) where: Base-Base interactions energy: -560.580 where: short stacking energy: -267.425 Base-Backbone interact. energy: 1.786 local terms energy: -318.181536 where: bonds (distance) C4'-P energy: -66.386 bonds (distance) P-C4' energy: -70.135 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -71.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -834.311718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.311718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.311718 (E_RNA) where: Base-Base interactions energy: -536.076 where: short stacking energy: -257.332 Base-Backbone interact. energy: 3.037 local terms energy: -301.272488 where: bonds (distance) C4'-P energy: -66.347 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -58.005 flat angles P-C4'-P energy: -37.041 tors. eta vs tors. theta energy: -71.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -739.763477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.763477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.763477 (E_RNA) where: Base-Base interactions energy: -455.885 where: short stacking energy: -203.426 Base-Backbone interact. energy: -0.321 local terms energy: -283.557472 where: bonds (distance) C4'-P energy: -58.816 bonds (distance) P-C4' energy: -61.514 flat angles C4'-P-C4' energy: -56.767 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -56.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -536.175012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.175012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.175012 (E_RNA) where: Base-Base interactions energy: -310.932 where: short stacking energy: -160.652 Base-Backbone interact. energy: -2.737 local terms energy: -222.505167 where: bonds (distance) C4'-P energy: -58.118 bonds (distance) P-C4' energy: -46.383 flat angles C4'-P-C4' energy: -52.127 flat angles P-C4'-P energy: -36.008 tors. eta vs tors. theta energy: -29.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -484.784168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.784168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.784168 (E_RNA) where: Base-Base interactions energy: -250.266 where: short stacking energy: -155.883 Base-Backbone interact. energy: -0.058 local terms energy: -234.459410 where: bonds (distance) C4'-P energy: -55.317 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -53.917 flat angles P-C4'-P energy: -32.885 tors. eta vs tors. theta energy: -26.154 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: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -310.034881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.034881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.034881 (E_RNA) where: Base-Base interactions energy: -120.894 where: short stacking energy: -94.434 Base-Backbone interact. energy: 4.725 local terms energy: -193.865478 where: bonds (distance) C4'-P energy: -62.022 bonds (distance) P-C4' energy: -63.193 flat angles C4'-P-C4' energy: -47.855 flat angles P-C4'-P energy: -30.061 tors. eta vs tors. theta energy: 9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -285.312327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.312327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.312327 (E_RNA) where: Base-Base interactions energy: -93.162 where: short stacking energy: -87.655 Base-Backbone interact. energy: -1.212 local terms energy: -190.937637 where: bonds (distance) C4'-P energy: -54.479 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -54.354 flat angles P-C4'-P energy: -28.153 tors. eta vs tors. theta energy: 0.725 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1093.482893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.482893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.482893 (E_RNA) where: Base-Base interactions energy: -724.792 where: short stacking energy: -338.067 Base-Backbone interact. energy: -1.969 local terms energy: -366.721415 where: bonds (distance) C4'-P energy: -71.506 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -77.476 flat angles P-C4'-P energy: -49.869 tors. eta vs tors. theta energy: -97.538 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: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1057.738273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.738273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.738273 (E_RNA) where: Base-Base interactions energy: -721.305 where: short stacking energy: -305.927 Base-Backbone interact. energy: -1.238 local terms energy: -335.195251 where: bonds (distance) C4'-P energy: -62.893 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -80.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1010.824468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.824468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.824468 (E_RNA) where: Base-Base interactions energy: -671.764 where: short stacking energy: -328.527 Base-Backbone interact. energy: -0.514 local terms energy: -338.547298 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -61.927 flat angles C4'-P-C4' energy: -73.658 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -872.650370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.650370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.650370 (E_RNA) where: Base-Base interactions energy: -559.805 where: short stacking energy: -274.318 Base-Backbone interact. energy: 0.731 local terms energy: -313.576420 where: bonds (distance) C4'-P energy: -59.148 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: -81.486 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: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -836.346649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.346649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.346649 (E_RNA) where: Base-Base interactions energy: -534.675 where: short stacking energy: -231.109 Base-Backbone interact. energy: -0.712 local terms energy: -300.959872 where: bonds (distance) C4'-P energy: -66.167 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -62.939 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -58.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -722.553937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.553937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.553937 (E_RNA) where: Base-Base interactions energy: -454.797 where: short stacking energy: -207.606 Base-Backbone interact. energy: -0.566 local terms energy: -267.191110 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -59.632 flat angles C4'-P-C4' energy: -66.088 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -41.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -552.732488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.732488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.732488 (E_RNA) where: Base-Base interactions energy: -301.650 where: short stacking energy: -163.082 Base-Backbone interact. energy: -1.196 local terms energy: -249.885669 where: bonds (distance) C4'-P energy: -61.395 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -53.936 flat angles P-C4'-P energy: -37.303 tors. eta vs tors. theta energy: -29.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -441.333677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.333677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.333677 (E_RNA) where: Base-Base interactions energy: -217.116 where: short stacking energy: -121.247 Base-Backbone interact. energy: -1.834 local terms energy: -222.384513 where: bonds (distance) C4'-P energy: -49.542 bonds (distance) P-C4' energy: -72.021 flat angles C4'-P-C4' energy: -62.667 flat angles P-C4'-P energy: -33.239 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -306.459517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.459517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.459517 (E_RNA) where: Base-Base interactions energy: -119.987 where: short stacking energy: -66.879 Base-Backbone interact. energy: -1.644 local terms energy: -184.828531 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -62.025 flat angles C4'-P-C4' energy: -43.943 flat angles P-C4'-P energy: -36.707 tors. eta vs tors. theta energy: 15.800 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: 3 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -282.565057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.565057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.565057 (E_RNA) where: Base-Base interactions energy: -96.545 where: short stacking energy: -91.752 Base-Backbone interact. energy: 2.932 local terms energy: -188.951795 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -57.262 flat angles C4'-P-C4' energy: -64.791 flat angles P-C4'-P energy: -15.354 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1092.098574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.098574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.098574 (E_RNA) where: Base-Base interactions energy: -728.011 where: short stacking energy: -345.136 Base-Backbone interact. energy: -2.963 local terms energy: -361.124565 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -68.651 flat angles C4'-P-C4' energy: -68.148 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: -108.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1044.932567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.932567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.932567 (E_RNA) where: Base-Base interactions energy: -687.409 where: short stacking energy: -283.723 Base-Backbone interact. energy: 0.999 local terms energy: -358.523220 where: bonds (distance) C4'-P energy: -75.365 bonds (distance) P-C4' energy: -68.453 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -54.287 tors. eta vs tors. theta energy: -88.291 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: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1025.915110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.915110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.915110 (E_RNA) where: Base-Base interactions energy: -679.687 where: short stacking energy: -308.306 Base-Backbone interact. energy: -2.998 local terms energy: -343.230389 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -73.511 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -90.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -920.408359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.408359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.408359 (E_RNA) where: Base-Base interactions energy: -582.610 where: short stacking energy: -258.360 Base-Backbone interact. energy: -0.604 local terms energy: -337.194493 where: bonds (distance) C4'-P energy: -68.505 bonds (distance) P-C4' energy: -66.393 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -56.152 tors. eta vs tors. theta energy: -75.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -861.350883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.350883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.350883 (E_RNA) where: Base-Base interactions energy: -539.456 where: short stacking energy: -247.087 Base-Backbone interact. energy: -2.137 local terms energy: -319.758069 where: bonds (distance) C4'-P energy: -56.912 bonds (distance) P-C4' energy: -68.313 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -54.567 tors. eta vs tors. theta energy: -68.142 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: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -748.455425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.455425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.455425 (E_RNA) where: Base-Base interactions energy: -455.382 where: short stacking energy: -223.831 Base-Backbone interact. energy: 2.835 local terms energy: -295.908256 where: bonds (distance) C4'-P energy: -51.237 bonds (distance) P-C4' energy: -73.109 flat angles C4'-P-C4' energy: -70.071 flat angles P-C4'-P energy: -42.757 tors. eta vs tors. theta energy: -58.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -577.203233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.203233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.203233 (E_RNA) where: Base-Base interactions energy: -331.810 where: short stacking energy: -161.507 Base-Backbone interact. energy: 1.095 local terms energy: -246.488086 where: bonds (distance) C4'-P energy: -52.962 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -37.740 tors. eta vs tors. theta energy: -31.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -456.561493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.561493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.561493 (E_RNA) where: Base-Base interactions energy: -228.789 where: short stacking energy: -139.499 Base-Backbone interact. energy: 2.921 local terms energy: -230.692986 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -60.682 flat angles C4'-P-C4' energy: -53.692 flat angles P-C4'-P energy: -38.573 tors. eta vs tors. theta energy: -17.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -381.045963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.045963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.045963 (E_RNA) where: Base-Base interactions energy: -168.837 where: short stacking energy: -106.205 Base-Backbone interact. energy: -0.188 local terms energy: -212.020706 where: bonds (distance) C4'-P energy: -53.434 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -48.366 flat angles P-C4'-P energy: -33.170 tors. eta vs tors. theta energy: -6.841 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: 3 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -329.697432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.697432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.697432 (E_RNA) where: Base-Base interactions energy: -147.766 where: short stacking energy: -86.547 Base-Backbone interact. energy: -1.183 local terms energy: -180.748128 where: bonds (distance) C4'-P energy: -56.812 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -39.040 flat angles P-C4'-P energy: -32.864 tors. eta vs tors. theta energy: 12.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1078.710526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.710526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.710526 (E_RNA) where: Base-Base interactions energy: -719.041 where: short stacking energy: -319.044 Base-Backbone interact. energy: -2.452 local terms energy: -357.217477 where: bonds (distance) C4'-P energy: -75.422 bonds (distance) P-C4' energy: -74.046 flat angles C4'-P-C4' energy: -78.746 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -76.179 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: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1095.783524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.783524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.783524 (E_RNA) where: Base-Base interactions energy: -714.457 where: short stacking energy: -328.534 Base-Backbone interact. energy: -2.368 local terms energy: -378.958729 where: bonds (distance) C4'-P energy: -69.577 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -77.192 flat angles P-C4'-P energy: -47.712 tors. eta vs tors. theta energy: -109.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1017.600329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.600329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.600329 (E_RNA) where: Base-Base interactions energy: -682.847 where: short stacking energy: -305.480 Base-Backbone interact. energy: -2.325 local terms energy: -332.428073 where: bonds (distance) C4'-P energy: -62.219 bonds (distance) P-C4' energy: -56.316 flat angles C4'-P-C4' energy: -73.994 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -90.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -919.159955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.159955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.159955 (E_RNA) where: Base-Base interactions energy: -577.014 where: short stacking energy: -278.917 Base-Backbone interact. energy: -1.507 local terms energy: -340.638766 where: bonds (distance) C4'-P energy: -59.123 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -79.147 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -77.768 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: 5, replica: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -859.058678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.058678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.058678 (E_RNA) where: Base-Base interactions energy: -558.341 where: short stacking energy: -260.339 Base-Backbone interact. energy: -3.348 local terms energy: -297.370322 where: bonds (distance) C4'-P energy: -50.343 bonds (distance) P-C4' energy: -70.155 flat angles C4'-P-C4' energy: -69.884 flat angles P-C4'-P energy: -33.672 tors. eta vs tors. theta energy: -73.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -691.411296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.411296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.411296 (E_RNA) where: Base-Base interactions energy: -417.811 where: short stacking energy: -200.521 Base-Backbone interact. energy: -1.407 local terms energy: -272.193751 where: bonds (distance) C4'-P energy: -64.049 bonds (distance) P-C4' energy: -66.058 flat angles C4'-P-C4' energy: -57.824 flat angles P-C4'-P energy: -44.350 tors. eta vs tors. theta energy: -39.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -553.126240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.126240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.126240 (E_RNA) where: Base-Base interactions energy: -305.471 where: short stacking energy: -155.533 Base-Backbone interact. energy: -0.726 local terms energy: -246.929329 where: bonds (distance) C4'-P energy: -49.799 bonds (distance) P-C4' energy: -60.144 flat angles C4'-P-C4' energy: -63.976 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -26.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -457.495291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.495291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.495291 (E_RNA) where: Base-Base interactions energy: -244.869 where: short stacking energy: -140.355 Base-Backbone interact. energy: -0.894 local terms energy: -211.733114 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -58.088 flat angles C4'-P-C4' energy: -43.324 flat angles P-C4'-P energy: -35.936 tors. eta vs tors. theta energy: -15.659 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: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -381.085238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.085238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.085238 (E_RNA) where: Base-Base interactions energy: -180.958 where: short stacking energy: -103.086 Base-Backbone interact. energy: 6.813 local terms energy: -206.939709 where: bonds (distance) C4'-P energy: -66.451 bonds (distance) P-C4' energy: -64.691 flat angles C4'-P-C4' energy: -54.292 flat angles P-C4'-P energy: -22.734 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -301.518025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.518025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.518025 (E_RNA) where: Base-Base interactions energy: -106.864 where: short stacking energy: -87.239 Base-Backbone interact. energy: -2.301 local terms energy: -192.353051 where: bonds (distance) C4'-P energy: -60.748 bonds (distance) P-C4' energy: -55.486 flat angles C4'-P-C4' energy: -50.088 flat angles P-C4'-P energy: -26.256 tors. eta vs tors. theta energy: 0.225 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: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1103.802624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.802624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.802624 (E_RNA) where: Base-Base interactions energy: -758.257 where: short stacking energy: -331.067 Base-Backbone interact. energy: -1.630 local terms energy: -343.914884 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -63.696 flat angles C4'-P-C4' energy: -72.888 flat angles P-C4'-P energy: -50.232 tors. eta vs tors. theta energy: -84.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1050.051135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.051135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.051135 (E_RNA) where: Base-Base interactions energy: -695.915 where: short stacking energy: -317.150 Base-Backbone interact. energy: -0.999 local terms energy: -353.137218 where: bonds (distance) C4'-P energy: -63.779 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -77.689 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -85.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1048.075523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.075523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.075523 (E_RNA) where: Base-Base interactions energy: -690.421 where: short stacking energy: -316.967 Base-Backbone interact. energy: -0.326 local terms energy: -357.328548 where: bonds (distance) C4'-P energy: -55.898 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -43.994 tors. eta vs tors. theta energy: -101.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -934.117253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.117253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.117253 (E_RNA) where: Base-Base interactions energy: -618.476 where: short stacking energy: -292.566 Base-Backbone interact. energy: -1.961 local terms energy: -313.680087 where: bonds (distance) C4'-P energy: -50.085 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -75.130 flat angles P-C4'-P energy: -35.185 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: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -835.319077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.319077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.319077 (E_RNA) where: Base-Base interactions energy: -545.218 where: short stacking energy: -234.560 Base-Backbone interact. energy: -1.270 local terms energy: -288.830913 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -65.469 flat angles C4'-P-C4' energy: -70.136 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -46.314 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: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -717.805028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.805028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.805028 (E_RNA) where: Base-Base interactions energy: -456.624 where: short stacking energy: -226.131 Base-Backbone interact. energy: 6.023 local terms energy: -267.204511 where: bonds (distance) C4'-P energy: -49.697 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -64.929 flat angles P-C4'-P energy: -33.095 tors. eta vs tors. theta energy: -49.145 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: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -597.671576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.671576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.671576 (E_RNA) where: Base-Base interactions energy: -341.493 where: short stacking energy: -172.707 Base-Backbone interact. energy: 0.863 local terms energy: -257.041109 where: bonds (distance) C4'-P energy: -59.629 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -55.417 flat angles P-C4'-P energy: -43.044 tors. eta vs tors. theta energy: -33.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -452.493648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.493648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.493648 (E_RNA) where: Base-Base interactions energy: -224.750 where: short stacking energy: -134.998 Base-Backbone interact. energy: 1.171 local terms energy: -228.914495 where: bonds (distance) C4'-P energy: -47.693 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -60.098 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -14.042 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: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -402.865532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.865532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.865532 (E_RNA) where: Base-Base interactions energy: -199.849 where: short stacking energy: -116.229 Base-Backbone interact. energy: -0.725 local terms energy: -202.291691 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -52.004 flat angles C4'-P-C4' energy: -64.888 flat angles P-C4'-P energy: -35.576 tors. eta vs tors. theta energy: 1.541 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: 3 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -266.250235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.250235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.250235 (E_RNA) where: Base-Base interactions energy: -94.291 where: short stacking energy: -90.845 Base-Backbone interact. energy: -0.138 local terms energy: -171.821284 where: bonds (distance) C4'-P energy: -56.578 bonds (distance) P-C4' energy: -57.321 flat angles C4'-P-C4' energy: -30.918 flat angles P-C4'-P energy: -34.209 tors. eta vs tors. theta energy: 7.204 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: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1109.895996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.895996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.895996 (E_RNA) where: Base-Base interactions energy: -769.897 where: short stacking energy: -316.203 Base-Backbone interact. energy: 2.661 local terms energy: -342.659975 where: bonds (distance) C4'-P energy: -60.929 bonds (distance) P-C4' energy: -72.111 flat angles C4'-P-C4' energy: -76.043 flat angles P-C4'-P energy: -46.189 tors. eta vs tors. theta energy: -87.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1081.199340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.199340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.199340 (E_RNA) where: Base-Base interactions energy: -716.811 where: short stacking energy: -320.593 Base-Backbone interact. energy: 0.788 local terms energy: -365.175498 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -76.427 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -47.437 tors. eta vs tors. theta energy: -100.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1059.541902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.541902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.541902 (E_RNA) where: Base-Base interactions energy: -709.318 where: short stacking energy: -329.101 Base-Backbone interact. energy: -2.400 local terms energy: -347.824066 where: bonds (distance) C4'-P energy: -57.624 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -107.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -944.863381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.863381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.863381 (E_RNA) where: Base-Base interactions energy: -607.583 where: short stacking energy: -292.806 Base-Backbone interact. energy: 1.991 local terms energy: -339.271549 where: bonds (distance) C4'-P energy: -68.354 bonds (distance) P-C4' energy: -66.158 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -89.920 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: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -850.540236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.540236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.540236 (E_RNA) where: Base-Base interactions energy: -565.665 where: short stacking energy: -246.379 Base-Backbone interact. energy: -1.206 local terms energy: -283.669130 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -35.102 tors. eta vs tors. theta energy: -59.333 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: 106 Temperature: 1.150000 Total energy: -739.292955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.292955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.292955 (E_RNA) where: Base-Base interactions energy: -432.944 where: short stacking energy: -221.785 Base-Backbone interact. energy: -1.982 local terms energy: -304.366026 where: bonds (distance) C4'-P energy: -60.478 bonds (distance) P-C4' energy: -72.658 flat angles C4'-P-C4' energy: -67.568 flat angles P-C4'-P energy: -43.712 tors. eta vs tors. theta energy: -59.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -559.025694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.025694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.025694 (E_RNA) where: Base-Base interactions energy: -318.835 where: short stacking energy: -156.835 Base-Backbone interact. energy: -0.705 local terms energy: -239.485861 where: bonds (distance) C4'-P energy: -60.743 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -59.009 flat angles P-C4'-P energy: -20.688 tors. eta vs tors. theta energy: -32.351 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: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -485.956596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.956596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.956596 (E_RNA) where: Base-Base interactions energy: -262.501 where: short stacking energy: -143.024 Base-Backbone interact. energy: -0.168 local terms energy: -223.287435 where: bonds (distance) C4'-P energy: -62.771 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -57.000 flat angles P-C4'-P energy: -24.822 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -296.680143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.680143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.680143 (E_RNA) where: Base-Base interactions energy: -120.816 where: short stacking energy: -92.485 Base-Backbone interact. energy: -0.110 local terms energy: -175.754466 where: bonds (distance) C4'-P energy: -43.333 bonds (distance) P-C4' energy: -63.909 flat angles C4'-P-C4' energy: -42.850 flat angles P-C4'-P energy: -28.943 tors. eta vs tors. theta energy: 3.281 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: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -325.127466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.127466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.127466 (E_RNA) where: Base-Base interactions energy: -135.574 where: short stacking energy: -92.457 Base-Backbone interact. energy: -0.595 local terms energy: -188.958726 where: bonds (distance) C4'-P energy: -49.603 bonds (distance) P-C4' energy: -68.757 flat angles C4'-P-C4' energy: -36.799 flat angles P-C4'-P energy: -32.631 tors. eta vs tors. theta energy: -1.169 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: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1119.917891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.917891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.917891 (E_RNA) where: Base-Base interactions energy: -770.783 where: short stacking energy: -317.034 Base-Backbone interact. energy: 1.753 local terms energy: -350.888475 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -72.357 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -47.384 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: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1081.984572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.984572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.984572 (E_RNA) where: Base-Base interactions energy: -718.765 where: short stacking energy: -328.290 Base-Backbone interact. energy: -2.259 local terms energy: -360.960569 where: bonds (distance) C4'-P energy: -63.654 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -84.200 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -99.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1053.109793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.109793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.109793 (E_RNA) where: Base-Base interactions energy: -688.778 where: short stacking energy: -340.029 Base-Backbone interact. energy: -1.649 local terms energy: -362.683026 where: bonds (distance) C4'-P energy: -59.400 bonds (distance) P-C4' energy: -74.516 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -94.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -949.976293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.976293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.976293 (E_RNA) where: Base-Base interactions energy: -649.541 where: short stacking energy: -300.736 Base-Backbone interact. energy: 0.013 local terms energy: -300.447935 where: bonds (distance) C4'-P energy: -51.106 bonds (distance) P-C4' energy: -51.032 flat angles C4'-P-C4' energy: -66.040 flat angles P-C4'-P energy: -52.296 tors. eta vs tors. theta energy: -79.974 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: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -874.445628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.445628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.445628 (E_RNA) where: Base-Base interactions energy: -575.627 where: short stacking energy: -281.018 Base-Backbone interact. energy: -3.420 local terms energy: -295.398702 where: bonds (distance) C4'-P energy: -49.926 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -62.901 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -65.060 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: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -721.054442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.054442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.054442 (E_RNA) where: Base-Base interactions energy: -445.554 where: short stacking energy: -231.113 Base-Backbone interact. energy: 4.738 local terms energy: -280.238935 where: bonds (distance) C4'-P energy: -58.265 bonds (distance) P-C4' energy: -65.511 flat angles C4'-P-C4' energy: -61.582 flat angles P-C4'-P energy: -40.868 tors. eta vs tors. theta energy: -54.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -522.037897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.037897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.037897 (E_RNA) where: Base-Base interactions energy: -280.863 where: short stacking energy: -157.758 Base-Backbone interact. energy: -1.249 local terms energy: -239.926409 where: bonds (distance) C4'-P energy: -53.933 bonds (distance) P-C4' energy: -55.471 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -33.339 tors. eta vs tors. theta energy: -27.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -471.272356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.272356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.272356 (E_RNA) where: Base-Base interactions energy: -278.961 where: short stacking energy: -160.837 Base-Backbone interact. energy: 1.830 local terms energy: -194.141429 where: bonds (distance) C4'-P energy: -55.751 bonds (distance) P-C4' energy: -50.071 flat angles C4'-P-C4' energy: -54.398 flat angles P-C4'-P energy: -22.475 tors. eta vs tors. theta energy: -11.446 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: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -317.702690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.702690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.702690 (E_RNA) where: Base-Base interactions energy: -101.370 where: short stacking energy: -103.181 Base-Backbone interact. energy: -0.172 local terms energy: -216.160621 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -64.762 flat angles C4'-P-C4' energy: -58.341 flat angles P-C4'-P energy: -30.878 tors. eta vs tors. theta energy: -1.376 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: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -298.143346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.143346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.143346 (E_RNA) where: Base-Base interactions energy: -123.314 where: short stacking energy: -83.180 Base-Backbone interact. energy: 0.703 local terms energy: -175.532736 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -56.518 flat angles C4'-P-C4' energy: -44.804 flat angles P-C4'-P energy: -21.948 tors. eta vs tors. theta energy: 5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1117.226596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.226596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.226596 (E_RNA) where: Base-Base interactions energy: -776.457 where: short stacking energy: -321.289 Base-Backbone interact. energy: -2.111 local terms energy: -338.657946 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -67.248 flat angles C4'-P-C4' energy: -67.140 flat angles P-C4'-P energy: -52.984 tors. eta vs tors. theta energy: -83.792 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: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1074.418071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.418071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.418071 (E_RNA) where: Base-Base interactions energy: -707.683 where: short stacking energy: -330.483 Base-Backbone interact. energy: -3.495 local terms energy: -363.240344 where: bonds (distance) C4'-P energy: -71.856 bonds (distance) P-C4' energy: -67.837 flat angles C4'-P-C4' energy: -78.398 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: -99.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1031.894081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.894081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.894081 (E_RNA) where: Base-Base interactions energy: -687.525 where: short stacking energy: -320.604 Base-Backbone interact. energy: -1.199 local terms energy: -343.170847 where: bonds (distance) C4'-P energy: -61.433 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -68.070 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -93.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -952.673269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.673269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.673269 (E_RNA) where: Base-Base interactions energy: -619.146 where: short stacking energy: -288.913 Base-Backbone interact. energy: -0.459 local terms energy: -333.068390 where: bonds (distance) C4'-P energy: -65.537 bonds (distance) P-C4' energy: -57.023 flat angles C4'-P-C4' energy: -76.221 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: -83.858 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: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -835.893818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.893818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.893818 (E_RNA) where: Base-Base interactions energy: -542.933 where: short stacking energy: -254.424 Base-Backbone interact. energy: -2.524 local terms energy: -290.436657 where: bonds (distance) C4'-P energy: -56.769 bonds (distance) P-C4' energy: -68.899 flat angles C4'-P-C4' energy: -61.685 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -59.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -707.918955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.918955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.918955 (E_RNA) where: Base-Base interactions energy: -443.131 where: short stacking energy: -209.514 Base-Backbone interact. energy: -1.951 local terms energy: -262.836775 where: bonds (distance) C4'-P energy: -59.023 bonds (distance) P-C4' energy: -69.207 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -33.929 tors. eta vs tors. theta energy: -39.793 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: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -558.677331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.677331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.677331 (E_RNA) where: Base-Base interactions energy: -319.135 where: short stacking energy: -185.421 Base-Backbone interact. energy: -0.598 local terms energy: -238.944803 where: bonds (distance) C4'-P energy: -62.694 bonds (distance) P-C4' energy: -60.196 flat angles C4'-P-C4' energy: -51.939 flat angles P-C4'-P energy: -27.124 tors. eta vs tors. theta energy: -36.991 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: 108 Temperature: 1.250000 Total energy: -448.530278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.530278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.530278 (E_RNA) where: Base-Base interactions energy: -215.570 where: short stacking energy: -125.177 Base-Backbone interact. energy: -0.890 local terms energy: -232.071084 where: bonds (distance) C4'-P energy: -65.707 bonds (distance) P-C4' energy: -67.826 flat angles C4'-P-C4' energy: -47.794 flat angles P-C4'-P energy: -37.015 tors. eta vs tors. theta energy: -13.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -340.118400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.118400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.118400 (E_RNA) where: Base-Base interactions energy: -142.978 where: short stacking energy: -114.903 Base-Backbone interact. energy: -0.823 local terms energy: -196.317416 where: bonds (distance) C4'-P energy: -51.465 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -51.451 flat angles P-C4'-P energy: -14.023 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -291.427313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.427313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.427313 (E_RNA) where: Base-Base interactions energy: -92.470 where: short stacking energy: -87.866 Base-Backbone interact. energy: -2.005 local terms energy: -196.952825 where: bonds (distance) C4'-P energy: -65.018 bonds (distance) P-C4' energy: -51.644 flat angles C4'-P-C4' energy: -43.574 flat angles P-C4'-P energy: -37.679 tors. eta vs tors. theta energy: 0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1108.116096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.116096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.116096 (E_RNA) where: Base-Base interactions energy: -762.352 where: short stacking energy: -308.713 Base-Backbone interact. energy: -1.833 local terms energy: -343.931660 where: bonds (distance) C4'-P energy: -69.670 bonds (distance) P-C4' energy: -71.822 flat angles C4'-P-C4' energy: -71.572 flat angles P-C4'-P energy: -54.185 tors. eta vs tors. theta energy: -76.683 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: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1093.095124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.095124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.095124 (E_RNA) where: Base-Base interactions energy: -728.812 where: short stacking energy: -320.338 Base-Backbone interact. energy: -2.823 local terms energy: -361.459446 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -75.739 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -49.433 tors. eta vs tors. theta energy: -98.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1024.049355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.049355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.049355 (E_RNA) where: Base-Base interactions energy: -680.566 where: short stacking energy: -308.659 Base-Backbone interact. energy: -0.360 local terms energy: -343.123190 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -67.255 flat angles C4'-P-C4' energy: -76.503 flat angles P-C4'-P energy: -42.257 tors. eta vs tors. theta energy: -92.078 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: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -916.796003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.796003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.796003 (E_RNA) where: Base-Base interactions energy: -588.048 where: short stacking energy: -298.684 Base-Backbone interact. energy: -0.660 local terms energy: -328.088187 where: bonds (distance) C4'-P energy: -63.773 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -71.799 flat angles P-C4'-P energy: -46.254 tors. eta vs tors. theta energy: -77.163 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: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -861.046177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.046177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.046177 (E_RNA) where: Base-Base interactions energy: -565.286 where: short stacking energy: -250.977 Base-Backbone interact. energy: -2.421 local terms energy: -293.339163 where: bonds (distance) C4'-P energy: -54.939 bonds (distance) P-C4' energy: -62.784 flat angles C4'-P-C4' energy: -72.137 flat angles P-C4'-P energy: -40.258 tors. eta vs tors. theta energy: -63.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -714.663959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.663959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.663959 (E_RNA) where: Base-Base interactions energy: -451.066 where: short stacking energy: -197.398 Base-Backbone interact. energy: 0.228 local terms energy: -263.825703 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -66.854 flat angles C4'-P-C4' energy: -46.287 flat angles P-C4'-P energy: -40.962 tors. eta vs tors. theta energy: -43.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -566.218690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.218690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.218690 (E_RNA) where: Base-Base interactions energy: -344.018 where: short stacking energy: -158.875 Base-Backbone interact. energy: -3.758 local terms energy: -218.443672 where: bonds (distance) C4'-P energy: -46.235 bonds (distance) P-C4' energy: -59.482 flat angles C4'-P-C4' energy: -55.578 flat angles P-C4'-P energy: -35.652 tors. eta vs tors. theta energy: -21.497 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -351.209911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.209911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.209911 (E_RNA) where: Base-Base interactions energy: -127.261 where: short stacking energy: -105.003 Base-Backbone interact. energy: 0.671 local terms energy: -224.620105 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -69.133 flat angles C4'-P-C4' energy: -54.031 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -462.171276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.171276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.171276 (E_RNA) where: Base-Base interactions energy: -248.397 where: short stacking energy: -141.602 Base-Backbone interact. energy: -0.264 local terms energy: -213.509526 where: bonds (distance) C4'-P energy: -53.444 bonds (distance) P-C4' energy: -59.506 flat angles C4'-P-C4' energy: -49.993 flat angles P-C4'-P energy: -27.222 tors. eta vs tors. theta energy: -23.345 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: 10, replica: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -285.661285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.661285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.661285 (E_RNA) where: Base-Base interactions energy: -106.018 where: short stacking energy: -83.189 Base-Backbone interact. energy: -0.426 local terms energy: -179.216823 where: bonds (distance) C4'-P energy: -59.952 bonds (distance) P-C4' energy: -62.020 flat angles C4'-P-C4' energy: -39.313 flat angles P-C4'-P energy: -22.525 tors. eta vs tors. theta energy: 4.593 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: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1132.128115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.128115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.128115 (E_RNA) where: Base-Base interactions energy: -795.702 where: short stacking energy: -329.567 Base-Backbone interact. energy: -3.746 local terms energy: -332.679883 where: bonds (distance) C4'-P energy: -65.324 bonds (distance) P-C4' energy: -75.087 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -42.155 tors. eta vs tors. theta energy: -81.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1072.185018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.185018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.185018 (E_RNA) where: Base-Base interactions energy: -714.540 where: short stacking energy: -318.829 Base-Backbone interact. energy: -4.416 local terms energy: -353.228339 where: bonds (distance) C4'-P energy: -52.805 bonds (distance) P-C4' energy: -75.800 flat angles C4'-P-C4' energy: -72.686 flat angles P-C4'-P energy: -50.394 tors. eta vs tors. theta energy: -101.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1032.890812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.890812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.890812 (E_RNA) where: Base-Base interactions energy: -682.481 where: short stacking energy: -319.452 Base-Backbone interact. energy: -0.090 local terms energy: -350.319287 where: bonds (distance) C4'-P energy: -48.482 bonds (distance) P-C4' energy: -76.666 flat angles C4'-P-C4' energy: -79.715 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -99.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -937.580571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.580571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.580571 (E_RNA) where: Base-Base interactions energy: -607.045 where: short stacking energy: -292.305 Base-Backbone interact. energy: -0.485 local terms energy: -330.050072 where: bonds (distance) C4'-P energy: -64.687 bonds (distance) P-C4' energy: -61.623 flat angles C4'-P-C4' energy: -79.631 flat angles P-C4'-P energy: -37.793 tors. eta vs tors. theta energy: -86.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -865.947176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.947176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.947176 (E_RNA) where: Base-Base interactions energy: -569.419 where: short stacking energy: -251.742 Base-Backbone interact. energy: -2.375 local terms energy: -294.152648 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -64.338 flat angles C4'-P-C4' energy: -59.459 flat angles P-C4'-P energy: -41.213 tors. eta vs tors. theta energy: -64.213 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: 110 Temperature: 1.150000 Total energy: -710.751582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.751582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.751582 (E_RNA) where: Base-Base interactions energy: -441.878 where: short stacking energy: -211.288 Base-Backbone interact. energy: 0.284 local terms energy: -269.157548 where: bonds (distance) C4'-P energy: -60.232 bonds (distance) P-C4' energy: -58.183 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -36.597 tors. eta vs tors. theta energy: -43.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -623.345432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.345432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.345432 (E_RNA) where: Base-Base interactions energy: -366.148 where: short stacking energy: -173.664 Base-Backbone interact. energy: -0.056 local terms energy: -257.141653 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -66.617 flat angles C4'-P-C4' energy: -59.793 flat angles P-C4'-P energy: -37.120 tors. eta vs tors. theta energy: -24.848 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -349.887269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.887269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.887269 (E_RNA) where: Base-Base interactions energy: -146.347 where: short stacking energy: -117.277 Base-Backbone interact. energy: 5.006 local terms energy: -208.546617 where: bonds (distance) C4'-P energy: -55.532 bonds (distance) P-C4' energy: -57.296 flat angles C4'-P-C4' energy: -57.727 flat angles P-C4'-P energy: -28.493 tors. eta vs tors. theta energy: -9.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -476.997222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.997222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.997222 (E_RNA) where: Base-Base interactions energy: -254.249 where: short stacking energy: -149.887 Base-Backbone interact. energy: -1.773 local terms energy: -220.974978 where: bonds (distance) C4'-P energy: -59.204 bonds (distance) P-C4' energy: -67.868 flat angles C4'-P-C4' energy: -39.714 flat angles P-C4'-P energy: -30.298 tors. eta vs tors. theta energy: -23.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -289.146890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.146890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.146890 (E_RNA) where: Base-Base interactions energy: -91.089 where: short stacking energy: -63.251 Base-Backbone interact. energy: -0.640 local terms energy: -197.418584 where: bonds (distance) C4'-P energy: -49.100 bonds (distance) P-C4' energy: -61.455 flat angles C4'-P-C4' energy: -53.366 flat angles P-C4'-P energy: -39.393 tors. eta vs tors. theta energy: 5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1121.353899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.353899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.353899 (E_RNA) where: Base-Base interactions energy: -789.487 where: short stacking energy: -320.841 Base-Backbone interact. energy: -0.564 local terms energy: -331.302816 where: bonds (distance) C4'-P energy: -70.055 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -67.822 flat angles P-C4'-P energy: -46.221 tors. eta vs tors. theta energy: -85.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1064.136882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.136882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.136882 (E_RNA) where: Base-Base interactions energy: -711.134 where: short stacking energy: -319.328 Base-Backbone interact. energy: -2.112 local terms energy: -350.891444 where: bonds (distance) C4'-P energy: -72.506 bonds (distance) P-C4' energy: -64.298 flat angles C4'-P-C4' energy: -63.978 flat angles P-C4'-P energy: -50.564 tors. eta vs tors. theta energy: -99.546 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: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1043.776451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.776451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.776451 (E_RNA) where: Base-Base interactions energy: -692.073 where: short stacking energy: -333.969 Base-Backbone interact. energy: 0.977 local terms energy: -352.680295 where: bonds (distance) C4'-P energy: -66.666 bonds (distance) P-C4' energy: -70.275 flat angles C4'-P-C4' energy: -76.807 flat angles P-C4'-P energy: -44.470 tors. eta vs tors. theta energy: -94.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -893.191273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.191273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.191273 (E_RNA) where: Base-Base interactions energy: -576.220 where: short stacking energy: -254.905 Base-Backbone interact. energy: -0.015 local terms energy: -316.956565 where: bonds (distance) C4'-P energy: -68.191 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -65.433 flat angles P-C4'-P energy: -45.248 tors. eta vs tors. theta energy: -68.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -882.880188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.880188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.880188 (E_RNA) where: Base-Base interactions energy: -560.192 where: short stacking energy: -256.629 Base-Backbone interact. energy: 0.613 local terms energy: -323.301925 where: bonds (distance) C4'-P energy: -61.760 bonds (distance) P-C4' energy: -65.024 flat angles C4'-P-C4' energy: -69.954 flat angles P-C4'-P energy: -41.519 tors. eta vs tors. theta energy: -85.045 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: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -730.987495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.987495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.987495 (E_RNA) where: Base-Base interactions energy: -444.023 where: short stacking energy: -218.972 Base-Backbone interact. energy: 2.038 local terms energy: -289.002014 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -71.684 flat angles C4'-P-C4' energy: -65.024 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -54.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -636.946425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.946425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.946425 (E_RNA) where: Base-Base interactions energy: -395.840 where: short stacking energy: -179.291 Base-Backbone interact. energy: 1.414 local terms energy: -242.520185 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -65.123 flat angles C4'-P-C4' energy: -61.729 flat angles P-C4'-P energy: -34.996 tors. eta vs tors. theta energy: -31.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -404.192829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.192829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.192829 (E_RNA) where: Base-Base interactions energy: -194.398 where: short stacking energy: -102.523 Base-Backbone interact. energy: -0.994 local terms energy: -208.801693 where: bonds (distance) C4'-P energy: -53.093 bonds (distance) P-C4' energy: -56.343 flat angles C4'-P-C4' energy: -61.097 flat angles P-C4'-P energy: -35.768 tors. eta vs tors. theta energy: -2.499 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: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -337.605035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.605035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.605035 (E_RNA) where: Base-Base interactions energy: -173.319 where: short stacking energy: -95.471 Base-Backbone interact. energy: -2.518 local terms energy: -161.768144 where: bonds (distance) C4'-P energy: -40.387 bonds (distance) P-C4' energy: -58.386 flat angles C4'-P-C4' energy: -55.421 flat angles P-C4'-P energy: -29.725 tors. eta vs tors. theta energy: 22.150 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: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -283.508938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.508938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.508938 (E_RNA) where: Base-Base interactions energy: -91.680 where: short stacking energy: -75.595 Base-Backbone interact. energy: -0.790 local terms energy: -191.039049 where: bonds (distance) C4'-P energy: -56.075 bonds (distance) P-C4' energy: -60.290 flat angles C4'-P-C4' energy: -42.914 flat angles P-C4'-P energy: -36.203 tors. eta vs tors. theta energy: 4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1113.146065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.146065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.146065 (E_RNA) where: Base-Base interactions energy: -776.332 where: short stacking energy: -314.310 Base-Backbone interact. energy: -3.920 local terms energy: -332.894689 where: bonds (distance) C4'-P energy: -66.747 bonds (distance) P-C4' energy: -62.703 flat angles C4'-P-C4' energy: -69.751 flat angles P-C4'-P energy: -43.524 tors. eta vs tors. theta energy: -90.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1080.972901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.972901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.972901 (E_RNA) where: Base-Base interactions energy: -712.121 where: short stacking energy: -315.186 Base-Backbone interact. energy: -4.429 local terms energy: -364.423198 where: bonds (distance) C4'-P energy: -69.175 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -77.273 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -100.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1029.702428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.702428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.702428 (E_RNA) where: Base-Base interactions energy: -690.157 where: short stacking energy: -303.045 Base-Backbone interact. energy: 0.859 local terms energy: -340.404330 where: bonds (distance) C4'-P energy: -66.206 bonds (distance) P-C4' energy: -59.604 flat angles C4'-P-C4' energy: -74.061 flat angles P-C4'-P energy: -56.916 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: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -889.871535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.871535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.871535 (E_RNA) where: Base-Base interactions energy: -587.805 where: short stacking energy: -276.315 Base-Backbone interact. energy: 2.338 local terms energy: -304.404433 where: bonds (distance) C4'-P energy: -49.606 bonds (distance) P-C4' energy: -62.450 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -44.090 tors. eta vs tors. theta energy: -72.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -913.339852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.339852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.339852 (E_RNA) where: Base-Base interactions energy: -607.560 where: short stacking energy: -244.544 Base-Backbone interact. energy: -2.182 local terms energy: -303.597827 where: bonds (distance) C4'-P energy: -61.342 bonds (distance) P-C4' energy: -71.113 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -45.854 tors. eta vs tors. theta energy: -57.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -711.346330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.346330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.346330 (E_RNA) where: Base-Base interactions energy: -464.050 where: short stacking energy: -215.689 Base-Backbone interact. energy: -0.144 local terms energy: -247.152487 where: bonds (distance) C4'-P energy: -51.212 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -58.100 flat angles P-C4'-P energy: -23.490 tors. eta vs tors. theta energy: -52.846 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: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -653.442492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.442492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.442492 (E_RNA) where: Base-Base interactions energy: -404.308 where: short stacking energy: -199.905 Base-Backbone interact. energy: -0.747 local terms energy: -248.387949 where: bonds (distance) C4'-P energy: -51.511 bonds (distance) P-C4' energy: -67.942 flat angles C4'-P-C4' energy: -53.351 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -31.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -445.641819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.641819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.641819 (E_RNA) where: Base-Base interactions energy: -220.483 where: short stacking energy: -137.570 Base-Backbone interact. energy: -0.491 local terms energy: -224.667578 where: bonds (distance) C4'-P energy: -56.321 bonds (distance) P-C4' energy: -62.890 flat angles C4'-P-C4' energy: -64.714 flat angles P-C4'-P energy: -31.848 tors. eta vs tors. theta energy: -8.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -330.860500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.860500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.860500 (E_RNA) where: Base-Base interactions energy: -136.580 where: short stacking energy: -99.646 Base-Backbone interact. energy: -0.457 local terms energy: -193.823379 where: bonds (distance) C4'-P energy: -64.261 bonds (distance) P-C4' energy: -53.515 flat angles C4'-P-C4' energy: -46.657 flat angles P-C4'-P energy: -28.542 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -297.244284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.244284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.244284 (E_RNA) where: Base-Base interactions energy: -123.257 where: short stacking energy: -74.509 Base-Backbone interact. energy: 1.643 local terms energy: -175.629749 where: bonds (distance) C4'-P energy: -52.652 bonds (distance) P-C4' energy: -50.834 flat angles C4'-P-C4' energy: -49.572 flat angles P-C4'-P energy: -30.407 tors. eta vs tors. theta energy: 7.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1128.950142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.950142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.950142 (E_RNA) where: Base-Base interactions energy: -783.964 where: short stacking energy: -337.558 Base-Backbone interact. energy: -0.215 local terms energy: -344.770477 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -75.598 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -88.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1060.694727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.694727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.694727 (E_RNA) where: Base-Base interactions energy: -710.430 where: short stacking energy: -324.443 Base-Backbone interact. energy: -1.847 local terms energy: -348.418147 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -104.104 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: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1033.255710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.255710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.255710 (E_RNA) where: Base-Base interactions energy: -673.263 where: short stacking energy: -313.094 Base-Backbone interact. energy: -0.628 local terms energy: -359.364504 where: bonds (distance) C4'-P energy: -64.400 bonds (distance) P-C4' energy: -68.857 flat angles C4'-P-C4' energy: -77.237 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -92.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -896.552287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.552287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.552287 (E_RNA) where: Base-Base interactions energy: -581.944 where: short stacking energy: -260.472 Base-Backbone interact. energy: -1.080 local terms energy: -313.528207 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -65.466 flat angles C4'-P-C4' energy: -65.658 flat angles P-C4'-P energy: -48.436 tors. eta vs tors. theta energy: -70.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -838.742588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.742588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.742588 (E_RNA) where: Base-Base interactions energy: -549.325 where: short stacking energy: -258.219 Base-Backbone interact. energy: 1.536 local terms energy: -290.953806 where: bonds (distance) C4'-P energy: -54.820 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -64.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -729.094306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.094306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.094306 (E_RNA) where: Base-Base interactions energy: -454.751 where: short stacking energy: -226.912 Base-Backbone interact. energy: -1.803 local terms energy: -272.539863 where: bonds (distance) C4'-P energy: -57.366 bonds (distance) P-C4' energy: -69.216 flat angles C4'-P-C4' energy: -57.257 flat angles P-C4'-P energy: -34.737 tors. eta vs tors. theta energy: -53.964 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: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -632.384407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.384407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.384407 (E_RNA) where: Base-Base interactions energy: -370.912 where: short stacking energy: -216.250 Base-Backbone interact. energy: -1.796 local terms energy: -259.676295 where: bonds (distance) C4'-P energy: -62.150 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -21.953 tors. eta vs tors. theta energy: -44.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -439.546996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.546996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.546996 (E_RNA) where: Base-Base interactions energy: -212.944 where: short stacking energy: -123.657 Base-Backbone interact. energy: 1.355 local terms energy: -227.958741 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -54.527 flat angles C4'-P-C4' energy: -55.840 flat angles P-C4'-P energy: -33.772 tors. eta vs tors. theta energy: -12.664 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: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -313.725804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.725804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.725804 (E_RNA) where: Base-Base interactions energy: -134.171 where: short stacking energy: -81.699 Base-Backbone interact. energy: 3.227 local terms energy: -182.781741 where: bonds (distance) C4'-P energy: -53.185 bonds (distance) P-C4' energy: -42.869 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -35.082 tors. eta vs tors. theta energy: 14.221 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: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -314.534383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.534383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.534383 (E_RNA) where: Base-Base interactions energy: -101.504 where: short stacking energy: -92.383 Base-Backbone interact. energy: -0.144 local terms energy: -212.887094 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -68.995 flat angles C4'-P-C4' energy: -56.892 flat angles P-C4'-P energy: -27.419 tors. eta vs tors. theta energy: 2.010 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: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1135.847258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.847258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.847258 (E_RNA) where: Base-Base interactions energy: -775.035 where: short stacking energy: -345.082 Base-Backbone interact. energy: -0.053 local terms energy: -360.759725 where: bonds (distance) C4'-P energy: -72.440 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -80.593 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -93.550 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: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1067.703140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.703140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.703140 (E_RNA) where: Base-Base interactions energy: -699.448 where: short stacking energy: -322.343 Base-Backbone interact. energy: -2.286 local terms energy: -365.969448 where: bonds (distance) C4'-P energy: -73.552 bonds (distance) P-C4' energy: -69.036 flat angles C4'-P-C4' energy: -70.592 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -99.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1005.561074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.561074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.561074 (E_RNA) where: Base-Base interactions energy: -664.912 where: short stacking energy: -309.440 Base-Backbone interact. energy: -1.444 local terms energy: -339.204562 where: bonds (distance) C4'-P energy: -64.591 bonds (distance) P-C4' energy: -61.536 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: -84.621 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: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -924.652125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.652125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.652125 (E_RNA) where: Base-Base interactions energy: -604.582 where: short stacking energy: -272.135 Base-Backbone interact. energy: -1.395 local terms energy: -318.675588 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -69.322 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -41.056 tors. eta vs tors. theta energy: -75.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -837.822407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.822407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.822407 (E_RNA) where: Base-Base interactions energy: -541.700 where: short stacking energy: -250.810 Base-Backbone interact. energy: -2.228 local terms energy: -293.894612 where: bonds (distance) C4'-P energy: -55.041 bonds (distance) P-C4' energy: -58.889 flat angles C4'-P-C4' energy: -68.750 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -74.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -680.578330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.578330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.578330 (E_RNA) where: Base-Base interactions energy: -402.162 where: short stacking energy: -195.843 Base-Backbone interact. energy: 1.749 local terms energy: -280.165825 where: bonds (distance) C4'-P energy: -73.656 bonds (distance) P-C4' energy: -64.691 flat angles C4'-P-C4' energy: -63.027 flat angles P-C4'-P energy: -37.554 tors. eta vs tors. theta energy: -41.238 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: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -629.647432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.647432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.647432 (E_RNA) where: Base-Base interactions energy: -382.729 where: short stacking energy: -188.368 Base-Backbone interact. energy: -0.874 local terms energy: -246.044150 where: bonds (distance) C4'-P energy: -53.892 bonds (distance) P-C4' energy: -59.871 flat angles C4'-P-C4' energy: -61.756 flat angles P-C4'-P energy: -30.633 tors. eta vs tors. theta energy: -39.892 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: 114 Temperature: 1.250000 Total energy: -440.307369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.307369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.307369 (E_RNA) where: Base-Base interactions energy: -209.039 where: short stacking energy: -116.565 Base-Backbone interact. energy: 0.652 local terms energy: -231.920132 where: bonds (distance) C4'-P energy: -56.151 bonds (distance) P-C4' energy: -64.009 flat angles C4'-P-C4' energy: -60.850 flat angles P-C4'-P energy: -36.818 tors. eta vs tors. theta energy: -14.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -345.399391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.399391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.399391 (E_RNA) where: Base-Base interactions energy: -136.631 where: short stacking energy: -93.310 Base-Backbone interact. energy: 2.028 local terms energy: -210.796052 where: bonds (distance) C4'-P energy: -60.902 bonds (distance) P-C4' energy: -66.007 flat angles C4'-P-C4' energy: -53.141 flat angles P-C4'-P energy: -31.192 tors. eta vs tors. theta energy: 0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -276.081697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.081697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.081697 (E_RNA) where: Base-Base interactions energy: -124.191 where: short stacking energy: -98.536 Base-Backbone interact. energy: -1.748 local terms energy: -150.142949 where: bonds (distance) C4'-P energy: -35.097 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -50.013 flat angles P-C4'-P energy: -18.889 tors. eta vs tors. theta energy: 7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1137.086024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.086024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.086024 (E_RNA) where: Base-Base interactions energy: -770.744 where: short stacking energy: -338.299 Base-Backbone interact. energy: -3.283 local terms energy: -363.058663 where: bonds (distance) C4'-P energy: -70.312 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -73.449 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: -89.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1078.044030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.044030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.044030 (E_RNA) where: Base-Base interactions energy: -710.459 where: short stacking energy: -326.456 Base-Backbone interact. energy: -2.533 local terms energy: -365.052680 where: bonds (distance) C4'-P energy: -66.254 bonds (distance) P-C4' energy: -67.494 flat angles C4'-P-C4' energy: -70.951 flat angles P-C4'-P energy: -54.926 tors. eta vs tors. theta energy: -105.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1014.086207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.086207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.086207 (E_RNA) where: Base-Base interactions energy: -652.218 where: short stacking energy: -301.460 Base-Backbone interact. energy: 0.007 local terms energy: -361.875150 where: bonds (distance) C4'-P energy: -68.033 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -75.466 flat angles P-C4'-P energy: -53.421 tors. eta vs tors. theta energy: -93.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -904.353996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.353996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.353996 (E_RNA) where: Base-Base interactions energy: -595.243 where: short stacking energy: -257.983 Base-Backbone interact. energy: -2.714 local terms energy: -306.397273 where: bonds (distance) C4'-P energy: -62.163 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -68.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -795.005244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.005244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.005244 (E_RNA) where: Base-Base interactions energy: -532.088 where: short stacking energy: -228.681 Base-Backbone interact. energy: -0.743 local terms energy: -262.173879 where: bonds (distance) C4'-P energy: -55.088 bonds (distance) P-C4' energy: -56.070 flat angles C4'-P-C4' energy: -68.102 flat angles P-C4'-P energy: -36.901 tors. eta vs tors. theta energy: -46.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -716.836774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.836774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.836774 (E_RNA) where: Base-Base interactions energy: -435.964 where: short stacking energy: -211.225 Base-Backbone interact. energy: -1.795 local terms energy: -279.077971 where: bonds (distance) C4'-P energy: -65.428 bonds (distance) P-C4' energy: -46.125 flat angles C4'-P-C4' energy: -63.762 flat angles P-C4'-P energy: -44.426 tors. eta vs tors. theta energy: -59.337 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: 115 Temperature: 1.200000 Total energy: -739.977955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.977955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.977955 (E_RNA) where: Base-Base interactions energy: -452.428 where: short stacking energy: -201.737 Base-Backbone interact. energy: -1.283 local terms energy: -286.267538 where: bonds (distance) C4'-P energy: -63.503 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -67.921 flat angles P-C4'-P energy: -42.486 tors. eta vs tors. theta energy: -45.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -430.780865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.780865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.780865 (E_RNA) where: Base-Base interactions energy: -216.218 where: short stacking energy: -122.326 Base-Backbone interact. energy: -0.020 local terms energy: -214.541895 where: bonds (distance) C4'-P energy: -65.830 bonds (distance) P-C4' energy: -55.127 flat angles C4'-P-C4' energy: -52.713 flat angles P-C4'-P energy: -24.676 tors. eta vs tors. theta energy: -16.196 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: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -310.906823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.906823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.906823 (E_RNA) where: Base-Base interactions energy: -124.951 where: short stacking energy: -87.294 Base-Backbone interact. energy: -0.184 local terms energy: -185.771439 where: bonds (distance) C4'-P energy: -51.462 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -43.646 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: 6.527 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: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -320.917290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.917290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.917290 (E_RNA) where: Base-Base interactions energy: -133.329 where: short stacking energy: -90.278 Base-Backbone interact. energy: 2.880 local terms energy: -190.468557 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -55.492 flat angles C4'-P-C4' energy: -38.960 flat angles P-C4'-P energy: -38.834 tors. eta vs tors. theta energy: 1.219 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: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1149.511233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.511233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.511233 (E_RNA) where: Base-Base interactions energy: -784.890 where: short stacking energy: -344.120 Base-Backbone interact. energy: -1.804 local terms energy: -362.817668 where: bonds (distance) C4'-P energy: -67.885 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -84.515 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -92.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1071.296547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.296547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.296547 (E_RNA) where: Base-Base interactions energy: -707.692 where: short stacking energy: -320.828 Base-Backbone interact. energy: -1.551 local terms energy: -362.053875 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -67.809 flat angles C4'-P-C4' energy: -79.198 flat angles P-C4'-P energy: -53.069 tors. eta vs tors. theta energy: -102.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1039.121516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.121516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.121516 (E_RNA) where: Base-Base interactions energy: -669.888 where: short stacking energy: -298.373 Base-Backbone interact. energy: 3.033 local terms energy: -372.266827 where: bonds (distance) C4'-P energy: -74.003 bonds (distance) P-C4' energy: -65.795 flat angles C4'-P-C4' energy: -81.729 flat angles P-C4'-P energy: -53.681 tors. eta vs tors. theta energy: -97.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -925.261080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.261080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.261080 (E_RNA) where: Base-Base interactions energy: -625.770 where: short stacking energy: -277.886 Base-Backbone interact. energy: -2.002 local terms energy: -297.488858 where: bonds (distance) C4'-P energy: -62.781 bonds (distance) P-C4' energy: -49.449 flat angles C4'-P-C4' energy: -76.127 flat angles P-C4'-P energy: -37.903 tors. eta vs tors. theta energy: -71.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -841.461837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.461837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.461837 (E_RNA) where: Base-Base interactions energy: -556.418 where: short stacking energy: -229.284 Base-Backbone interact. energy: 3.052 local terms energy: -288.095761 where: bonds (distance) C4'-P energy: -57.360 bonds (distance) P-C4' energy: -61.910 flat angles C4'-P-C4' energy: -57.914 flat angles P-C4'-P energy: -44.910 tors. eta vs tors. theta energy: -66.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -742.075062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.075062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.075062 (E_RNA) where: Base-Base interactions energy: -473.629 where: short stacking energy: -222.365 Base-Backbone interact. energy: -1.979 local terms energy: -266.467088 where: bonds (distance) C4'-P energy: -43.293 bonds (distance) P-C4' energy: -67.906 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -41.782 tors. eta vs tors. theta energy: -48.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -687.159992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.159992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.159992 (E_RNA) where: Base-Base interactions energy: -433.753 where: short stacking energy: -209.034 Base-Backbone interact. energy: -1.060 local terms energy: -252.347571 where: bonds (distance) C4'-P energy: -50.931 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -58.868 flat angles P-C4'-P energy: -31.436 tors. eta vs tors. theta energy: -51.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -519.458348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.458348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.458348 (E_RNA) where: Base-Base interactions energy: -304.071 where: short stacking energy: -139.633 Base-Backbone interact. energy: 4.549 local terms energy: -219.936579 where: bonds (distance) C4'-P energy: -50.755 bonds (distance) P-C4' energy: -54.247 flat angles C4'-P-C4' energy: -47.879 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -25.446 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: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -306.625273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.625273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.625273 (E_RNA) where: Base-Base interactions energy: -112.254 where: short stacking energy: -102.314 Base-Backbone interact. energy: 0.846 local terms energy: -195.217352 where: bonds (distance) C4'-P energy: -52.329 bonds (distance) P-C4' energy: -63.461 flat angles C4'-P-C4' energy: -53.496 flat angles P-C4'-P energy: -21.975 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: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -274.579585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.579585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.579585 (E_RNA) where: Base-Base interactions energy: -89.429 where: short stacking energy: -86.130 Base-Backbone interact. energy: 3.577 local terms energy: -188.727846 where: bonds (distance) C4'-P energy: -49.057 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -52.027 flat angles P-C4'-P energy: -35.837 tors. eta vs tors. theta energy: 7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1128.373298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.373298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.373298 (E_RNA) where: Base-Base interactions energy: -777.561 where: short stacking energy: -314.054 Base-Backbone interact. energy: -3.567 local terms energy: -347.245357 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -80.994 flat angles C4'-P-C4' energy: -68.360 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: -81.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1071.305682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.305682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.305682 (E_RNA) where: Base-Base interactions energy: -695.029 where: short stacking energy: -317.531 Base-Backbone interact. energy: 0.114 local terms energy: -376.390333 where: bonds (distance) C4'-P energy: -70.345 bonds (distance) P-C4' energy: -69.048 flat angles C4'-P-C4' energy: -73.963 flat angles P-C4'-P energy: -59.213 tors. eta vs tors. theta energy: -103.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1042.656025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.656025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.656025 (E_RNA) where: Base-Base interactions energy: -710.151 where: short stacking energy: -333.670 Base-Backbone interact. energy: -1.322 local terms energy: -331.183111 where: bonds (distance) C4'-P energy: -55.211 bonds (distance) P-C4' energy: -55.648 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: -97.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -902.022185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.022185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.022185 (E_RNA) where: Base-Base interactions energy: -582.402 where: short stacking energy: -251.047 Base-Backbone interact. energy: 2.240 local terms energy: -321.860883 where: bonds (distance) C4'-P energy: -75.005 bonds (distance) P-C4' energy: -72.248 flat angles C4'-P-C4' energy: -60.906 flat angles P-C4'-P energy: -50.521 tors. eta vs tors. theta energy: -63.181 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: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -855.373230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.373230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.373230 (E_RNA) where: Base-Base interactions energy: -556.711 where: short stacking energy: -253.889 Base-Backbone interact. energy: 0.914 local terms energy: -299.576362 where: bonds (distance) C4'-P energy: -51.203 bonds (distance) P-C4' energy: -70.946 flat angles C4'-P-C4' energy: -70.499 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -66.393 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: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -765.110955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.110955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.110955 (E_RNA) where: Base-Base interactions energy: -486.538 where: short stacking energy: -237.855 Base-Backbone interact. energy: 0.395 local terms energy: -278.968255 where: bonds (distance) C4'-P energy: -51.131 bonds (distance) P-C4' energy: -56.080 flat angles C4'-P-C4' energy: -67.712 flat angles P-C4'-P energy: -42.202 tors. eta vs tors. theta energy: -61.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -690.964866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.964866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.964866 (E_RNA) where: Base-Base interactions energy: -422.969 where: short stacking energy: -199.854 Base-Backbone interact. energy: -2.791 local terms energy: -265.205065 where: bonds (distance) C4'-P energy: -64.995 bonds (distance) P-C4' energy: -53.747 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: -43.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -536.371178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.371178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.371178 (E_RNA) where: Base-Base interactions energy: -303.192 where: short stacking energy: -154.496 Base-Backbone interact. energy: 0.039 local terms energy: -233.218004 where: bonds (distance) C4'-P energy: -56.078 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -64.327 flat angles P-C4'-P energy: -30.850 tors. eta vs tors. theta energy: -20.748 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: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -310.795526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.795526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.795526 (E_RNA) where: Base-Base interactions energy: -103.572 where: short stacking energy: -95.929 Base-Backbone interact. energy: 2.706 local terms energy: -209.929736 where: bonds (distance) C4'-P energy: -70.939 bonds (distance) P-C4' energy: -52.321 flat angles C4'-P-C4' energy: -53.335 flat angles P-C4'-P energy: -37.153 tors. eta vs tors. theta energy: 3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -277.401320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.401320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.401320 (E_RNA) where: Base-Base interactions energy: -83.885 where: short stacking energy: -76.789 Base-Backbone interact. energy: 1.168 local terms energy: -194.684540 where: bonds (distance) C4'-P energy: -53.450 bonds (distance) P-C4' energy: -65.539 flat angles C4'-P-C4' energy: -54.987 flat angles P-C4'-P energy: -25.909 tors. eta vs tors. theta energy: 5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1115.533539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.533539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.533539 (E_RNA) where: Base-Base interactions energy: -768.379 where: short stacking energy: -318.622 Base-Backbone interact. energy: -1.264 local terms energy: -345.890057 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -67.701 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -92.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1075.065562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.065562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.065562 (E_RNA) where: Base-Base interactions energy: -700.084 where: short stacking energy: -324.235 Base-Backbone interact. energy: -1.490 local terms energy: -373.491132 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -76.276 flat angles C4'-P-C4' energy: -73.785 flat angles P-C4'-P energy: -53.265 tors. eta vs tors. theta energy: -104.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1026.890737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.890737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.890737 (E_RNA) where: Base-Base interactions energy: -688.927 where: short stacking energy: -321.707 Base-Backbone interact. energy: -0.344 local terms energy: -337.619820 where: bonds (distance) C4'-P energy: -60.205 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -76.099 flat angles P-C4'-P energy: -41.971 tors. eta vs tors. theta energy: -90.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -859.943979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.943979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.943979 (E_RNA) where: Base-Base interactions energy: -571.671 where: short stacking energy: -249.538 Base-Backbone interact. energy: -1.423 local terms energy: -286.850224 where: bonds (distance) C4'-P energy: -54.615 bonds (distance) P-C4' energy: -57.960 flat angles C4'-P-C4' energy: -63.274 flat angles P-C4'-P energy: -45.257 tors. eta vs tors. theta energy: -65.744 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: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -891.580394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.580394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.580394 (E_RNA) where: Base-Base interactions energy: -593.046 where: short stacking energy: -254.095 Base-Backbone interact. energy: -2.015 local terms energy: -296.519591 where: bonds (distance) C4'-P energy: -65.123 bonds (distance) P-C4' energy: -53.120 flat angles C4'-P-C4' energy: -63.794 flat angles P-C4'-P energy: -44.464 tors. eta vs tors. theta energy: -70.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -749.728394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.728394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.728394 (E_RNA) where: Base-Base interactions energy: -447.727 where: short stacking energy: -236.927 Base-Backbone interact. energy: 2.344 local terms energy: -304.345400 where: bonds (distance) C4'-P energy: -64.794 bonds (distance) P-C4' energy: -62.172 flat angles C4'-P-C4' energy: -68.606 flat angles P-C4'-P energy: -53.538 tors. eta vs tors. theta energy: -55.236 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: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -722.244408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.244408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.244408 (E_RNA) where: Base-Base interactions energy: -453.691 where: short stacking energy: -206.155 Base-Backbone interact. energy: -1.564 local terms energy: -266.989555 where: bonds (distance) C4'-P energy: -48.995 bonds (distance) P-C4' energy: -53.805 flat angles C4'-P-C4' energy: -68.858 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -46.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -542.150108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.150108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.150108 (E_RNA) where: Base-Base interactions energy: -289.871 where: short stacking energy: -139.122 Base-Backbone interact. energy: 1.329 local terms energy: -253.608452 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -62.072 flat angles C4'-P-C4' energy: -57.795 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -27.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -341.707520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.707520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.707520 (E_RNA) where: Base-Base interactions energy: -121.780 where: short stacking energy: -92.491 Base-Backbone interact. energy: -0.940 local terms energy: -218.986950 where: bonds (distance) C4'-P energy: -59.422 bonds (distance) P-C4' energy: -75.334 flat angles C4'-P-C4' energy: -59.942 flat angles P-C4'-P energy: -23.821 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -291.149912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.149912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.149912 (E_RNA) where: Base-Base interactions energy: -126.015 where: short stacking energy: -85.966 Base-Backbone interact. energy: -1.259 local terms energy: -163.876428 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -56.065 flat angles C4'-P-C4' energy: -47.681 flat angles P-C4'-P energy: -22.347 tors. eta vs tors. theta energy: 19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1130.059066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.059066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.059066 (E_RNA) where: Base-Base interactions energy: -768.121 where: short stacking energy: -325.824 Base-Backbone interact. energy: -1.374 local terms energy: -360.563286 where: bonds (distance) C4'-P energy: -69.510 bonds (distance) P-C4' energy: -71.684 flat angles C4'-P-C4' energy: -74.517 flat angles P-C4'-P energy: -54.434 tors. eta vs tors. theta energy: -90.418 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: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1097.447230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.447230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.447230 (E_RNA) where: Base-Base interactions energy: -714.840 where: short stacking energy: -340.305 Base-Backbone interact. energy: -1.092 local terms energy: -381.514301 where: bonds (distance) C4'-P energy: -67.166 bonds (distance) P-C4' energy: -75.756 flat angles C4'-P-C4' energy: -79.247 flat angles P-C4'-P energy: -53.249 tors. eta vs tors. theta energy: -106.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1072.246431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.246431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.246431 (E_RNA) where: Base-Base interactions energy: -702.371 where: short stacking energy: -322.972 Base-Backbone interact. energy: -1.472 local terms energy: -368.403186 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -79.092 flat angles C4'-P-C4' energy: -73.224 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -99.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -925.060311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.060311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.060311 (E_RNA) where: Base-Base interactions energy: -613.171 where: short stacking energy: -276.307 Base-Backbone interact. energy: -1.821 local terms energy: -310.068811 where: bonds (distance) C4'-P energy: -62.737 bonds (distance) P-C4' energy: -53.696 flat angles C4'-P-C4' energy: -67.203 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -82.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -808.356331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.356331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.356331 (E_RNA) where: Base-Base interactions energy: -532.872 where: short stacking energy: -216.249 Base-Backbone interact. energy: -2.315 local terms energy: -273.168956 where: bonds (distance) C4'-P energy: -60.700 bonds (distance) P-C4' energy: -50.790 flat angles C4'-P-C4' energy: -75.160 flat angles P-C4'-P energy: -42.254 tors. eta vs tors. theta energy: -44.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -757.328106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.328106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.328106 (E_RNA) where: Base-Base interactions energy: -460.706 where: short stacking energy: -231.547 Base-Backbone interact. energy: -0.419 local terms energy: -296.203130 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -59.084 flat angles C4'-P-C4' energy: -65.127 flat angles P-C4'-P energy: -43.819 tors. eta vs tors. theta energy: -66.271 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: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -658.657174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.657174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.657174 (E_RNA) where: Base-Base interactions energy: -405.287 where: short stacking energy: -198.768 Base-Backbone interact. energy: 2.398 local terms energy: -255.768098 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -61.367 flat angles C4'-P-C4' energy: -61.486 flat angles P-C4'-P energy: -31.334 tors. eta vs tors. theta energy: -40.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -541.066875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.066875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.066875 (E_RNA) where: Base-Base interactions energy: -315.652 where: short stacking energy: -138.162 Base-Backbone interact. energy: 1.837 local terms energy: -227.251407 where: bonds (distance) C4'-P energy: -63.307 bonds (distance) P-C4' energy: -60.551 flat angles C4'-P-C4' energy: -56.161 flat angles P-C4'-P energy: -33.686 tors. eta vs tors. theta energy: -13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -326.081650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.081650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.081650 (E_RNA) where: Base-Base interactions energy: -137.776 where: short stacking energy: -102.937 Base-Backbone interact. energy: 2.377 local terms energy: -190.682610 where: bonds (distance) C4'-P energy: -43.441 bonds (distance) P-C4' energy: -54.238 flat angles C4'-P-C4' energy: -54.458 flat angles P-C4'-P energy: -40.428 tors. eta vs tors. theta energy: 1.883 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: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -278.802501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.802501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.802501 (E_RNA) where: Base-Base interactions energy: -83.760 where: short stacking energy: -63.861 Base-Backbone interact. energy: -1.224 local terms energy: -193.818491 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -69.388 flat angles C4'-P-C4' energy: -56.037 flat angles P-C4'-P energy: -38.038 tors. eta vs tors. theta energy: 26.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1108.959968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.959968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.959968 (E_RNA) where: Base-Base interactions energy: -764.701 where: short stacking energy: -314.168 Base-Backbone interact. energy: -1.301 local terms energy: -342.957927 where: bonds (distance) C4'-P energy: -68.593 bonds (distance) P-C4' energy: -73.234 flat angles C4'-P-C4' energy: -72.483 flat angles P-C4'-P energy: -43.611 tors. eta vs tors. theta energy: -85.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1063.932282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.932282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.932282 (E_RNA) where: Base-Base interactions energy: -716.318 where: short stacking energy: -330.682 Base-Backbone interact. energy: -1.383 local terms energy: -346.231222 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -73.166 flat angles C4'-P-C4' energy: -70.922 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -96.835 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: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1038.325448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.325448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.325448 (E_RNA) where: Base-Base interactions energy: -668.440 where: short stacking energy: -306.898 Base-Backbone interact. energy: -2.338 local terms energy: -367.547792 where: bonds (distance) C4'-P energy: -69.715 bonds (distance) P-C4' energy: -69.097 flat angles C4'-P-C4' energy: -74.011 flat angles P-C4'-P energy: -53.344 tors. eta vs tors. theta energy: -101.381 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: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -935.759901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.759901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.759901 (E_RNA) where: Base-Base interactions energy: -635.474 where: short stacking energy: -280.701 Base-Backbone interact. energy: 1.186 local terms energy: -301.472315 where: bonds (distance) C4'-P energy: -56.421 bonds (distance) P-C4' energy: -69.705 flat angles C4'-P-C4' energy: -68.980 flat angles P-C4'-P energy: -35.800 tors. eta vs tors. theta energy: -70.567 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: 120 Temperature: 1.100000 Total energy: -870.609301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.609301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.609301 (E_RNA) where: Base-Base interactions energy: -558.887 where: short stacking energy: -252.445 Base-Backbone interact. energy: -0.900 local terms energy: -310.821770 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -70.774 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -41.797 tors. eta vs tors. theta energy: -67.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -725.636929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.636929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.636929 (E_RNA) where: Base-Base interactions energy: -456.053 where: short stacking energy: -220.028 Base-Backbone interact. energy: 4.936 local terms energy: -274.520131 where: bonds (distance) C4'-P energy: -51.617 bonds (distance) P-C4' energy: -74.985 flat angles C4'-P-C4' energy: -64.405 flat angles P-C4'-P energy: -28.874 tors. eta vs tors. theta energy: -54.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -608.430130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.430130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.430130 (E_RNA) where: Base-Base interactions energy: -347.777 where: short stacking energy: -177.810 Base-Backbone interact. energy: -2.226 local terms energy: -258.426879 where: bonds (distance) C4'-P energy: -62.123 bonds (distance) P-C4' energy: -57.132 flat angles C4'-P-C4' energy: -60.889 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -33.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -661.503603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.503603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.503603 (E_RNA) where: Base-Base interactions energy: -420.111 where: short stacking energy: -202.178 Base-Backbone interact. energy: -0.731 local terms energy: -240.661366 where: bonds (distance) C4'-P energy: -57.079 bonds (distance) P-C4' energy: -49.016 flat angles C4'-P-C4' energy: -52.737 flat angles P-C4'-P energy: -33.896 tors. eta vs tors. theta energy: -47.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -347.634986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.634986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.634986 (E_RNA) where: Base-Base interactions energy: -169.320 where: short stacking energy: -105.034 Base-Backbone interact. energy: -1.035 local terms energy: -177.280145 where: bonds (distance) C4'-P energy: -60.626 bonds (distance) P-C4' energy: -52.664 flat angles C4'-P-C4' energy: -42.894 flat angles P-C4'-P energy: -13.034 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: 10, replica: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -312.971253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.971253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.971253 (E_RNA) where: Base-Base interactions energy: -117.438 where: short stacking energy: -89.148 Base-Backbone interact. energy: -2.653 local terms energy: -192.880205 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -48.936 flat angles C4'-P-C4' energy: -49.543 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: 5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1112.503720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.503720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.503720 (E_RNA) where: Base-Base interactions energy: -766.905 where: short stacking energy: -320.884 Base-Backbone interact. energy: -1.737 local terms energy: -343.861506 where: bonds (distance) C4'-P energy: -68.546 bonds (distance) P-C4' energy: -60.143 flat angles C4'-P-C4' energy: -74.648 flat angles P-C4'-P energy: -51.416 tors. eta vs tors. theta energy: -89.108 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: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1106.806160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.806160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.806160 (E_RNA) where: Base-Base interactions energy: -746.951 where: short stacking energy: -335.557 Base-Backbone interact. energy: -2.307 local terms energy: -357.548494 where: bonds (distance) C4'-P energy: -71.075 bonds (distance) P-C4' energy: -58.955 flat angles C4'-P-C4' energy: -76.525 flat angles P-C4'-P energy: -44.814 tors. eta vs tors. theta energy: -106.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1029.544946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.544946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.544946 (E_RNA) where: Base-Base interactions energy: -683.789 where: short stacking energy: -317.106 Base-Backbone interact. energy: -3.102 local terms energy: -342.654063 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -75.161 flat angles C4'-P-C4' energy: -73.941 flat angles P-C4'-P energy: -44.249 tors. eta vs tors. theta energy: -83.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -926.486792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.486792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.486792 (E_RNA) where: Base-Base interactions energy: -623.023 where: short stacking energy: -267.174 Base-Backbone interact. energy: 0.374 local terms energy: -303.837658 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -62.179 flat angles C4'-P-C4' energy: -63.851 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -69.767 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: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -855.179530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.179530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.179530 (E_RNA) where: Base-Base interactions energy: -584.244 where: short stacking energy: -276.066 Base-Backbone interact. energy: -1.499 local terms energy: -269.436665 where: bonds (distance) C4'-P energy: -48.379 bonds (distance) P-C4' energy: -46.526 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -71.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -636.685008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.685008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.685008 (E_RNA) where: Base-Base interactions energy: -368.318 where: short stacking energy: -202.216 Base-Backbone interact. energy: -1.522 local terms energy: -266.844473 where: bonds (distance) C4'-P energy: -66.955 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -36.850 tors. eta vs tors. theta energy: -31.840 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: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -782.418069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.418069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.418069 (E_RNA) where: Base-Base interactions energy: -491.099 where: short stacking energy: -227.187 Base-Backbone interact. energy: -0.370 local terms energy: -290.948538 where: bonds (distance) C4'-P energy: -60.446 bonds (distance) P-C4' energy: -71.209 flat angles C4'-P-C4' energy: -62.977 flat angles P-C4'-P energy: -36.472 tors. eta vs tors. theta energy: -59.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -618.316219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.316219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.316219 (E_RNA) where: Base-Base interactions energy: -384.419 where: short stacking energy: -179.195 Base-Backbone interact. energy: 0.128 local terms energy: -234.025128 where: bonds (distance) C4'-P energy: -37.329 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -62.750 flat angles P-C4'-P energy: -35.951 tors. eta vs tors. theta energy: -37.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -359.094831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.094831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.094831 (E_RNA) where: Base-Base interactions energy: -165.656 where: short stacking energy: -119.564 Base-Backbone interact. energy: -3.499 local terms energy: -189.940331 where: bonds (distance) C4'-P energy: -44.522 bonds (distance) P-C4' energy: -64.995 flat angles C4'-P-C4' energy: -60.635 flat angles P-C4'-P energy: -25.681 tors. eta vs tors. theta energy: 5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -292.375547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.375547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.375547 (E_RNA) where: Base-Base interactions energy: -110.783 where: short stacking energy: -68.225 Base-Backbone interact. energy: 1.350 local terms energy: -182.942701 where: bonds (distance) C4'-P energy: -49.230 bonds (distance) P-C4' energy: -62.622 flat angles C4'-P-C4' energy: -48.918 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: 13.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1120.070384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.070384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.070384 (E_RNA) where: Base-Base interactions energy: -764.716 where: short stacking energy: -321.049 Base-Backbone interact. energy: -0.644 local terms energy: -354.710152 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -62.317 flat angles C4'-P-C4' energy: -69.109 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -89.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1098.222527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.222527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.222527 (E_RNA) where: Base-Base interactions energy: -732.866 where: short stacking energy: -324.404 Base-Backbone interact. energy: -3.749 local terms energy: -361.607184 where: bonds (distance) C4'-P energy: -62.471 bonds (distance) P-C4' energy: -74.612 flat angles C4'-P-C4' energy: -73.435 flat angles P-C4'-P energy: -49.363 tors. eta vs tors. theta energy: -101.726 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: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -992.574189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.574189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.574189 (E_RNA) where: Base-Base interactions energy: -645.175 where: short stacking energy: -300.025 Base-Backbone interact. energy: -1.701 local terms energy: -345.697733 where: bonds (distance) C4'-P energy: -57.260 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -68.819 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -86.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -916.658746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.658746 (E_RNA) where: Base-Base interactions energy: -604.272 where: short stacking energy: -256.615 Base-Backbone interact. energy: -1.921 local terms energy: -310.465432 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -67.356 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -62.773 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: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -846.106597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.106597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.106597 (E_RNA) where: Base-Base interactions energy: -551.754 where: short stacking energy: -245.557 Base-Backbone interact. energy: -1.147 local terms energy: -293.205704 where: bonds (distance) C4'-P energy: -58.258 bonds (distance) P-C4' energy: -72.425 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -42.464 tors. eta vs tors. theta energy: -57.054 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: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -673.582474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.582474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.582474 (E_RNA) where: Base-Base interactions energy: -396.984 where: short stacking energy: -193.021 Base-Backbone interact. energy: 0.811 local terms energy: -277.409933 where: bonds (distance) C4'-P energy: -69.958 bonds (distance) P-C4' energy: -64.640 flat angles C4'-P-C4' energy: -63.093 flat angles P-C4'-P energy: -38.001 tors. eta vs tors. theta energy: -41.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -747.629401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.629401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.629401 (E_RNA) where: Base-Base interactions energy: -473.318 where: short stacking energy: -209.587 Base-Backbone interact. energy: 0.771 local terms energy: -275.082245 where: bonds (distance) C4'-P energy: -50.918 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -63.389 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -55.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -624.762190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.762190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.762190 (E_RNA) where: Base-Base interactions energy: -391.495 where: short stacking energy: -181.288 Base-Backbone interact. energy: -3.490 local terms energy: -229.777984 where: bonds (distance) C4'-P energy: -51.280 bonds (distance) P-C4' energy: -48.881 flat angles C4'-P-C4' energy: -65.723 flat angles P-C4'-P energy: -26.610 tors. eta vs tors. theta energy: -37.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -382.118662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.118662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.118662 (E_RNA) where: Base-Base interactions energy: -176.139 where: short stacking energy: -122.968 Base-Backbone interact. energy: 3.677 local terms energy: -209.656147 where: bonds (distance) C4'-P energy: -44.234 bonds (distance) P-C4' energy: -69.809 flat angles C4'-P-C4' energy: -43.321 flat angles P-C4'-P energy: -43.951 tors. eta vs tors. theta energy: -8.341 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: 3 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -291.216582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.216582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.216582 (E_RNA) where: Base-Base interactions energy: -98.402 where: short stacking energy: -76.193 Base-Backbone interact. energy: 0.783 local terms energy: -193.596798 where: bonds (distance) C4'-P energy: -68.780 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -43.033 flat angles P-C4'-P energy: -32.616 tors. eta vs tors. theta energy: 8.631 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: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1140.333819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.333819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.333819 (E_RNA) where: Base-Base interactions energy: -774.428 where: short stacking energy: -326.435 Base-Backbone interact. energy: -3.485 local terms energy: -362.420875 where: bonds (distance) C4'-P energy: -71.788 bonds (distance) P-C4' energy: -68.532 flat angles C4'-P-C4' energy: -77.266 flat angles P-C4'-P energy: -57.184 tors. eta vs tors. theta energy: -87.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1069.841234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.841234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.841234 (E_RNA) where: Base-Base interactions energy: -723.065 where: short stacking energy: -332.984 Base-Backbone interact. energy: -1.913 local terms energy: -344.863765 where: bonds (distance) C4'-P energy: -61.563 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -66.963 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -93.649 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: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -953.133235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.133235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.133235 (E_RNA) where: Base-Base interactions energy: -613.188 where: short stacking energy: -299.828 Base-Backbone interact. energy: -1.159 local terms energy: -338.786241 where: bonds (distance) C4'-P energy: -60.265 bonds (distance) P-C4' energy: -74.118 flat angles C4'-P-C4' energy: -72.573 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -78.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -892.159961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.159961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.159961 (E_RNA) where: Base-Base interactions energy: -582.359 where: short stacking energy: -274.346 Base-Backbone interact. energy: 0.072 local terms energy: -309.873250 where: bonds (distance) C4'-P energy: -71.730 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -35.684 tors. eta vs tors. theta energy: -69.985 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: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -844.929712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.929712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.929712 (E_RNA) where: Base-Base interactions energy: -554.668 where: short stacking energy: -256.656 Base-Backbone interact. energy: 0.734 local terms energy: -290.995858 where: bonds (distance) C4'-P energy: -62.370 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -61.367 flat angles P-C4'-P energy: -39.450 tors. eta vs tors. theta energy: -67.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -837.519002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.519002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.519002 (E_RNA) where: Base-Base interactions energy: -539.283 where: short stacking energy: -245.193 Base-Backbone interact. energy: -1.692 local terms energy: -296.544503 where: bonds (distance) C4'-P energy: -68.455 bonds (distance) P-C4' energy: -57.810 flat angles C4'-P-C4' energy: -59.306 flat angles P-C4'-P energy: -48.097 tors. eta vs tors. theta energy: -62.877 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -621.231426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.231426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.231426 (E_RNA) where: Base-Base interactions energy: -359.700 where: short stacking energy: -185.324 Base-Backbone interact. energy: -1.286 local terms energy: -260.245233 where: bonds (distance) C4'-P energy: -53.290 bonds (distance) P-C4' energy: -68.951 flat angles C4'-P-C4' energy: -57.341 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -30.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -624.775443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.775443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.775443 (E_RNA) where: Base-Base interactions energy: -366.870 where: short stacking energy: -187.002 Base-Backbone interact. energy: -0.921 local terms energy: -256.985358 where: bonds (distance) C4'-P energy: -54.724 bonds (distance) P-C4' energy: -55.455 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -44.603 tors. eta vs tors. theta energy: -41.487 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: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -391.224728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.224728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.224728 (E_RNA) where: Base-Base interactions energy: -172.854 where: short stacking energy: -110.625 Base-Backbone interact. energy: 1.158 local terms energy: -219.528535 where: bonds (distance) C4'-P energy: -57.720 bonds (distance) P-C4' energy: -62.426 flat angles C4'-P-C4' energy: -38.806 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -23.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -288.167490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.167490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.167490 (E_RNA) where: Base-Base interactions energy: -94.232 where: short stacking energy: -89.184 Base-Backbone interact. energy: 2.933 local terms energy: -196.868495 where: bonds (distance) C4'-P energy: -58.882 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -44.163 flat angles P-C4'-P energy: -28.621 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: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1111.499924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.499924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.499924 (E_RNA) where: Base-Base interactions energy: -756.363 where: short stacking energy: -317.857 Base-Backbone interact. energy: -1.477 local terms energy: -353.660001 where: bonds (distance) C4'-P energy: -58.289 bonds (distance) P-C4' energy: -77.816 flat angles C4'-P-C4' energy: -77.022 flat angles P-C4'-P energy: -50.297 tors. eta vs tors. theta energy: -90.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1072.794608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.794608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.794608 (E_RNA) where: Base-Base interactions energy: -720.121 where: short stacking energy: -345.099 Base-Backbone interact. energy: -2.265 local terms energy: -350.408585 where: bonds (distance) C4'-P energy: -54.806 bonds (distance) P-C4' energy: -73.552 flat angles C4'-P-C4' energy: -77.232 flat angles P-C4'-P energy: -42.990 tors. eta vs tors. theta energy: -101.829 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: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -950.314848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.314848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.314848 (E_RNA) where: Base-Base interactions energy: -621.362 where: short stacking energy: -289.134 Base-Backbone interact. energy: -0.763 local terms energy: -328.189410 where: bonds (distance) C4'-P energy: -72.194 bonds (distance) P-C4' energy: -59.573 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -80.146 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: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -916.349500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.349500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.349500 (E_RNA) where: Base-Base interactions energy: -603.524 where: short stacking energy: -276.194 Base-Backbone interact. energy: -1.889 local terms energy: -310.936149 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -68.126 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -67.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -838.743575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.743575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.743575 (E_RNA) where: Base-Base interactions energy: -538.533 where: short stacking energy: -254.351 Base-Backbone interact. energy: 2.128 local terms energy: -302.338376 where: bonds (distance) C4'-P energy: -53.085 bonds (distance) P-C4' energy: -75.008 flat angles C4'-P-C4' energy: -74.790 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: -51.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -770.308601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.308601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.308601 (E_RNA) where: Base-Base interactions energy: -490.054 where: short stacking energy: -234.302 Base-Backbone interact. energy: 0.639 local terms energy: -280.894126 where: bonds (distance) C4'-P energy: -58.382 bonds (distance) P-C4' energy: -56.613 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -50.171 tors. eta vs tors. theta energy: -53.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -669.082646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.082646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.082646 (E_RNA) where: Base-Base interactions energy: -404.056 where: short stacking energy: -202.380 Base-Backbone interact. energy: -0.463 local terms energy: -264.563800 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -68.923 flat angles C4'-P-C4' energy: -54.566 flat angles P-C4'-P energy: -41.820 tors. eta vs tors. theta energy: -45.914 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: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -618.209920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.209920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.209920 (E_RNA) where: Base-Base interactions energy: -368.833 where: short stacking energy: -158.190 Base-Backbone interact. energy: 1.453 local terms energy: -250.830734 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -57.779 flat angles C4'-P-C4' energy: -60.994 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: -28.299 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: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -386.441607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.441607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.441607 (E_RNA) where: Base-Base interactions energy: -176.385 where: short stacking energy: -92.246 Base-Backbone interact. energy: 3.404 local terms energy: -213.460564 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -51.466 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -278.150859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.150859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.150859 (E_RNA) where: Base-Base interactions energy: -93.669 where: short stacking energy: -76.756 Base-Backbone interact. energy: -2.346 local terms energy: -182.136006 where: bonds (distance) C4'-P energy: -54.267 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -41.667 flat angles P-C4'-P energy: -27.977 tors. eta vs tors. theta energy: 1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1142.160597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.160597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.160597 (E_RNA) where: Base-Base interactions energy: -783.597 where: short stacking energy: -320.344 Base-Backbone interact. energy: -2.161 local terms energy: -356.403072 where: bonds (distance) C4'-P energy: -69.280 bonds (distance) P-C4' energy: -74.928 flat angles C4'-P-C4' energy: -78.079 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -85.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1093.915245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.915245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.915245 (E_RNA) where: Base-Base interactions energy: -735.343 where: short stacking energy: -334.055 Base-Backbone interact. energy: -3.188 local terms energy: -355.384086 where: bonds (distance) C4'-P energy: -71.062 bonds (distance) P-C4' energy: -59.843 flat angles C4'-P-C4' energy: -72.274 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -111.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -978.917013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.917013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.917013 (E_RNA) where: Base-Base interactions energy: -638.433 where: short stacking energy: -308.920 Base-Backbone interact. energy: 2.231 local terms energy: -342.715044 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -69.055 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -88.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -908.037660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.037660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.037660 (E_RNA) where: Base-Base interactions energy: -581.395 where: short stacking energy: -240.118 Base-Backbone interact. energy: -3.209 local terms energy: -323.433064 where: bonds (distance) C4'-P energy: -58.811 bonds (distance) P-C4' energy: -71.015 flat angles C4'-P-C4' energy: -68.811 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -74.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -856.510034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.510034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.510034 (E_RNA) where: Base-Base interactions energy: -562.082 where: short stacking energy: -248.694 Base-Backbone interact. energy: -0.641 local terms energy: -293.787177 where: bonds (distance) C4'-P energy: -49.140 bonds (distance) P-C4' energy: -62.558 flat angles C4'-P-C4' energy: -73.589 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -66.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -791.217307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.217307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.217307 (E_RNA) where: Base-Base interactions energy: -500.877 where: short stacking energy: -232.274 Base-Backbone interact. energy: -1.520 local terms energy: -288.819547 where: bonds (distance) C4'-P energy: -56.429 bonds (distance) P-C4' energy: -74.147 flat angles C4'-P-C4' energy: -53.136 flat angles P-C4'-P energy: -44.672 tors. eta vs tors. theta energy: -60.436 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: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -671.934398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.934398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.934398 (E_RNA) where: Base-Base interactions energy: -412.975 where: short stacking energy: -211.328 Base-Backbone interact. energy: -0.762 local terms energy: -258.197051 where: bonds (distance) C4'-P energy: -60.041 bonds (distance) P-C4' energy: -65.412 flat angles C4'-P-C4' energy: -60.732 flat angles P-C4'-P energy: -18.293 tors. eta vs tors. theta energy: -53.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -611.521666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.521666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.521666 (E_RNA) where: Base-Base interactions energy: -379.070 where: short stacking energy: -200.617 Base-Backbone interact. energy: -2.064 local terms energy: -230.387962 where: bonds (distance) C4'-P energy: -54.525 bonds (distance) P-C4' energy: -56.451 flat angles C4'-P-C4' energy: -47.406 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -37.511 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: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -431.441910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.441910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.441910 (E_RNA) where: Base-Base interactions energy: -218.469 where: short stacking energy: -117.490 Base-Backbone interact. energy: 0.072 local terms energy: -213.044833 where: bonds (distance) C4'-P energy: -58.032 bonds (distance) P-C4' energy: -53.528 flat angles C4'-P-C4' energy: -54.496 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: -11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -291.440963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.440963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.440963 (E_RNA) where: Base-Base interactions energy: -114.327 where: short stacking energy: -100.177 Base-Backbone interact. energy: 0.188 local terms energy: -177.301820 where: bonds (distance) C4'-P energy: -58.352 bonds (distance) P-C4' energy: -42.873 flat angles C4'-P-C4' energy: -45.788 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: 10.088 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: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1125.989452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.989452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.989452 (E_RNA) where: Base-Base interactions energy: -757.795 where: short stacking energy: -325.440 Base-Backbone interact. energy: -0.242 local terms energy: -367.952080 where: bonds (distance) C4'-P energy: -65.549 bonds (distance) P-C4' energy: -72.085 flat angles C4'-P-C4' energy: -85.758 flat angles P-C4'-P energy: -57.126 tors. eta vs tors. theta energy: -87.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1098.668321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.668321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.668321 (E_RNA) where: Base-Base interactions energy: -733.310 where: short stacking energy: -330.584 Base-Backbone interact. energy: 0.701 local terms energy: -366.059424 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -55.591 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: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -998.701935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.701935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.701935 (E_RNA) where: Base-Base interactions energy: -649.884 where: short stacking energy: -307.554 Base-Backbone interact. energy: -2.325 local terms energy: -346.493085 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -65.938 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -50.074 tors. eta vs tors. theta energy: -86.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -896.417866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.417866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.417866 (E_RNA) where: Base-Base interactions energy: -590.277 where: short stacking energy: -262.134 Base-Backbone interact. energy: -2.211 local terms energy: -303.929238 where: bonds (distance) C4'-P energy: -66.614 bonds (distance) P-C4' energy: -65.660 flat angles C4'-P-C4' energy: -73.402 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -55.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -875.223983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.223983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.223983 (E_RNA) where: Base-Base interactions energy: -583.070 where: short stacking energy: -257.902 Base-Backbone interact. energy: 2.109 local terms energy: -294.263512 where: bonds (distance) C4'-P energy: -54.400 bonds (distance) P-C4' energy: -70.782 flat angles C4'-P-C4' energy: -63.297 flat angles P-C4'-P energy: -39.361 tors. eta vs tors. theta energy: -66.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -772.714169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.714169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.714169 (E_RNA) where: Base-Base interactions energy: -498.564 where: short stacking energy: -210.619 Base-Backbone interact. energy: -0.341 local terms energy: -273.809095 where: bonds (distance) C4'-P energy: -47.672 bonds (distance) P-C4' energy: -60.998 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -49.296 tors. eta vs tors. theta energy: -46.023 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -642.934791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.934791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.934791 (E_RNA) where: Base-Base interactions energy: -372.979 where: short stacking energy: -186.365 Base-Backbone interact. energy: -0.867 local terms energy: -269.088551 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -60.127 flat angles C4'-P-C4' energy: -64.279 flat angles P-C4'-P energy: -40.184 tors. eta vs tors. theta energy: -43.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -620.660212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.660212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.660212 (E_RNA) where: Base-Base interactions energy: -385.808 where: short stacking energy: -167.766 Base-Backbone interact. energy: 3.213 local terms energy: -238.064864 where: bonds (distance) C4'-P energy: -53.798 bonds (distance) P-C4' energy: -57.938 flat angles C4'-P-C4' energy: -56.037 flat angles P-C4'-P energy: -39.405 tors. eta vs tors. theta energy: -30.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -479.139717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.139717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.139717 (E_RNA) where: Base-Base interactions energy: -270.300 where: short stacking energy: -145.344 Base-Backbone interact. energy: -1.489 local terms energy: -207.351429 where: bonds (distance) C4'-P energy: -50.716 bonds (distance) P-C4' energy: -59.749 flat angles C4'-P-C4' energy: -50.756 flat angles P-C4'-P energy: -35.976 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -276.236988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.236988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.236988 (E_RNA) where: Base-Base interactions energy: -106.215 where: short stacking energy: -97.389 Base-Backbone interact. energy: 4.988 local terms energy: -175.009456 where: bonds (distance) C4'-P energy: -42.329 bonds (distance) P-C4' energy: -63.689 flat angles C4'-P-C4' energy: -44.206 flat angles P-C4'-P energy: -27.811 tors. eta vs tors. theta energy: 3.026 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1127.123950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.123950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.123950 (E_RNA) where: Base-Base interactions energy: -765.730 where: short stacking energy: -312.896 Base-Backbone interact. energy: -1.443 local terms energy: -359.951314 where: bonds (distance) C4'-P energy: -71.350 bonds (distance) P-C4' energy: -77.880 flat angles C4'-P-C4' energy: -73.540 flat angles P-C4'-P energy: -53.473 tors. eta vs tors. theta energy: -83.708 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: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1098.990746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.990746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.990746 (E_RNA) where: Base-Base interactions energy: -730.862 where: short stacking energy: -341.773 Base-Backbone interact. energy: -2.706 local terms energy: -365.422705 where: bonds (distance) C4'-P energy: -66.660 bonds (distance) P-C4' energy: -70.583 flat angles C4'-P-C4' energy: -75.018 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -105.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1019.329974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.329974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.329974 (E_RNA) where: Base-Base interactions energy: -672.385 where: short stacking energy: -311.483 Base-Backbone interact. energy: 0.331 local terms energy: -347.275452 where: bonds (distance) C4'-P energy: -70.935 bonds (distance) P-C4' energy: -71.971 flat angles C4'-P-C4' energy: -68.042 flat angles P-C4'-P energy: -47.963 tors. eta vs tors. theta energy: -88.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -887.827721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.827721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.827721 (E_RNA) where: Base-Base interactions energy: -579.495 where: short stacking energy: -259.212 Base-Backbone interact. energy: -1.279 local terms energy: -307.053849 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -75.163 flat angles C4'-P-C4' energy: -54.209 flat angles P-C4'-P energy: -45.919 tors. eta vs tors. theta energy: -71.807 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: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -919.577619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.577619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.577619 (E_RNA) where: Base-Base interactions energy: -599.983 where: short stacking energy: -255.333 Base-Backbone interact. energy: -2.836 local terms energy: -316.758598 where: bonds (distance) C4'-P energy: -75.494 bonds (distance) P-C4' energy: -54.514 flat angles C4'-P-C4' energy: -65.986 flat angles P-C4'-P energy: -46.781 tors. eta vs tors. theta energy: -73.983 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: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -764.083854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.083854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.083854 (E_RNA) where: Base-Base interactions energy: -480.043 where: short stacking energy: -229.697 Base-Backbone interact. energy: -0.823 local terms energy: -283.218102 where: bonds (distance) C4'-P energy: -64.634 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -46.791 flat angles P-C4'-P energy: -51.937 tors. eta vs tors. theta energy: -55.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -625.813640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.813640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.813640 (E_RNA) where: Base-Base interactions energy: -377.975 where: short stacking energy: -180.051 Base-Backbone interact. energy: -2.465 local terms energy: -245.374592 where: bonds (distance) C4'-P energy: -49.279 bonds (distance) P-C4' energy: -61.219 flat angles C4'-P-C4' energy: -62.563 flat angles P-C4'-P energy: -31.637 tors. eta vs tors. theta energy: -40.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -582.191462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.191462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.191462 (E_RNA) where: Base-Base interactions energy: -350.507 where: short stacking energy: -171.882 Base-Backbone interact. energy: 6.261 local terms energy: -237.944875 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -53.946 flat angles C4'-P-C4' energy: -56.674 flat angles P-C4'-P energy: -39.229 tors. eta vs tors. theta energy: -24.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -430.515816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.515816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.515816 (E_RNA) where: Base-Base interactions energy: -224.469 where: short stacking energy: -120.196 Base-Backbone interact. energy: 1.924 local terms energy: -207.970555 where: bonds (distance) C4'-P energy: -67.344 bonds (distance) P-C4' energy: -47.489 flat angles C4'-P-C4' energy: -62.244 flat angles P-C4'-P energy: -16.701 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -303.499763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.499763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.499763 (E_RNA) where: Base-Base interactions energy: -120.237 where: short stacking energy: -113.077 Base-Backbone interact. energy: -0.727 local terms energy: -182.535793 where: bonds (distance) C4'-P energy: -50.831 bonds (distance) P-C4' energy: -56.604 flat angles C4'-P-C4' energy: -43.434 flat angles P-C4'-P energy: -28.930 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1137.438082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.438082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.438082 (E_RNA) where: Base-Base interactions energy: -780.530 where: short stacking energy: -325.872 Base-Backbone interact. energy: -1.751 local terms energy: -355.156773 where: bonds (distance) C4'-P energy: -75.282 bonds (distance) P-C4' energy: -56.353 flat angles C4'-P-C4' energy: -77.970 flat angles P-C4'-P energy: -54.468 tors. eta vs tors. theta energy: -91.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1087.749289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.749289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.749289 (E_RNA) where: Base-Base interactions energy: -724.187 where: short stacking energy: -339.246 Base-Backbone interact. energy: -2.674 local terms energy: -360.888241 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -70.387 flat angles C4'-P-C4' energy: -69.151 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -99.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1015.628786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.628786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.628786 (E_RNA) where: Base-Base interactions energy: -663.898 where: short stacking energy: -318.718 Base-Backbone interact. energy: -1.372 local terms energy: -350.358801 where: bonds (distance) C4'-P energy: -71.770 bonds (distance) P-C4' energy: -67.967 flat angles C4'-P-C4' energy: -77.626 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -92.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -868.242527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.242527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.242527 (E_RNA) where: Base-Base interactions energy: -581.212 where: short stacking energy: -243.588 Base-Backbone interact. energy: -0.900 local terms energy: -286.130356 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -65.460 flat angles C4'-P-C4' energy: -68.933 flat angles P-C4'-P energy: -35.964 tors. eta vs tors. theta energy: -59.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -905.275709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.275709 (E_RNA) where: Base-Base interactions energy: -622.591 where: short stacking energy: -285.218 Base-Backbone interact. energy: -1.024 local terms energy: -281.661413 where: bonds (distance) C4'-P energy: -52.090 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -62.257 flat angles P-C4'-P energy: -29.779 tors. eta vs tors. theta energy: -75.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -744.917962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.917962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.917962 (E_RNA) where: Base-Base interactions energy: -451.692 where: short stacking energy: -206.267 Base-Backbone interact. energy: -1.255 local terms energy: -291.970436 where: bonds (distance) C4'-P energy: -56.018 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -62.163 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: -63.439 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: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -571.527384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.527384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.527384 (E_RNA) where: Base-Base interactions energy: -327.623 where: short stacking energy: -167.925 Base-Backbone interact. energy: -1.878 local terms energy: -242.025904 where: bonds (distance) C4'-P energy: -63.693 bonds (distance) P-C4' energy: -52.818 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -35.743 tors. eta vs tors. theta energy: -27.484 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: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -602.180097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.180097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.180097 (E_RNA) where: Base-Base interactions energy: -359.292 where: short stacking energy: -163.461 Base-Backbone interact. energy: -2.329 local terms energy: -240.558769 where: bonds (distance) C4'-P energy: -54.566 bonds (distance) P-C4' energy: -62.778 flat angles C4'-P-C4' energy: -50.358 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: -30.588 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: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -436.307339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.307339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.307339 (E_RNA) where: Base-Base interactions energy: -231.985 where: short stacking energy: -128.838 Base-Backbone interact. energy: -1.888 local terms energy: -202.434538 where: bonds (distance) C4'-P energy: -45.620 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -42.807 flat angles P-C4'-P energy: -37.732 tors. eta vs tors. theta energy: -9.870 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: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -287.385919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.385919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.385919 (E_RNA) where: Base-Base interactions energy: -96.758 where: short stacking energy: -92.843 Base-Backbone interact. energy: -0.189 local terms energy: -190.439072 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -52.660 flat angles C4'-P-C4' energy: -55.686 flat angles P-C4'-P energy: -25.234 tors. eta vs tors. theta energy: 3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1124.318517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.318517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.318517 (E_RNA) where: Base-Base interactions energy: -759.625 where: short stacking energy: -329.222 Base-Backbone interact. energy: -0.901 local terms energy: -363.792275 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -73.863 flat angles C4'-P-C4' energy: -77.820 flat angles P-C4'-P energy: -52.817 tors. eta vs tors. theta energy: -88.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1086.231625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.231625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.231625 (E_RNA) where: Base-Base interactions energy: -717.545 where: short stacking energy: -336.328 Base-Backbone interact. energy: -0.786 local terms energy: -367.900778 where: bonds (distance) C4'-P energy: -58.171 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -75.658 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -112.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1026.301993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.301993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.301993 (E_RNA) where: Base-Base interactions energy: -673.829 where: short stacking energy: -311.315 Base-Backbone interact. energy: -0.043 local terms energy: -352.429978 where: bonds (distance) C4'-P energy: -70.849 bonds (distance) P-C4' energy: -68.844 flat angles C4'-P-C4' energy: -75.907 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -91.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -917.344494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.344494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.344494 (E_RNA) where: Base-Base interactions energy: -597.458 where: short stacking energy: -261.674 Base-Backbone interact. energy: -0.222 local terms energy: -319.664576 where: bonds (distance) C4'-P energy: -67.291 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -82.925 flat angles P-C4'-P energy: -32.059 tors. eta vs tors. theta energy: -71.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -844.342968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.342968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.342968 (E_RNA) where: Base-Base interactions energy: -552.639 where: short stacking energy: -253.139 Base-Backbone interact. energy: -1.754 local terms energy: -289.949738 where: bonds (distance) C4'-P energy: -52.446 bonds (distance) P-C4' energy: -60.759 flat angles C4'-P-C4' energy: -60.754 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -69.260 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: 129 Temperature: 1.150000 Total energy: -731.958328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.958328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.958328 (E_RNA) where: Base-Base interactions energy: -479.277 where: short stacking energy: -239.986 Base-Backbone interact. energy: -1.494 local terms energy: -251.187989 where: bonds (distance) C4'-P energy: -56.230 bonds (distance) P-C4' energy: -54.195 flat angles C4'-P-C4' energy: -57.391 flat angles P-C4'-P energy: -30.232 tors. eta vs tors. theta energy: -53.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -574.465248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.465248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.465248 (E_RNA) where: Base-Base interactions energy: -340.979 where: short stacking energy: -178.682 Base-Backbone interact. energy: -2.291 local terms energy: -231.194465 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -66.813 flat angles C4'-P-C4' energy: -57.089 flat angles P-C4'-P energy: -27.359 tors. eta vs tors. theta energy: -27.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -591.918159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.918159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.918159 (E_RNA) where: Base-Base interactions energy: -360.330 where: short stacking energy: -166.628 Base-Backbone interact. energy: 2.945 local terms energy: -234.533407 where: bonds (distance) C4'-P energy: -50.887 bonds (distance) P-C4' energy: -63.220 flat angles C4'-P-C4' energy: -60.168 flat angles P-C4'-P energy: -29.277 tors. eta vs tors. theta energy: -30.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -446.229692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.229692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.229692 (E_RNA) where: Base-Base interactions energy: -242.104 where: short stacking energy: -117.912 Base-Backbone interact. energy: 3.686 local terms energy: -207.811510 where: bonds (distance) C4'-P energy: -54.066 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -58.272 flat angles P-C4'-P energy: -17.831 tors. eta vs tors. theta energy: -16.588 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: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -289.603346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.603346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.603346 (E_RNA) where: Base-Base interactions energy: -91.189 where: short stacking energy: -77.307 Base-Backbone interact. energy: -2.539 local terms energy: -195.875453 where: bonds (distance) C4'-P energy: -56.693 bonds (distance) P-C4' energy: -52.291 flat angles C4'-P-C4' energy: -56.482 flat angles P-C4'-P energy: -33.486 tors. eta vs tors. theta energy: 3.076 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: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1095.808298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.808298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.808298 (E_RNA) where: Base-Base interactions energy: -765.874 where: short stacking energy: -292.355 Base-Backbone interact. energy: -0.734 local terms energy: -329.199550 where: bonds (distance) C4'-P energy: -68.052 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -76.476 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -74.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1069.415352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.415352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.415352 (E_RNA) where: Base-Base interactions energy: -714.572 where: short stacking energy: -315.703 Base-Backbone interact. energy: -2.626 local terms energy: -352.217335 where: bonds (distance) C4'-P energy: -72.615 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -69.094 flat angles P-C4'-P energy: -51.906 tors. eta vs tors. theta energy: -98.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1024.565958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.565958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.565958 (E_RNA) where: Base-Base interactions energy: -670.216 where: short stacking energy: -308.494 Base-Backbone interact. energy: -0.923 local terms energy: -353.427485 where: bonds (distance) C4'-P energy: -70.586 bonds (distance) P-C4' energy: -68.827 flat angles C4'-P-C4' energy: -75.161 flat angles P-C4'-P energy: -52.473 tors. eta vs tors. theta energy: -86.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -921.944381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.944381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.944381 (E_RNA) where: Base-Base interactions energy: -591.568 where: short stacking energy: -285.166 Base-Backbone interact. energy: -2.382 local terms energy: -327.994800 where: bonds (distance) C4'-P energy: -70.280 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -65.377 flat angles P-C4'-P energy: -51.098 tors. eta vs tors. theta energy: -80.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -861.576391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.576391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.576391 (E_RNA) where: Base-Base interactions energy: -547.865 where: short stacking energy: -267.480 Base-Backbone interact. energy: -0.193 local terms energy: -313.518802 where: bonds (distance) C4'-P energy: -70.252 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -67.830 flat angles P-C4'-P energy: -42.348 tors. eta vs tors. theta energy: -68.218 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: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -729.414254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.414254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.414254 (E_RNA) where: Base-Base interactions energy: -465.743 where: short stacking energy: -216.921 Base-Backbone interact. energy: 1.864 local terms energy: -265.535714 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -60.681 flat angles C4'-P-C4' energy: -62.675 flat angles P-C4'-P energy: -42.419 tors. eta vs tors. theta energy: -45.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -623.130826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.130826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.130826 (E_RNA) where: Base-Base interactions energy: -369.425 where: short stacking energy: -187.259 Base-Backbone interact. energy: 1.260 local terms energy: -254.966598 where: bonds (distance) C4'-P energy: -49.623 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -50.808 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -36.428 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: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -594.301633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.301633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.301633 (E_RNA) where: Base-Base interactions energy: -350.924 where: short stacking energy: -163.852 Base-Backbone interact. energy: -0.155 local terms energy: -243.222029 where: bonds (distance) C4'-P energy: -56.904 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -60.199 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -26.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -416.041281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.041281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.041281 (E_RNA) where: Base-Base interactions energy: -212.696 where: short stacking energy: -115.798 Base-Backbone interact. energy: -1.908 local terms energy: -201.437290 where: bonds (distance) C4'-P energy: -45.705 bonds (distance) P-C4' energy: -63.308 flat angles C4'-P-C4' energy: -60.600 flat angles P-C4'-P energy: -17.946 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -325.567844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.567844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.567844 (E_RNA) where: Base-Base interactions energy: -108.990 where: short stacking energy: -94.148 Base-Backbone interact. energy: -1.070 local terms energy: -215.507327 where: bonds (distance) C4'-P energy: -68.582 bonds (distance) P-C4' energy: -72.956 flat angles C4'-P-C4' energy: -51.972 flat angles P-C4'-P energy: -19.439 tors. eta vs tors. theta energy: -2.558 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: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1108.315148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.315148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.315148 (E_RNA) where: Base-Base interactions energy: -772.133 where: short stacking energy: -316.943 Base-Backbone interact. energy: -2.570 local terms energy: -333.611832 where: bonds (distance) C4'-P energy: -60.315 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -64.079 flat angles P-C4'-P energy: -48.558 tors. eta vs tors. theta energy: -86.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1052.114850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.114850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.114850 (E_RNA) where: Base-Base interactions energy: -697.088 where: short stacking energy: -326.834 Base-Backbone interact. energy: -2.098 local terms energy: -352.929077 where: bonds (distance) C4'-P energy: -66.934 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -78.104 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -90.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1073.797181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.797181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.797181 (E_RNA) where: Base-Base interactions energy: -720.975 where: short stacking energy: -335.459 Base-Backbone interact. energy: -1.068 local terms energy: -351.753713 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -102.688 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: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -944.275560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.275560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.275560 (E_RNA) where: Base-Base interactions energy: -597.551 where: short stacking energy: -285.335 Base-Backbone interact. energy: -2.121 local terms energy: -344.603624 where: bonds (distance) C4'-P energy: -63.832 bonds (distance) P-C4' energy: -75.665 flat angles C4'-P-C4' energy: -69.407 flat angles P-C4'-P energy: -51.773 tors. eta vs tors. theta energy: -83.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -855.341418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.341418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.341418 (E_RNA) where: Base-Base interactions energy: -559.217 where: short stacking energy: -257.594 Base-Backbone interact. energy: 1.798 local terms energy: -297.922019 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -63.564 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -30.907 tors. eta vs tors. theta energy: -61.626 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: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -752.390484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.390484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.390484 (E_RNA) where: Base-Base interactions energy: -488.732 where: short stacking energy: -245.117 Base-Backbone interact. energy: -0.829 local terms energy: -262.829175 where: bonds (distance) C4'-P energy: -48.713 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -71.449 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: -46.427 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: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -649.956950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.956950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.956950 (E_RNA) where: Base-Base interactions energy: -374.028 where: short stacking energy: -183.307 Base-Backbone interact. energy: -2.499 local terms energy: -273.429362 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -37.442 tors. eta vs tors. theta energy: -39.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -639.773971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.773971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.773971 (E_RNA) where: Base-Base interactions energy: -384.329 where: short stacking energy: -185.003 Base-Backbone interact. energy: -1.956 local terms energy: -253.489060 where: bonds (distance) C4'-P energy: -50.773 bonds (distance) P-C4' energy: -65.711 flat angles C4'-P-C4' energy: -69.328 flat angles P-C4'-P energy: -31.264 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: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -450.259907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.259907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.259907 (E_RNA) where: Base-Base interactions energy: -239.359 where: short stacking energy: -121.680 Base-Backbone interact. energy: -0.347 local terms energy: -210.553798 where: bonds (distance) C4'-P energy: -53.057 bonds (distance) P-C4' energy: -62.646 flat angles C4'-P-C4' energy: -47.302 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: -8.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -294.988832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.988832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.988832 (E_RNA) where: Base-Base interactions energy: -107.513 where: short stacking energy: -92.644 Base-Backbone interact. energy: 2.127 local terms energy: -189.603201 where: bonds (distance) C4'-P energy: -43.235 bonds (distance) P-C4' energy: -49.291 flat angles C4'-P-C4' energy: -49.974 flat angles P-C4'-P energy: -43.769 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1109.640348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.640348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.640348 (E_RNA) where: Base-Base interactions energy: -759.404 where: short stacking energy: -308.310 Base-Backbone interact. energy: 0.592 local terms energy: -350.828513 where: bonds (distance) C4'-P energy: -73.501 bonds (distance) P-C4' energy: -70.632 flat angles C4'-P-C4' energy: -67.315 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: -82.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1090.016034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.016034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.016034 (E_RNA) where: Base-Base interactions energy: -729.276 where: short stacking energy: -337.137 Base-Backbone interact. energy: 0.454 local terms energy: -361.193842 where: bonds (distance) C4'-P energy: -66.820 bonds (distance) P-C4' energy: -72.132 flat angles C4'-P-C4' energy: -75.391 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -93.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1039.805542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.805542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.805542 (E_RNA) where: Base-Base interactions energy: -700.510 where: short stacking energy: -312.361 Base-Backbone interact. energy: -0.722 local terms energy: -338.573384 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -80.999 flat angles P-C4'-P energy: -43.482 tors. eta vs tors. theta energy: -91.483 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: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -938.675333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.675333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.675333 (E_RNA) where: Base-Base interactions energy: -609.914 where: short stacking energy: -282.066 Base-Backbone interact. energy: -0.154 local terms energy: -328.607651 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -65.798 flat angles C4'-P-C4' energy: -77.710 flat angles P-C4'-P energy: -45.703 tors. eta vs tors. theta energy: -79.123 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: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -820.084239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.084239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.084239 (E_RNA) where: Base-Base interactions energy: -521.927 where: short stacking energy: -224.454 Base-Backbone interact. energy: -0.855 local terms energy: -297.302416 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -64.431 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -56.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -738.585439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.585439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.585439 (E_RNA) where: Base-Base interactions energy: -470.171 where: short stacking energy: -215.361 Base-Backbone interact. energy: -2.230 local terms energy: -266.184388 where: bonds (distance) C4'-P energy: -58.488 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -69.143 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -40.240 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: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -664.595564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.595564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.595564 (E_RNA) where: Base-Base interactions energy: -409.787 where: short stacking energy: -186.706 Base-Backbone interact. energy: -1.335 local terms energy: -253.473748 where: bonds (distance) C4'-P energy: -54.424 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -61.707 flat angles P-C4'-P energy: -32.659 tors. eta vs tors. theta energy: -38.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -644.777020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.777020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.777020 (E_RNA) where: Base-Base interactions energy: -389.945 where: short stacking energy: -180.024 Base-Backbone interact. energy: -1.062 local terms energy: -253.769714 where: bonds (distance) C4'-P energy: -60.676 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -49.065 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -35.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -457.562550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.562550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.562550 (E_RNA) where: Base-Base interactions energy: -245.222 where: short stacking energy: -126.604 Base-Backbone interact. energy: -1.583 local terms energy: -210.757940 where: bonds (distance) C4'-P energy: -59.588 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -47.163 flat angles P-C4'-P energy: -37.764 tors. eta vs tors. theta energy: -7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -278.122751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.122751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.122751 (E_RNA) where: Base-Base interactions energy: -109.757 where: short stacking energy: -92.383 Base-Backbone interact. energy: 2.396 local terms energy: -170.761911 where: bonds (distance) C4'-P energy: -38.357 bonds (distance) P-C4' energy: -55.080 flat angles C4'-P-C4' energy: -41.041 flat angles P-C4'-P energy: -31.207 tors. eta vs tors. theta energy: -5.076 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: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1140.236384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.236384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.236384 (E_RNA) where: Base-Base interactions energy: -782.780 where: short stacking energy: -316.995 Base-Backbone interact. energy: -2.869 local terms energy: -354.586807 where: bonds (distance) C4'-P energy: -61.619 bonds (distance) P-C4' energy: -71.909 flat angles C4'-P-C4' energy: -82.561 flat angles P-C4'-P energy: -47.145 tors. eta vs tors. theta energy: -91.353 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: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1074.019744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.019744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.019744 (E_RNA) where: Base-Base interactions energy: -718.122 where: short stacking energy: -324.235 Base-Backbone interact. energy: -2.201 local terms energy: -353.696347 where: bonds (distance) C4'-P energy: -62.900 bonds (distance) P-C4' energy: -69.559 flat angles C4'-P-C4' energy: -73.064 flat angles P-C4'-P energy: -51.873 tors. eta vs tors. theta energy: -96.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1037.711905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.711905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.711905 (E_RNA) where: Base-Base interactions energy: -702.327 where: short stacking energy: -311.137 Base-Backbone interact. energy: -0.513 local terms energy: -334.871680 where: bonds (distance) C4'-P energy: -61.694 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -70.379 flat angles P-C4'-P energy: -38.567 tors. eta vs tors. theta energy: -98.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -927.936798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.936798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.936798 (E_RNA) where: Base-Base interactions energy: -628.061 where: short stacking energy: -264.844 Base-Backbone interact. energy: 1.858 local terms energy: -301.733138 where: bonds (distance) C4'-P energy: -51.802 bonds (distance) P-C4' energy: -58.732 flat angles C4'-P-C4' energy: -79.872 flat angles P-C4'-P energy: -42.260 tors. eta vs tors. theta energy: -69.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -843.682617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.682617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.682617 (E_RNA) where: Base-Base interactions energy: -559.764 where: short stacking energy: -238.162 Base-Backbone interact. energy: 2.591 local terms energy: -286.509727 where: bonds (distance) C4'-P energy: -56.362 bonds (distance) P-C4' energy: -65.428 flat angles C4'-P-C4' energy: -67.574 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -50.807 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: 133 Temperature: 1.150000 Total energy: -753.854167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.854167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.854167 (E_RNA) where: Base-Base interactions energy: -484.820 where: short stacking energy: -227.845 Base-Backbone interact. energy: 1.735 local terms energy: -270.768592 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -70.620 flat angles C4'-P-C4' energy: -63.710 flat angles P-C4'-P energy: -24.924 tors. eta vs tors. theta energy: -50.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -657.626063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.626063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.626063 (E_RNA) where: Base-Base interactions energy: -395.247 where: short stacking energy: -203.583 Base-Backbone interact. energy: -0.577 local terms energy: -261.802882 where: bonds (distance) C4'-P energy: -57.937 bonds (distance) P-C4' energy: -57.731 flat angles C4'-P-C4' energy: -61.588 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: -47.966 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: 133 Temperature: 1.250000 Total energy: -628.648240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.648240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.648240 (E_RNA) where: Base-Base interactions energy: -383.894 where: short stacking energy: -172.283 Base-Backbone interact. energy: -1.439 local terms energy: -243.315112 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -64.454 flat angles C4'-P-C4' energy: -55.698 flat angles P-C4'-P energy: -34.654 tors. eta vs tors. theta energy: -28.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -377.840647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.840647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.840647 (E_RNA) where: Base-Base interactions energy: -165.921 where: short stacking energy: -104.386 Base-Backbone interact. energy: -1.403 local terms energy: -210.516466 where: bonds (distance) C4'-P energy: -51.948 bonds (distance) P-C4' energy: -59.575 flat angles C4'-P-C4' energy: -62.240 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: 4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -268.402820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.402820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.402820 (E_RNA) where: Base-Base interactions energy: -107.163 where: short stacking energy: -78.301 Base-Backbone interact. energy: -0.253 local terms energy: -160.986458 where: bonds (distance) C4'-P energy: -48.613 bonds (distance) P-C4' energy: -42.036 flat angles C4'-P-C4' energy: -47.712 flat angles P-C4'-P energy: -35.626 tors. eta vs tors. theta energy: 13.001 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: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1132.236387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.236387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.236387 (E_RNA) where: Base-Base interactions energy: -762.012 where: short stacking energy: -334.356 Base-Backbone interact. energy: 1.821 local terms energy: -372.045748 where: bonds (distance) C4'-P energy: -70.639 bonds (distance) P-C4' energy: -71.537 flat angles C4'-P-C4' energy: -78.420 flat angles P-C4'-P energy: -56.682 tors. eta vs tors. theta energy: -94.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1056.522331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.522331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.522331 (E_RNA) where: Base-Base interactions energy: -684.060 where: short stacking energy: -318.810 Base-Backbone interact. energy: -3.387 local terms energy: -369.075221 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -73.326 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -97.586 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: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1024.649517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.649517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.649517 (E_RNA) where: Base-Base interactions energy: -708.008 where: short stacking energy: -313.036 Base-Backbone interact. energy: -2.777 local terms energy: -313.864309 where: bonds (distance) C4'-P energy: -59.582 bonds (distance) P-C4' energy: -57.030 flat angles C4'-P-C4' energy: -64.609 flat angles P-C4'-P energy: -43.101 tors. eta vs tors. theta energy: -89.542 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: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -897.311104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.311104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.311104 (E_RNA) where: Base-Base interactions energy: -582.746 where: short stacking energy: -271.187 Base-Backbone interact. energy: 2.257 local terms energy: -316.821342 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -64.863 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -76.706 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: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -828.117195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.117195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.117195 (E_RNA) where: Base-Base interactions energy: -530.230 where: short stacking energy: -243.025 Base-Backbone interact. energy: -1.330 local terms energy: -296.557494 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -61.857 flat angles C4'-P-C4' energy: -76.237 flat angles P-C4'-P energy: -33.184 tors. eta vs tors. theta energy: -63.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -751.987804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.987804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.987804 (E_RNA) where: Base-Base interactions energy: -450.481 where: short stacking energy: -225.335 Base-Backbone interact. energy: -0.587 local terms energy: -300.919955 where: bonds (distance) C4'-P energy: -63.187 bonds (distance) P-C4' energy: -61.604 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -61.341 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: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -597.683134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.683134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.683134 (E_RNA) where: Base-Base interactions energy: -334.234 where: short stacking energy: -146.890 Base-Backbone interact. energy: -0.274 local terms energy: -263.175339 where: bonds (distance) C4'-P energy: -61.743 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -69.444 flat angles P-C4'-P energy: -35.378 tors. eta vs tors. theta energy: -34.338 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: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -601.929400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.929400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.929400 (E_RNA) where: Base-Base interactions energy: -354.502 where: short stacking energy: -164.670 Base-Backbone interact. energy: 2.902 local terms energy: -250.329730 where: bonds (distance) C4'-P energy: -58.382 bonds (distance) P-C4' energy: -72.542 flat angles C4'-P-C4' energy: -54.346 flat angles P-C4'-P energy: -33.938 tors. eta vs tors. theta energy: -31.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -300.351333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.351333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.351333 (E_RNA) where: Base-Base interactions energy: -110.655 where: short stacking energy: -82.535 Base-Backbone interact. energy: 0.274 local terms energy: -189.970679 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -51.340 flat angles C4'-P-C4' energy: -40.061 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -335.412622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.412622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.412622 (E_RNA) where: Base-Base interactions energy: -159.180 where: short stacking energy: -69.231 Base-Backbone interact. energy: 0.189 local terms energy: -176.421591 where: bonds (distance) C4'-P energy: -71.610 bonds (distance) P-C4' energy: -57.394 flat angles C4'-P-C4' energy: -44.824 flat angles P-C4'-P energy: -23.317 tors. eta vs tors. theta energy: 20.723 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: 135 Temperature: 0.900000 Total energy: -1136.546512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.546512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.546512 (E_RNA) where: Base-Base interactions energy: -762.633 where: short stacking energy: -326.298 Base-Backbone interact. energy: -3.157 local terms energy: -370.756284 where: bonds (distance) C4'-P energy: -64.762 bonds (distance) P-C4' energy: -72.431 flat angles C4'-P-C4' energy: -86.144 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -98.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1053.015495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.015495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.015495 (E_RNA) where: Base-Base interactions energy: -687.747 where: short stacking energy: -340.391 Base-Backbone interact. energy: -5.204 local terms energy: -360.064862 where: bonds (distance) C4'-P energy: -65.229 bonds (distance) P-C4' energy: -69.772 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -54.828 tors. eta vs tors. theta energy: -92.912 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: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1056.864830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.864830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.864830 (E_RNA) where: Base-Base interactions energy: -713.120 where: short stacking energy: -338.077 Base-Backbone interact. energy: -1.395 local terms energy: -342.349930 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -63.858 flat angles C4'-P-C4' energy: -72.684 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -96.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -884.980045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.980045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.980045 (E_RNA) where: Base-Base interactions energy: -592.357 where: short stacking energy: -261.405 Base-Backbone interact. energy: 0.772 local terms energy: -293.394732 where: bonds (distance) C4'-P energy: -58.860 bonds (distance) P-C4' energy: -58.062 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -62.152 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: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -854.403191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.403191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.403191 (E_RNA) where: Base-Base interactions energy: -540.587 where: short stacking energy: -238.006 Base-Backbone interact. energy: -0.440 local terms energy: -313.376315 where: bonds (distance) C4'-P energy: -71.476 bonds (distance) P-C4' energy: -75.600 flat angles C4'-P-C4' energy: -67.270 flat angles P-C4'-P energy: -43.523 tors. eta vs tors. theta energy: -55.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -729.484972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.484972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.484972 (E_RNA) where: Base-Base interactions energy: -431.535 where: short stacking energy: -213.268 Base-Backbone interact. energy: -0.892 local terms energy: -297.057685 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -68.190 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: -55.879 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: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -596.249971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.249971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.249971 (E_RNA) where: Base-Base interactions energy: -354.598 where: short stacking energy: -174.615 Base-Backbone interact. energy: -1.469 local terms energy: -240.182557 where: bonds (distance) C4'-P energy: -59.992 bonds (distance) P-C4' energy: -61.877 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -30.850 tors. eta vs tors. theta energy: -27.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -583.029845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.029845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.029845 (E_RNA) where: Base-Base interactions energy: -361.848 where: short stacking energy: -181.880 Base-Backbone interact. energy: -0.833 local terms energy: -220.349111 where: bonds (distance) C4'-P energy: -52.826 bonds (distance) P-C4' energy: -54.318 flat angles C4'-P-C4' energy: -55.108 flat angles P-C4'-P energy: -31.100 tors. eta vs tors. theta energy: -26.997 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: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -313.154204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.154204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.154204 (E_RNA) where: Base-Base interactions energy: -111.620 where: short stacking energy: -69.838 Base-Backbone interact. energy: -1.351 local terms energy: -200.183583 where: bonds (distance) C4'-P energy: -61.985 bonds (distance) P-C4' energy: -56.338 flat angles C4'-P-C4' energy: -53.625 flat angles P-C4'-P energy: -36.116 tors. eta vs tors. theta energy: 7.880 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: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -285.820182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.820182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.820182 (E_RNA) where: Base-Base interactions energy: -113.414 where: short stacking energy: -97.719 Base-Backbone interact. energy: -0.479 local terms energy: -171.927053 where: bonds (distance) C4'-P energy: -59.633 bonds (distance) P-C4' energy: -52.308 flat angles C4'-P-C4' energy: -32.609 flat angles P-C4'-P energy: -30.135 tors. eta vs tors. theta energy: 2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1132.979785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.979785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.979785 (E_RNA) where: Base-Base interactions energy: -772.587 where: short stacking energy: -346.459 Base-Backbone interact. energy: -1.359 local terms energy: -359.033852 where: bonds (distance) C4'-P energy: -70.706 bonds (distance) P-C4' energy: -68.176 flat angles C4'-P-C4' energy: -74.210 flat angles P-C4'-P energy: -47.082 tors. eta vs tors. theta energy: -98.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1027.577459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.577459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.577459 (E_RNA) where: Base-Base interactions energy: -670.126 where: short stacking energy: -312.846 Base-Backbone interact. energy: -0.642 local terms energy: -356.808698 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -71.605 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -90.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1036.215563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.215563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.215563 (E_RNA) where: Base-Base interactions energy: -695.294 where: short stacking energy: -284.338 Base-Backbone interact. energy: -0.806 local terms energy: -340.115304 where: bonds (distance) C4'-P energy: -66.827 bonds (distance) P-C4' energy: -68.919 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -45.098 tors. eta vs tors. theta energy: -92.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -913.032762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.032762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.032762 (E_RNA) where: Base-Base interactions energy: -607.258 where: short stacking energy: -249.765 Base-Backbone interact. energy: -1.059 local terms energy: -304.716623 where: bonds (distance) C4'-P energy: -62.673 bonds (distance) P-C4' energy: -63.726 flat angles C4'-P-C4' energy: -66.637 flat angles P-C4'-P energy: -48.730 tors. eta vs tors. theta energy: -62.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -817.560438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.560438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.560438 (E_RNA) where: Base-Base interactions energy: -537.972 where: short stacking energy: -245.845 Base-Backbone interact. energy: -0.357 local terms energy: -279.231584 where: bonds (distance) C4'-P energy: -62.597 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -62.015 flat angles P-C4'-P energy: -27.582 tors. eta vs tors. theta energy: -61.352 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: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -732.739195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.739195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.739195 (E_RNA) where: Base-Base interactions energy: -445.597 where: short stacking energy: -225.925 Base-Backbone interact. energy: -1.154 local terms energy: -285.988659 where: bonds (distance) C4'-P energy: -50.537 bonds (distance) P-C4' energy: -65.673 flat angles C4'-P-C4' energy: -67.982 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: -61.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -582.564580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.564580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.564580 (E_RNA) where: Base-Base interactions energy: -336.726 where: short stacking energy: -168.488 Base-Backbone interact. energy: -2.600 local terms energy: -243.238166 where: bonds (distance) C4'-P energy: -46.188 bonds (distance) P-C4' energy: -54.515 flat angles C4'-P-C4' energy: -68.016 flat angles P-C4'-P energy: -39.133 tors. eta vs tors. theta energy: -35.387 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: 136 Temperature: 1.250000 Total energy: -546.556042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.556042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.556042 (E_RNA) where: Base-Base interactions energy: -303.369 where: short stacking energy: -172.743 Base-Backbone interact. energy: -1.830 local terms energy: -241.357705 where: bonds (distance) C4'-P energy: -51.707 bonds (distance) P-C4' energy: -58.510 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -35.631 tors. eta vs tors. theta energy: -32.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -308.382017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.382017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.382017 (E_RNA) where: Base-Base interactions energy: -104.221 where: short stacking energy: -100.898 Base-Backbone interact. energy: 2.885 local terms energy: -207.045864 where: bonds (distance) C4'-P energy: -61.138 bonds (distance) P-C4' energy: -64.428 flat angles C4'-P-C4' energy: -59.638 flat angles P-C4'-P energy: -17.137 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -292.931502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.931502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.931502 (E_RNA) where: Base-Base interactions energy: -91.487 where: short stacking energy: -80.390 Base-Backbone interact. energy: -2.993 local terms energy: -198.451172 where: bonds (distance) C4'-P energy: -51.491 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -63.844 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: 12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1134.855219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.855219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.855219 (E_RNA) where: Base-Base interactions energy: -765.388 where: short stacking energy: -333.031 Base-Backbone interact. energy: -0.983 local terms energy: -368.484516 where: bonds (distance) C4'-P energy: -68.136 bonds (distance) P-C4' energy: -72.771 flat angles C4'-P-C4' energy: -79.126 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -96.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1096.916563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.916563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.916563 (E_RNA) where: Base-Base interactions energy: -736.928 where: short stacking energy: -331.199 Base-Backbone interact. energy: -2.873 local terms energy: -357.115068 where: bonds (distance) C4'-P energy: -70.039 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -70.706 flat angles P-C4'-P energy: -40.740 tors. eta vs tors. theta energy: -100.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1048.340653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.340653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.340653 (E_RNA) where: Base-Base interactions energy: -713.263 where: short stacking energy: -322.866 Base-Backbone interact. energy: -2.534 local terms energy: -332.543972 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -75.268 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -44.613 tors. eta vs tors. theta energy: -93.401 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: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -922.719817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.719817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.719817 (E_RNA) where: Base-Base interactions energy: -613.541 where: short stacking energy: -269.715 Base-Backbone interact. energy: -1.249 local terms energy: -307.930387 where: bonds (distance) C4'-P energy: -56.285 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -72.148 flat angles P-C4'-P energy: -44.842 tors. eta vs tors. theta energy: -72.247 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: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -852.176519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.176519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.176519 (E_RNA) where: Base-Base interactions energy: -563.692 where: short stacking energy: -257.469 Base-Backbone interact. energy: -0.351 local terms energy: -288.134251 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -35.674 tors. eta vs tors. theta energy: -66.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -773.783409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.783409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.783409 (E_RNA) where: Base-Base interactions energy: -496.902 where: short stacking energy: -246.046 Base-Backbone interact. energy: 3.154 local terms energy: -280.035052 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -57.854 flat angles C4'-P-C4' energy: -67.522 flat angles P-C4'-P energy: -36.510 tors. eta vs tors. theta energy: -56.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -544.065373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.065373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.065373 (E_RNA) where: Base-Base interactions energy: -295.057 where: short stacking energy: -156.303 Base-Backbone interact. energy: 0.252 local terms energy: -249.260363 where: bonds (distance) C4'-P energy: -60.953 bonds (distance) P-C4' energy: -67.040 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -32.798 tors. eta vs tors. theta energy: -27.643 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: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -573.724332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.724332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.724332 (E_RNA) where: Base-Base interactions energy: -323.467 where: short stacking energy: -167.037 Base-Backbone interact. energy: 1.499 local terms energy: -251.756478 where: bonds (distance) C4'-P energy: -63.831 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -60.655 flat angles P-C4'-P energy: -29.796 tors. eta vs tors. theta energy: -37.800 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: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -316.188939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.188939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.188939 (E_RNA) where: Base-Base interactions energy: -138.465 where: short stacking energy: -82.979 Base-Backbone interact. energy: -1.688 local terms energy: -176.035339 where: bonds (distance) C4'-P energy: -56.866 bonds (distance) P-C4' energy: -51.748 flat angles C4'-P-C4' energy: -51.434 flat angles P-C4'-P energy: -28.355 tors. eta vs tors. theta energy: 12.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -316.462341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.462341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.462341 (E_RNA) where: Base-Base interactions energy: -111.345 where: short stacking energy: -105.100 Base-Backbone interact. energy: -0.244 local terms energy: -204.872984 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -57.809 flat angles C4'-P-C4' energy: -42.765 flat angles P-C4'-P energy: -36.273 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1149.828210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.828210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.828210 (E_RNA) where: Base-Base interactions energy: -779.008 where: short stacking energy: -336.729 Base-Backbone interact. energy: -0.555 local terms energy: -370.264872 where: bonds (distance) C4'-P energy: -71.176 bonds (distance) P-C4' energy: -68.106 flat angles C4'-P-C4' energy: -79.917 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -95.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1065.295604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.295604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.295604 (E_RNA) where: Base-Base interactions energy: -725.324 where: short stacking energy: -309.662 Base-Backbone interact. energy: -3.612 local terms energy: -336.359896 where: bonds (distance) C4'-P energy: -59.743 bonds (distance) P-C4' energy: -77.889 flat angles C4'-P-C4' energy: -69.010 flat angles P-C4'-P energy: -37.402 tors. eta vs tors. theta energy: -92.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1011.553662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.553662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.553662 (E_RNA) where: Base-Base interactions energy: -685.119 where: short stacking energy: -316.454 Base-Backbone interact. energy: -2.704 local terms energy: -323.731375 where: bonds (distance) C4'-P energy: -56.431 bonds (distance) P-C4' energy: -69.356 flat angles C4'-P-C4' energy: -62.525 flat angles P-C4'-P energy: -43.493 tors. eta vs tors. theta energy: -91.926 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: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -923.382443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.382443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.382443 (E_RNA) where: Base-Base interactions energy: -611.980 where: short stacking energy: -258.894 Base-Backbone interact. energy: -2.276 local terms energy: -309.126348 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -39.930 tors. eta vs tors. theta energy: -73.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -844.766408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.766408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.766408 (E_RNA) where: Base-Base interactions energy: -528.677 where: short stacking energy: -270.257 Base-Backbone interact. energy: -0.754 local terms energy: -315.335593 where: bonds (distance) C4'-P energy: -66.657 bonds (distance) P-C4' energy: -63.843 flat angles C4'-P-C4' energy: -61.091 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -81.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -745.012968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.012968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.012968 (E_RNA) where: Base-Base interactions energy: -472.715 where: short stacking energy: -225.063 Base-Backbone interact. energy: -3.062 local terms energy: -269.236129 where: bonds (distance) C4'-P energy: -57.490 bonds (distance) P-C4' energy: -62.819 flat angles C4'-P-C4' energy: -49.766 flat angles P-C4'-P energy: -42.446 tors. eta vs tors. theta energy: -56.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -620.708855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.708855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.708855 (E_RNA) where: Base-Base interactions energy: -358.956 where: short stacking energy: -183.082 Base-Backbone interact. energy: -0.955 local terms energy: -260.797492 where: bonds (distance) C4'-P energy: -71.685 bonds (distance) P-C4' energy: -61.557 flat angles C4'-P-C4' energy: -59.736 flat angles P-C4'-P energy: -29.352 tors. eta vs tors. theta energy: -38.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -559.789176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.789176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.789176 (E_RNA) where: Base-Base interactions energy: -322.234 where: short stacking energy: -172.713 Base-Backbone interact. energy: -1.237 local terms energy: -236.318124 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -59.635 flat angles C4'-P-C4' energy: -52.297 flat angles P-C4'-P energy: -35.264 tors. eta vs tors. theta energy: -29.900 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: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -312.113057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.113057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.113057 (E_RNA) where: Base-Base interactions energy: -102.526 where: short stacking energy: -97.316 Base-Backbone interact. energy: 1.361 local terms energy: -210.948157 where: bonds (distance) C4'-P energy: -57.117 bonds (distance) P-C4' energy: -65.755 flat angles C4'-P-C4' energy: -57.500 flat angles P-C4'-P energy: -31.847 tors. eta vs tors. theta energy: 1.271 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: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -279.954342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.954342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.954342 (E_RNA) where: Base-Base interactions energy: -97.783 where: short stacking energy: -80.164 Base-Backbone interact. energy: -1.582 local terms energy: -180.589359 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -54.330 flat angles C4'-P-C4' energy: -38.019 flat angles P-C4'-P energy: -33.705 tors. eta vs tors. theta energy: 5.979 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: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1143.589548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.589548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.589548 (E_RNA) where: Base-Base interactions energy: -776.688 where: short stacking energy: -337.507 Base-Backbone interact. energy: -2.495 local terms energy: -364.406658 where: bonds (distance) C4'-P energy: -73.479 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -75.788 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -98.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1085.930346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.930346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.930346 (E_RNA) where: Base-Base interactions energy: -730.039 where: short stacking energy: -327.800 Base-Backbone interact. energy: -1.148 local terms energy: -354.743337 where: bonds (distance) C4'-P energy: -67.465 bonds (distance) P-C4' energy: -72.856 flat angles C4'-P-C4' energy: -71.149 flat angles P-C4'-P energy: -51.528 tors. eta vs tors. theta energy: -91.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1022.177824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.177824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.177824 (E_RNA) where: Base-Base interactions energy: -693.546 where: short stacking energy: -321.866 Base-Backbone interact. energy: -1.871 local terms energy: -326.761089 where: bonds (distance) C4'-P energy: -48.198 bonds (distance) P-C4' energy: -66.385 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -55.881 tors. eta vs tors. theta energy: -85.217 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: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -918.104683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.104683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.104683 (E_RNA) where: Base-Base interactions energy: -620.186 where: short stacking energy: -281.894 Base-Backbone interact. energy: -1.018 local terms energy: -296.900766 where: bonds (distance) C4'-P energy: -56.975 bonds (distance) P-C4' energy: -59.121 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -42.482 tors. eta vs tors. theta energy: -73.777 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: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -763.098027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.098027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.098027 (E_RNA) where: Base-Base interactions energy: -470.585 where: short stacking energy: -218.315 Base-Backbone interact. energy: -1.636 local terms energy: -290.876178 where: bonds (distance) C4'-P energy: -64.956 bonds (distance) P-C4' energy: -69.359 flat angles C4'-P-C4' energy: -63.546 flat angles P-C4'-P energy: -48.582 tors. eta vs tors. theta energy: -44.433 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: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -765.289488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.289488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.289488 (E_RNA) where: Base-Base interactions energy: -491.084 where: short stacking energy: -240.227 Base-Backbone interact. energy: 0.906 local terms energy: -275.110878 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -56.280 flat angles P-C4'-P energy: -36.527 tors. eta vs tors. theta energy: -61.719 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: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -594.183934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.183934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.183934 (E_RNA) where: Base-Base interactions energy: -346.211 where: short stacking energy: -159.367 Base-Backbone interact. energy: -2.232 local terms energy: -245.741610 where: bonds (distance) C4'-P energy: -51.184 bonds (distance) P-C4' energy: -60.368 flat angles C4'-P-C4' energy: -60.322 flat angles P-C4'-P energy: -38.052 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: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -527.092662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.092662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.092662 (E_RNA) where: Base-Base interactions energy: -298.639 where: short stacking energy: -146.298 Base-Backbone interact. energy: -2.162 local terms energy: -226.291778 where: bonds (distance) C4'-P energy: -54.411 bonds (distance) P-C4' energy: -67.752 flat angles C4'-P-C4' energy: -58.819 flat angles P-C4'-P energy: -32.924 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -330.120146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.120146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.120146 (E_RNA) where: Base-Base interactions energy: -117.046 where: short stacking energy: -98.768 Base-Backbone interact. energy: 1.754 local terms energy: -214.828378 where: bonds (distance) C4'-P energy: -63.415 bonds (distance) P-C4' energy: -54.745 flat angles C4'-P-C4' energy: -61.554 flat angles P-C4'-P energy: -28.470 tors. eta vs tors. theta energy: -6.645 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: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -287.874371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.874371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.874371 (E_RNA) where: Base-Base interactions energy: -99.486 where: short stacking energy: -75.703 Base-Backbone interact. energy: -1.416 local terms energy: -186.972317 where: bonds (distance) C4'-P energy: -63.365 bonds (distance) P-C4' energy: -61.146 flat angles C4'-P-C4' energy: -39.263 flat angles P-C4'-P energy: -28.710 tors. eta vs tors. theta energy: 5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1141.736632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.736632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.736632 (E_RNA) where: Base-Base interactions energy: -772.672 where: short stacking energy: -336.805 Base-Backbone interact. energy: -3.018 local terms energy: -366.046279 where: bonds (distance) C4'-P energy: -68.532 bonds (distance) P-C4' energy: -68.352 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -93.646 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: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1104.019427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.019427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.019427 (E_RNA) where: Base-Base interactions energy: -748.959 where: short stacking energy: -325.534 Base-Backbone interact. energy: -2.281 local terms energy: -352.779312 where: bonds (distance) C4'-P energy: -69.952 bonds (distance) P-C4' energy: -66.351 flat angles C4'-P-C4' energy: -78.155 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -91.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1039.191300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.191300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.191300 (E_RNA) where: Base-Base interactions energy: -707.279 where: short stacking energy: -320.350 Base-Backbone interact. energy: 2.205 local terms energy: -334.117619 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -57.612 flat angles C4'-P-C4' energy: -69.950 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -94.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -945.952503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.952503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.952503 (E_RNA) where: Base-Base interactions energy: -649.871 where: short stacking energy: -284.643 Base-Backbone interact. energy: -0.340 local terms energy: -295.741798 where: bonds (distance) C4'-P energy: -60.401 bonds (distance) P-C4' energy: -58.225 flat angles C4'-P-C4' energy: -67.208 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -74.746 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: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -779.259022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.259022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.259022 (E_RNA) where: Base-Base interactions energy: -491.057 where: short stacking energy: -238.561 Base-Backbone interact. energy: -0.611 local terms energy: -287.591544 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -50.422 flat angles C4'-P-C4' energy: -60.252 flat angles P-C4'-P energy: -49.706 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: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -740.552064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.552064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.552064 (E_RNA) where: Base-Base interactions energy: -461.400 where: short stacking energy: -216.096 Base-Backbone interact. energy: -1.468 local terms energy: -277.683761 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -56.323 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: -54.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -577.872864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.872864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.872864 (E_RNA) where: Base-Base interactions energy: -340.574 where: short stacking energy: -168.298 Base-Backbone interact. energy: -0.963 local terms energy: -236.335418 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -54.607 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -24.176 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: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -490.124997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.124997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.124997 (E_RNA) where: Base-Base interactions energy: -287.812 where: short stacking energy: -133.404 Base-Backbone interact. energy: -0.898 local terms energy: -201.415144 where: bonds (distance) C4'-P energy: -57.606 bonds (distance) P-C4' energy: -68.403 flat angles C4'-P-C4' energy: -44.769 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: 5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -291.315919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.315919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.315919 (E_RNA) where: Base-Base interactions energy: -106.545 where: short stacking energy: -87.766 Base-Backbone interact. energy: -1.574 local terms energy: -183.197042 where: bonds (distance) C4'-P energy: -45.801 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -52.037 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: 13.867 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: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -320.629220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.629220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.629220 (E_RNA) where: Base-Base interactions energy: -125.027 where: short stacking energy: -111.113 Base-Backbone interact. energy: -0.780 local terms energy: -194.822324 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -48.918 flat angles C4'-P-C4' energy: -48.250 flat angles P-C4'-P energy: -31.208 tors. eta vs tors. theta energy: 2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1129.994277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.994277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.994277 (E_RNA) where: Base-Base interactions energy: -766.941 where: short stacking energy: -327.363 Base-Backbone interact. energy: -1.291 local terms energy: -361.761906 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -76.014 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -91.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1090.834786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.834786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.834786 (E_RNA) where: Base-Base interactions energy: -724.145 where: short stacking energy: -337.667 Base-Backbone interact. energy: -4.305 local terms energy: -362.383841 where: bonds (distance) C4'-P energy: -73.401 bonds (distance) P-C4' energy: -70.326 flat angles C4'-P-C4' energy: -80.508 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -94.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1044.065139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.065139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.065139 (E_RNA) where: Base-Base interactions energy: -701.682 where: short stacking energy: -328.722 Base-Backbone interact. energy: -0.359 local terms energy: -342.024476 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -67.795 flat angles C4'-P-C4' energy: -67.463 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -97.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -964.045727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.045727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.045727 (E_RNA) where: Base-Base interactions energy: -661.232 where: short stacking energy: -276.669 Base-Backbone interact. energy: -2.181 local terms energy: -300.632628 where: bonds (distance) C4'-P energy: -55.830 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -70.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -786.062771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.062771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.062771 (E_RNA) where: Base-Base interactions energy: -491.976 where: short stacking energy: -247.976 Base-Backbone interact. energy: -0.421 local terms energy: -293.664995 where: bonds (distance) C4'-P energy: -61.442 bonds (distance) P-C4' energy: -51.618 flat angles C4'-P-C4' energy: -70.603 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -56.807 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: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -757.586191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.586191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.586191 (E_RNA) where: Base-Base interactions energy: -494.496 where: short stacking energy: -217.361 Base-Backbone interact. energy: -0.835 local terms energy: -262.255003 where: bonds (distance) C4'-P energy: -54.984 bonds (distance) P-C4' energy: -61.735 flat angles C4'-P-C4' energy: -58.307 flat angles P-C4'-P energy: -31.398 tors. eta vs tors. theta energy: -55.831 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: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -602.174855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.174855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.174855 (E_RNA) where: Base-Base interactions energy: -353.054 where: short stacking energy: -164.999 Base-Backbone interact. energy: -1.275 local terms energy: -247.846016 where: bonds (distance) C4'-P energy: -62.595 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -52.685 flat angles P-C4'-P energy: -46.714 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: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -456.887585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.887585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.887585 (E_RNA) where: Base-Base interactions energy: -237.626 where: short stacking energy: -116.855 Base-Backbone interact. energy: 0.706 local terms energy: -219.967649 where: bonds (distance) C4'-P energy: -51.862 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -60.013 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -339.036669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.036669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.036669 (E_RNA) where: Base-Base interactions energy: -151.758 where: short stacking energy: -116.548 Base-Backbone interact. energy: 2.565 local terms energy: -189.843779 where: bonds (distance) C4'-P energy: -54.984 bonds (distance) P-C4' energy: -62.964 flat angles C4'-P-C4' energy: -26.623 flat angles P-C4'-P energy: -43.582 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -289.595893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.595893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.595893 (E_RNA) where: Base-Base interactions energy: -92.825 where: short stacking energy: -83.703 Base-Backbone interact. energy: -1.556 local terms energy: -195.215085 where: bonds (distance) C4'-P energy: -58.067 bonds (distance) P-C4' energy: -59.032 flat angles C4'-P-C4' energy: -53.232 flat angles P-C4'-P energy: -23.797 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1110.947484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.947484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.947484 (E_RNA) where: Base-Base interactions energy: -733.279 where: short stacking energy: -346.894 Base-Backbone interact. energy: -2.571 local terms energy: -375.096853 where: bonds (distance) C4'-P energy: -72.967 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -102.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1098.251568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.251568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.251568 (E_RNA) where: Base-Base interactions energy: -751.513 where: short stacking energy: -339.402 Base-Backbone interact. energy: -2.402 local terms energy: -344.336844 where: bonds (distance) C4'-P energy: -65.748 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -77.046 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -97.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1069.112768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.112768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.112768 (E_RNA) where: Base-Base interactions energy: -714.663 where: short stacking energy: -319.773 Base-Backbone interact. energy: -1.507 local terms energy: -352.942891 where: bonds (distance) C4'-P energy: -60.882 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -76.274 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -100.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -953.778991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.778991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.778991 (E_RNA) where: Base-Base interactions energy: -638.287 where: short stacking energy: -269.824 Base-Backbone interact. energy: -1.649 local terms energy: -313.842623 where: bonds (distance) C4'-P energy: -63.731 bonds (distance) P-C4' energy: -70.649 flat angles C4'-P-C4' energy: -62.606 flat angles P-C4'-P energy: -47.217 tors. eta vs tors. theta energy: -69.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -765.898727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.898727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.898727 (E_RNA) where: Base-Base interactions energy: -463.997 where: short stacking energy: -218.076 Base-Backbone interact. energy: -1.441 local terms energy: -300.460265 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -73.638 flat angles P-C4'-P energy: -38.461 tors. eta vs tors. theta energy: -55.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -749.743776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.743776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.743776 (E_RNA) where: Base-Base interactions energy: -478.274 where: short stacking energy: -210.434 Base-Backbone interact. energy: 1.348 local terms energy: -272.817533 where: bonds (distance) C4'-P energy: -64.678 bonds (distance) P-C4' energy: -61.902 flat angles C4'-P-C4' energy: -59.072 flat angles P-C4'-P energy: -47.039 tors. eta vs tors. theta energy: -40.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -635.111568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.111568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.111568 (E_RNA) where: Base-Base interactions energy: -372.996 where: short stacking energy: -215.506 Base-Backbone interact. energy: -1.396 local terms energy: -260.719146 where: bonds (distance) C4'-P energy: -61.187 bonds (distance) P-C4' energy: -59.660 flat angles C4'-P-C4' energy: -56.883 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: -50.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -412.109080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.109080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.109080 (E_RNA) where: Base-Base interactions energy: -212.833 where: short stacking energy: -107.922 Base-Backbone interact. energy: -2.325 local terms energy: -196.951010 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -56.456 flat angles C4'-P-C4' energy: -51.869 flat angles P-C4'-P energy: -32.666 tors. eta vs tors. theta energy: 2.028 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: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -316.795015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.795015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.795015 (E_RNA) where: Base-Base interactions energy: -144.044 where: short stacking energy: -103.243 Base-Backbone interact. energy: -1.483 local terms energy: -171.267177 where: bonds (distance) C4'-P energy: -46.241 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -41.457 flat angles P-C4'-P energy: -28.913 tors. eta vs tors. theta energy: 2.122 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: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -286.440934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.440934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.440934 (E_RNA) where: Base-Base interactions energy: -88.554 where: short stacking energy: -82.498 Base-Backbone interact. energy: 6.401 local terms energy: -204.288274 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -57.050 flat angles C4'-P-C4' energy: -49.643 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1125.423996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.423996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.423996 (E_RNA) where: Base-Base interactions energy: -752.593 where: short stacking energy: -360.146 Base-Backbone interact. energy: -1.453 local terms energy: -371.377915 where: bonds (distance) C4'-P energy: -69.315 bonds (distance) P-C4' energy: -70.978 flat angles C4'-P-C4' energy: -74.268 flat angles P-C4'-P energy: -52.460 tors. eta vs tors. theta energy: -104.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1091.332731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.332731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.332731 (E_RNA) where: Base-Base interactions energy: -734.308 where: short stacking energy: -312.134 Base-Backbone interact. energy: 0.934 local terms energy: -357.959184 where: bonds (distance) C4'-P energy: -70.955 bonds (distance) P-C4' energy: -65.495 flat angles C4'-P-C4' energy: -76.312 flat angles P-C4'-P energy: -52.294 tors. eta vs tors. theta energy: -92.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1045.280947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.280947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.280947 (E_RNA) where: Base-Base interactions energy: -701.694 where: short stacking energy: -320.370 Base-Backbone interact. energy: 0.151 local terms energy: -343.738521 where: bonds (distance) C4'-P energy: -57.113 bonds (distance) P-C4' energy: -66.527 flat angles C4'-P-C4' energy: -80.544 flat angles P-C4'-P energy: -39.981 tors. eta vs tors. theta energy: -99.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -955.384427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.384427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.384427 (E_RNA) where: Base-Base interactions energy: -633.281 where: short stacking energy: -263.668 Base-Backbone interact. energy: -0.958 local terms energy: -321.144671 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -71.531 flat angles C4'-P-C4' energy: -65.427 flat angles P-C4'-P energy: -43.804 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: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -771.613017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.613017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.613017 (E_RNA) where: Base-Base interactions energy: -456.981 where: short stacking energy: -204.488 Base-Backbone interact. energy: -0.895 local terms energy: -313.737258 where: bonds (distance) C4'-P energy: -71.016 bonds (distance) P-C4' energy: -65.955 flat angles C4'-P-C4' energy: -67.071 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -57.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -762.023130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.023130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.023130 (E_RNA) where: Base-Base interactions energy: -481.863 where: short stacking energy: -226.682 Base-Backbone interact. energy: -0.846 local terms energy: -279.314967 where: bonds (distance) C4'-P energy: -67.660 bonds (distance) P-C4' energy: -66.040 flat angles C4'-P-C4' energy: -58.922 flat angles P-C4'-P energy: -36.939 tors. eta vs tors. theta energy: -49.754 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: 143 Temperature: 1.200000 Total energy: -605.719818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.719818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.719818 (E_RNA) where: Base-Base interactions energy: -360.726 where: short stacking energy: -183.450 Base-Backbone interact. energy: -1.074 local terms energy: -243.920210 where: bonds (distance) C4'-P energy: -44.819 bonds (distance) P-C4' energy: -41.964 flat angles C4'-P-C4' energy: -67.199 flat angles P-C4'-P energy: -47.530 tors. eta vs tors. theta energy: -42.408 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: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -421.783562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.783562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.783562 (E_RNA) where: Base-Base interactions energy: -186.464 where: short stacking energy: -127.597 Base-Backbone interact. energy: -0.435 local terms energy: -234.885081 where: bonds (distance) C4'-P energy: -63.113 bonds (distance) P-C4' energy: -67.320 flat angles C4'-P-C4' energy: -61.914 flat angles P-C4'-P energy: -28.569 tors. eta vs tors. theta energy: -13.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -297.674764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.674764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.674764 (E_RNA) where: Base-Base interactions energy: -118.595 where: short stacking energy: -94.833 Base-Backbone interact. energy: -0.347 local terms energy: -178.732883 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -40.887 flat angles P-C4'-P energy: -26.778 tors. eta vs tors. theta energy: 5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -282.383475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.383475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.383475 (E_RNA) where: Base-Base interactions energy: -95.729 where: short stacking energy: -81.771 Base-Backbone interact. energy: -2.228 local terms energy: -184.426492 where: bonds (distance) C4'-P energy: -56.418 bonds (distance) P-C4' energy: -53.652 flat angles C4'-P-C4' energy: -51.075 flat angles P-C4'-P energy: -30.611 tors. eta vs tors. theta energy: 7.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1117.332754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.332754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.332754 (E_RNA) where: Base-Base interactions energy: -736.613 where: short stacking energy: -357.619 Base-Backbone interact. energy: -1.997 local terms energy: -378.722060 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -71.230 flat angles C4'-P-C4' energy: -79.370 flat angles P-C4'-P energy: -52.141 tors. eta vs tors. theta energy: -103.430 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: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1093.755648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.755648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.755648 (E_RNA) where: Base-Base interactions energy: -745.290 where: short stacking energy: -320.175 Base-Backbone interact. energy: -3.263 local terms energy: -345.202980 where: bonds (distance) C4'-P energy: -65.270 bonds (distance) P-C4' energy: -58.935 flat angles C4'-P-C4' energy: -79.213 flat angles P-C4'-P energy: -47.983 tors. eta vs tors. theta energy: -93.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1060.735698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.735698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.735698 (E_RNA) where: Base-Base interactions energy: -714.244 where: short stacking energy: -322.109 Base-Backbone interact. energy: -3.236 local terms energy: -343.255166 where: bonds (distance) C4'-P energy: -59.053 bonds (distance) P-C4' energy: -63.680 flat angles C4'-P-C4' energy: -72.644 flat angles P-C4'-P energy: -50.317 tors. eta vs tors. theta energy: -97.561 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: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -948.715215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.715215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.715215 (E_RNA) where: Base-Base interactions energy: -644.709 where: short stacking energy: -253.171 Base-Backbone interact. energy: -0.340 local terms energy: -303.665413 where: bonds (distance) C4'-P energy: -53.773 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -66.593 flat angles P-C4'-P energy: -46.286 tors. eta vs tors. theta energy: -67.083 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: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -814.452560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.452560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.452560 (E_RNA) where: Base-Base interactions energy: -510.797 where: short stacking energy: -269.715 Base-Backbone interact. energy: 1.239 local terms energy: -304.895157 where: bonds (distance) C4'-P energy: -59.063 bonds (distance) P-C4' energy: -71.053 flat angles C4'-P-C4' energy: -58.849 flat angles P-C4'-P energy: -40.703 tors. eta vs tors. theta energy: -75.227 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: 6, replica: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -727.728834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.728834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.728834 (E_RNA) where: Base-Base interactions energy: -451.963 where: short stacking energy: -211.821 Base-Backbone interact. energy: -0.165 local terms energy: -275.600885 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -62.736 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -45.335 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: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -659.681810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.681810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.681810 (E_RNA) where: Base-Base interactions energy: -398.115 where: short stacking energy: -200.316 Base-Backbone interact. energy: -0.214 local terms energy: -261.352927 where: bonds (distance) C4'-P energy: -65.161 bonds (distance) P-C4' energy: -57.258 flat angles C4'-P-C4' energy: -57.450 flat angles P-C4'-P energy: -40.512 tors. eta vs tors. theta energy: -40.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -414.402631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.402631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.402631 (E_RNA) where: Base-Base interactions energy: -181.033 where: short stacking energy: -122.615 Base-Backbone interact. energy: -0.027 local terms energy: -233.343024 where: bonds (distance) C4'-P energy: -48.939 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -66.897 flat angles P-C4'-P energy: -29.093 tors. eta vs tors. theta energy: -23.446 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: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -365.883871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.883871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.883871 (E_RNA) where: Base-Base interactions energy: -161.950 where: short stacking energy: -114.579 Base-Backbone interact. energy: 0.081 local terms energy: -204.014448 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -53.298 flat angles C4'-P-C4' energy: -54.513 flat angles P-C4'-P energy: -25.181 tors. eta vs tors. theta energy: -3.784 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: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -295.563962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.563962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.563962 (E_RNA) where: Base-Base interactions energy: -128.765 where: short stacking energy: -86.020 Base-Backbone interact. energy: -0.082 local terms energy: -166.716724 where: bonds (distance) C4'-P energy: -49.129 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -53.519 flat angles P-C4'-P energy: -21.519 tors. eta vs tors. theta energy: 16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1103.298468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.298468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.298468 (E_RNA) where: Base-Base interactions energy: -730.856 where: short stacking energy: -323.260 Base-Backbone interact. energy: -3.666 local terms energy: -368.776859 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -71.180 flat angles C4'-P-C4' energy: -77.719 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -97.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1088.265213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.265213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.265213 (E_RNA) where: Base-Base interactions energy: -737.596 where: short stacking energy: -328.443 Base-Backbone interact. energy: -0.069 local terms energy: -350.600670 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -73.291 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -107.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1089.661497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.661497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.661497 (E_RNA) where: Base-Base interactions energy: -740.619 where: short stacking energy: -314.719 Base-Backbone interact. energy: -1.557 local terms energy: -347.485396 where: bonds (distance) C4'-P energy: -66.323 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -80.030 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: -89.959 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: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -947.647249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.647249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.647249 (E_RNA) where: Base-Base interactions energy: -626.170 where: short stacking energy: -259.764 Base-Backbone interact. energy: -2.124 local terms energy: -319.353268 where: bonds (distance) C4'-P energy: -72.620 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -62.807 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: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -855.337891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.337891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.337891 (E_RNA) where: Base-Base interactions energy: -556.284 where: short stacking energy: -256.268 Base-Backbone interact. energy: 0.806 local terms energy: -299.860310 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -64.109 flat angles C4'-P-C4' energy: -68.138 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: -74.866 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: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -760.225288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.225288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.225288 (E_RNA) where: Base-Base interactions energy: -495.050 where: short stacking energy: -239.656 Base-Backbone interact. energy: 2.342 local terms energy: -267.517179 where: bonds (distance) C4'-P energy: -52.992 bonds (distance) P-C4' energy: -53.262 flat angles C4'-P-C4' energy: -67.656 flat angles P-C4'-P energy: -38.145 tors. eta vs tors. theta energy: -55.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -656.683184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.683184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.683184 (E_RNA) where: Base-Base interactions energy: -392.031 where: short stacking energy: -181.203 Base-Backbone interact. energy: -1.985 local terms energy: -262.667262 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -62.004 flat angles C4'-P-C4' energy: -53.946 flat angles P-C4'-P energy: -36.750 tors. eta vs tors. theta energy: -52.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -422.832665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.832665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.832665 (E_RNA) where: Base-Base interactions energy: -196.106 where: short stacking energy: -127.339 Base-Backbone interact. energy: -1.412 local terms energy: -225.314400 where: bonds (distance) C4'-P energy: -57.593 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -52.388 flat angles P-C4'-P energy: -23.827 tors. eta vs tors. theta energy: -21.342 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: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -363.877640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.877640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.877640 (E_RNA) where: Base-Base interactions energy: -163.066 where: short stacking energy: -104.265 Base-Backbone interact. energy: -1.000 local terms energy: -199.811695 where: bonds (distance) C4'-P energy: -42.268 bonds (distance) P-C4' energy: -63.052 flat angles C4'-P-C4' energy: -52.142 flat angles P-C4'-P energy: -29.915 tors. eta vs tors. theta energy: -12.434 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: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -295.193007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.193007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.193007 (E_RNA) where: Base-Base interactions energy: -102.976 where: short stacking energy: -102.161 Base-Backbone interact. energy: 2.814 local terms energy: -195.030657 where: bonds (distance) C4'-P energy: -53.495 bonds (distance) P-C4' energy: -60.576 flat angles C4'-P-C4' energy: -50.095 flat angles P-C4'-P energy: -20.558 tors. eta vs tors. theta energy: -10.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1125.687005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.687005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.687005 (E_RNA) where: Base-Base interactions energy: -766.663 where: short stacking energy: -334.645 Base-Backbone interact. energy: -2.168 local terms energy: -356.856073 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -69.272 flat angles C4'-P-C4' energy: -69.792 flat angles P-C4'-P energy: -47.297 tors. eta vs tors. theta energy: -106.765 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: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1094.304589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.304589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.304589 (E_RNA) where: Base-Base interactions energy: -722.087 where: short stacking energy: -320.401 Base-Backbone interact. energy: -1.095 local terms energy: -371.122719 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -76.649 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -44.561 tors. eta vs tors. theta energy: -104.760 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: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1052.674959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.674959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.674959 (E_RNA) where: Base-Base interactions energy: -709.013 where: short stacking energy: -296.884 Base-Backbone interact. energy: -3.150 local terms energy: -340.511025 where: bonds (distance) C4'-P energy: -64.371 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -54.165 tors. eta vs tors. theta energy: -82.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -947.385189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.385189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.385189 (E_RNA) where: Base-Base interactions energy: -634.007 where: short stacking energy: -266.316 Base-Backbone interact. energy: 0.176 local terms energy: -313.553768 where: bonds (distance) C4'-P energy: -64.149 bonds (distance) P-C4' energy: -58.942 flat angles C4'-P-C4' energy: -71.530 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -67.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -866.784374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.784374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.784374 (E_RNA) where: Base-Base interactions energy: -563.249 where: short stacking energy: -246.981 Base-Backbone interact. energy: -0.491 local terms energy: -303.044838 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -59.152 flat angles C4'-P-C4' energy: -75.595 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: -68.677 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: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -750.912080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.912080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.912080 (E_RNA) where: Base-Base interactions energy: -477.400 where: short stacking energy: -211.514 Base-Backbone interact. energy: -0.034 local terms energy: -273.478161 where: bonds (distance) C4'-P energy: -62.540 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -69.030 flat angles P-C4'-P energy: -38.314 tors. eta vs tors. theta energy: -44.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -659.990877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.990877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.990877 (E_RNA) where: Base-Base interactions energy: -412.512 where: short stacking energy: -187.936 Base-Backbone interact. energy: -0.462 local terms energy: -247.017293 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -59.375 flat angles P-C4'-P energy: -34.881 tors. eta vs tors. theta energy: -36.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -391.928459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.928459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.928459 (E_RNA) where: Base-Base interactions energy: -195.242 where: short stacking energy: -131.483 Base-Backbone interact. energy: -0.550 local terms energy: -196.137096 where: bonds (distance) C4'-P energy: -59.150 bonds (distance) P-C4' energy: -49.731 flat angles C4'-P-C4' energy: -48.413 flat angles P-C4'-P energy: -34.482 tors. eta vs tors. theta energy: -4.361 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: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -356.620670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.620670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.620670 (E_RNA) where: Base-Base interactions energy: -123.857 where: short stacking energy: -103.423 Base-Backbone interact. energy: -1.737 local terms energy: -231.026862 where: bonds (distance) C4'-P energy: -58.704 bonds (distance) P-C4' energy: -66.710 flat angles C4'-P-C4' energy: -51.192 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -10.816 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: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -340.480747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.480747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.480747 (E_RNA) where: Base-Base interactions energy: -153.899 where: short stacking energy: -112.869 Base-Backbone interact. energy: 3.131 local terms energy: -189.712551 where: bonds (distance) C4'-P energy: -49.647 bonds (distance) P-C4' energy: -56.560 flat angles C4'-P-C4' energy: -52.760 flat angles P-C4'-P energy: -36.070 tors. eta vs tors. theta energy: 5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1107.736846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.736846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.736846 (E_RNA) where: Base-Base interactions energy: -733.207 where: short stacking energy: -323.974 Base-Backbone interact. energy: -1.590 local terms energy: -372.939730 where: bonds (distance) C4'-P energy: -70.556 bonds (distance) P-C4' energy: -70.020 flat angles C4'-P-C4' energy: -77.839 flat angles P-C4'-P energy: -56.879 tors. eta vs tors. theta energy: -97.646 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: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1084.944614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.944614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.944614 (E_RNA) where: Base-Base interactions energy: -717.013 where: short stacking energy: -326.044 Base-Backbone interact. energy: -1.688 local terms energy: -366.243523 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -71.186 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -47.200 tors. eta vs tors. theta energy: -105.586 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: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1068.379551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.379551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.379551 (E_RNA) where: Base-Base interactions energy: -722.178 where: short stacking energy: -304.788 Base-Backbone interact. energy: -3.187 local terms energy: -343.014269 where: bonds (distance) C4'-P energy: -68.655 bonds (distance) P-C4' energy: -63.042 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -47.377 tors. eta vs tors. theta energy: -95.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -913.597213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.597213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.597213 (E_RNA) where: Base-Base interactions energy: -596.629 where: short stacking energy: -257.985 Base-Backbone interact. energy: 1.461 local terms energy: -318.428799 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -74.909 flat angles P-C4'-P energy: -40.006 tors. eta vs tors. theta energy: -71.549 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: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -885.673632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.673632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.673632 (E_RNA) where: Base-Base interactions energy: -582.463 where: short stacking energy: -261.937 Base-Backbone interact. energy: -1.454 local terms energy: -301.756908 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -66.442 flat angles C4'-P-C4' energy: -68.914 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -69.643 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: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -741.247283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.247283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.247283 (E_RNA) where: Base-Base interactions energy: -456.613 where: short stacking energy: -215.965 Base-Backbone interact. energy: -1.674 local terms energy: -282.959674 where: bonds (distance) C4'-P energy: -62.868 bonds (distance) P-C4' energy: -62.699 flat angles C4'-P-C4' energy: -56.025 flat angles P-C4'-P energy: -42.551 tors. eta vs tors. theta energy: -58.816 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: 147 Temperature: 1.200000 Total energy: -652.617020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.617020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.617020 (E_RNA) where: Base-Base interactions energy: -421.772 where: short stacking energy: -200.041 Base-Backbone interact. energy: -2.142 local terms energy: -228.703583 where: bonds (distance) C4'-P energy: -45.362 bonds (distance) P-C4' energy: -62.135 flat angles C4'-P-C4' energy: -48.525 flat angles P-C4'-P energy: -29.998 tors. eta vs tors. theta energy: -42.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -403.524659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.524659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.524659 (E_RNA) where: Base-Base interactions energy: -175.492 where: short stacking energy: -94.399 Base-Backbone interact. energy: 4.723 local terms energy: -232.755826 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -66.827 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -34.845 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -346.585151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.585151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.585151 (E_RNA) where: Base-Base interactions energy: -154.887 where: short stacking energy: -101.773 Base-Backbone interact. energy: -0.814 local terms energy: -190.884197 where: bonds (distance) C4'-P energy: -51.525 bonds (distance) P-C4' energy: -61.679 flat angles C4'-P-C4' energy: -51.714 flat angles P-C4'-P energy: -25.550 tors. eta vs tors. theta energy: -0.416 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: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -278.218585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.218585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.218585 (E_RNA) where: Base-Base interactions energy: -83.195 where: short stacking energy: -78.211 Base-Backbone interact. energy: 3.623 local terms energy: -198.646378 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -64.870 flat angles C4'-P-C4' energy: -49.040 flat angles P-C4'-P energy: -28.766 tors. eta vs tors. theta energy: 2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1103.807993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.807993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.807993 (E_RNA) where: Base-Base interactions energy: -723.153 where: short stacking energy: -321.935 Base-Backbone interact. energy: -0.446 local terms energy: -380.209412 where: bonds (distance) C4'-P energy: -74.620 bonds (distance) P-C4' energy: -74.208 flat angles C4'-P-C4' energy: -78.935 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -101.855 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: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1096.330836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.330836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.330836 (E_RNA) where: Base-Base interactions energy: -708.100 where: short stacking energy: -347.049 Base-Backbone interact. energy: -4.177 local terms energy: -384.053747 where: bonds (distance) C4'-P energy: -73.074 bonds (distance) P-C4' energy: -68.056 flat angles C4'-P-C4' energy: -74.198 flat angles P-C4'-P energy: -57.443 tors. eta vs tors. theta energy: -111.284 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: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1083.086583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.086583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.086583 (E_RNA) where: Base-Base interactions energy: -749.190 where: short stacking energy: -320.714 Base-Backbone interact. energy: 5.085 local terms energy: -338.980885 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -62.288 flat angles C4'-P-C4' energy: -77.333 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: -93.735 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: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -931.736261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.736261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.736261 (E_RNA) where: Base-Base interactions energy: -615.001 where: short stacking energy: -278.071 Base-Backbone interact. energy: 2.577 local terms energy: -319.312245 where: bonds (distance) C4'-P energy: -67.237 bonds (distance) P-C4' energy: -58.965 flat angles C4'-P-C4' energy: -76.615 flat angles P-C4'-P energy: -43.756 tors. eta vs tors. theta energy: -72.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -881.753679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.753679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.753679 (E_RNA) where: Base-Base interactions energy: -567.916 where: short stacking energy: -257.989 Base-Backbone interact. energy: 0.561 local terms energy: -314.398481 where: bonds (distance) C4'-P energy: -51.265 bonds (distance) P-C4' energy: -56.418 flat angles C4'-P-C4' energy: -78.851 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -78.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -818.386197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.386197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.386197 (E_RNA) where: Base-Base interactions energy: -537.326 where: short stacking energy: -222.147 Base-Backbone interact. energy: -1.937 local terms energy: -279.123598 where: bonds (distance) C4'-P energy: -59.620 bonds (distance) P-C4' energy: -70.530 flat angles C4'-P-C4' energy: -60.146 flat angles P-C4'-P energy: -37.211 tors. eta vs tors. theta energy: -51.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -663.738459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.738459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.738459 (E_RNA) where: Base-Base interactions energy: -410.661 where: short stacking energy: -189.320 Base-Backbone interact. energy: 1.835 local terms energy: -254.912182 where: bonds (distance) C4'-P energy: -64.851 bonds (distance) P-C4' energy: -48.172 flat angles C4'-P-C4' energy: -60.595 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -43.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -407.905593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.905593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.905593 (E_RNA) where: Base-Base interactions energy: -202.146 where: short stacking energy: -125.471 Base-Backbone interact. energy: -0.397 local terms energy: -205.362210 where: bonds (distance) C4'-P energy: -45.062 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -60.431 flat angles P-C4'-P energy: -29.086 tors. eta vs tors. theta energy: -12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -355.977849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.977849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.977849 (E_RNA) where: Base-Base interactions energy: -137.732 where: short stacking energy: -115.766 Base-Backbone interact. energy: 0.498 local terms energy: -218.744523 where: bonds (distance) C4'-P energy: -62.053 bonds (distance) P-C4' energy: -66.847 flat angles C4'-P-C4' energy: -48.087 flat angles P-C4'-P energy: -35.168 tors. eta vs tors. theta energy: -6.590 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: 10, replica: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -294.509661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.509661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.509661 (E_RNA) where: Base-Base interactions energy: -93.650 where: short stacking energy: -86.370 Base-Backbone interact. energy: -0.799 local terms energy: -200.060805 where: bonds (distance) C4'-P energy: -53.652 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -50.541 flat angles P-C4'-P energy: -31.624 tors. eta vs tors. theta energy: 0.552 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1062.015718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.015718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.015718 (E_RNA) where: Base-Base interactions energy: -715.492 where: short stacking energy: -325.666 Base-Backbone interact. energy: -2.201 local terms energy: -344.322065 where: bonds (distance) C4'-P energy: -65.086 bonds (distance) P-C4' energy: -66.998 flat angles C4'-P-C4' energy: -69.026 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -90.698 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: 2 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1095.135459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.135459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.135459 (E_RNA) where: Base-Base interactions energy: -728.357 where: short stacking energy: -351.986 Base-Backbone interact. energy: -1.919 local terms energy: -364.859249 where: bonds (distance) C4'-P energy: -60.364 bonds (distance) P-C4' energy: -71.031 flat angles C4'-P-C4' energy: -74.784 flat angles P-C4'-P energy: -51.607 tors. eta vs tors. theta energy: -107.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1087.490237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.490237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.490237 (E_RNA) where: Base-Base interactions energy: -747.777 where: short stacking energy: -323.224 Base-Backbone interact. energy: -2.701 local terms energy: -337.012535 where: bonds (distance) C4'-P energy: -51.460 bonds (distance) P-C4' energy: -70.665 flat angles C4'-P-C4' energy: -81.847 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -82.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -941.159585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.159585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.159585 (E_RNA) where: Base-Base interactions energy: -614.154 where: short stacking energy: -286.356 Base-Backbone interact. energy: 0.747 local terms energy: -327.752630 where: bonds (distance) C4'-P energy: -69.609 bonds (distance) P-C4' energy: -69.879 flat angles C4'-P-C4' energy: -69.887 flat angles P-C4'-P energy: -52.549 tors. eta vs tors. theta energy: -65.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -900.175327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.175327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.175327 (E_RNA) where: Base-Base interactions energy: -572.735 where: short stacking energy: -264.453 Base-Backbone interact. energy: -0.983 local terms energy: -326.456873 where: bonds (distance) C4'-P energy: -60.684 bonds (distance) P-C4' energy: -66.432 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -45.068 tors. eta vs tors. theta energy: -79.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -804.188877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.188877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.188877 (E_RNA) where: Base-Base interactions energy: -525.555 where: short stacking energy: -216.496 Base-Backbone interact. energy: -0.278 local terms energy: -278.356271 where: bonds (distance) C4'-P energy: -51.728 bonds (distance) P-C4' energy: -64.538 flat angles C4'-P-C4' energy: -67.432 flat angles P-C4'-P energy: -43.928 tors. eta vs tors. theta energy: -50.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -636.587977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.587977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.587977 (E_RNA) where: Base-Base interactions energy: -382.150 where: short stacking energy: -191.149 Base-Backbone interact. energy: -2.447 local terms energy: -251.990855 where: bonds (distance) C4'-P energy: -46.268 bonds (distance) P-C4' energy: -63.342 flat angles C4'-P-C4' energy: -69.838 flat angles P-C4'-P energy: -27.456 tors. eta vs tors. theta energy: -45.087 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: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -430.525552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.525552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.525552 (E_RNA) where: Base-Base interactions energy: -215.420 where: short stacking energy: -132.400 Base-Backbone interact. energy: 0.034 local terms energy: -215.139286 where: bonds (distance) C4'-P energy: -56.373 bonds (distance) P-C4' energy: -65.642 flat angles C4'-P-C4' energy: -46.692 flat angles P-C4'-P energy: -24.944 tors. eta vs tors. theta energy: -21.489 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: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -294.212860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.212860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.212860 (E_RNA) where: Base-Base interactions energy: -92.445 where: short stacking energy: -85.906 Base-Backbone interact. energy: -0.216 local terms energy: -201.551813 where: bonds (distance) C4'-P energy: -59.322 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -54.936 flat angles P-C4'-P energy: -25.948 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -327.385292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.385292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.385292 (E_RNA) where: Base-Base interactions energy: -157.696 where: short stacking energy: -98.360 Base-Backbone interact. energy: 1.179 local terms energy: -170.868107 where: bonds (distance) C4'-P energy: -47.290 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -41.385 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: 7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1121.991874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.991874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.991874 (E_RNA) where: Base-Base interactions energy: -753.832 where: short stacking energy: -354.255 Base-Backbone interact. energy: -3.391 local terms energy: -364.768480 where: bonds (distance) C4'-P energy: -66.301 bonds (distance) P-C4' energy: -71.196 flat angles C4'-P-C4' energy: -76.335 flat angles P-C4'-P energy: -51.958 tors. eta vs tors. theta energy: -98.979 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: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1069.949983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.949983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.949983 (E_RNA) where: Base-Base interactions energy: -723.895 where: short stacking energy: -314.213 Base-Backbone interact. energy: -2.410 local terms energy: -343.644727 where: bonds (distance) C4'-P energy: -65.668 bonds (distance) P-C4' energy: -73.340 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -92.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1042.138270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.138270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.138270 (E_RNA) where: Base-Base interactions energy: -708.822 where: short stacking energy: -310.556 Base-Backbone interact. energy: -1.131 local terms energy: -332.185055 where: bonds (distance) C4'-P energy: -59.534 bonds (distance) P-C4' energy: -68.522 flat angles C4'-P-C4' energy: -67.733 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -88.679 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: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -937.525475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.525475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.525475 (E_RNA) where: Base-Base interactions energy: -621.634 where: short stacking energy: -268.653 Base-Backbone interact. energy: -0.078 local terms energy: -315.813394 where: bonds (distance) C4'-P energy: -71.842 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -63.495 flat angles P-C4'-P energy: -41.834 tors. eta vs tors. theta energy: -74.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -908.539510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.539510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.539510 (E_RNA) where: Base-Base interactions energy: -596.414 where: short stacking energy: -262.650 Base-Backbone interact. energy: -0.611 local terms energy: -311.514917 where: bonds (distance) C4'-P energy: -53.573 bonds (distance) P-C4' energy: -73.094 flat angles C4'-P-C4' energy: -64.305 flat angles P-C4'-P energy: -45.293 tors. eta vs tors. theta energy: -75.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -819.088924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.088924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.088924 (E_RNA) where: Base-Base interactions energy: -530.629 where: short stacking energy: -260.602 Base-Backbone interact. energy: 2.695 local terms energy: -291.155541 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -55.567 flat angles C4'-P-C4' energy: -65.518 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -69.347 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: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -630.986939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.986939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.986939 (E_RNA) where: Base-Base interactions energy: -373.959 where: short stacking energy: -179.415 Base-Backbone interact. energy: 1.789 local terms energy: -258.816730 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -70.066 flat angles P-C4'-P energy: -39.912 tors. eta vs tors. theta energy: -32.075 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: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -454.237874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.237874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.237874 (E_RNA) where: Base-Base interactions energy: -264.719 where: short stacking energy: -160.457 Base-Backbone interact. energy: 0.119 local terms energy: -189.638141 where: bonds (distance) C4'-P energy: -48.695 bonds (distance) P-C4' energy: -52.201 flat angles C4'-P-C4' energy: -46.945 flat angles P-C4'-P energy: -22.189 tors. eta vs tors. theta energy: -19.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -315.808024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.808024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.808024 (E_RNA) where: Base-Base interactions energy: -121.933 where: short stacking energy: -109.939 Base-Backbone interact. energy: 0.363 local terms energy: -194.237220 where: bonds (distance) C4'-P energy: -64.171 bonds (distance) P-C4' energy: -46.961 flat angles C4'-P-C4' energy: -55.472 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: 7.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -273.205346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.205346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.205346 (E_RNA) where: Base-Base interactions energy: -111.837 where: short stacking energy: -85.297 Base-Backbone interact. energy: -0.403 local terms energy: -160.965087 where: bonds (distance) C4'-P energy: -43.603 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -37.070 flat angles P-C4'-P energy: -21.955 tors. eta vs tors. theta energy: 10.149 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: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1142.259585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.259585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.259585 (E_RNA) where: Base-Base interactions energy: -769.126 where: short stacking energy: -345.743 Base-Backbone interact. energy: -0.231 local terms energy: -372.902603 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -71.994 flat angles C4'-P-C4' energy: -73.836 flat angles P-C4'-P energy: -54.060 tors. eta vs tors. theta energy: -105.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1085.624469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.624469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.624469 (E_RNA) where: Base-Base interactions energy: -733.368 where: short stacking energy: -329.499 Base-Backbone interact. energy: -2.621 local terms energy: -349.635761 where: bonds (distance) C4'-P energy: -78.074 bonds (distance) P-C4' energy: -59.691 flat angles C4'-P-C4' energy: -77.414 flat angles P-C4'-P energy: -45.680 tors. eta vs tors. theta energy: -88.777 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1072.075703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.075703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.075703 (E_RNA) where: Base-Base interactions energy: -722.099 where: short stacking energy: -310.867 Base-Backbone interact. energy: -1.583 local terms energy: -348.394059 where: bonds (distance) C4'-P energy: -67.037 bonds (distance) P-C4' energy: -71.717 flat angles C4'-P-C4' energy: -72.688 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -96.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -953.583287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.583287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.583287 (E_RNA) where: Base-Base interactions energy: -639.831 where: short stacking energy: -278.900 Base-Backbone interact. energy: -0.151 local terms energy: -313.600973 where: bonds (distance) C4'-P energy: -65.879 bonds (distance) P-C4' energy: -55.074 flat angles C4'-P-C4' energy: -64.500 flat angles P-C4'-P energy: -36.806 tors. eta vs tors. theta energy: -91.342 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: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -861.619811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.619811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.619811 (E_RNA) where: Base-Base interactions energy: -566.752 where: short stacking energy: -259.885 Base-Backbone interact. energy: 1.578 local terms energy: -296.446199 where: bonds (distance) C4'-P energy: -60.289 bonds (distance) P-C4' energy: -67.801 flat angles C4'-P-C4' energy: -65.269 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: -60.871 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: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -853.761975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.761975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.761975 (E_RNA) where: Base-Base interactions energy: -557.647 where: short stacking energy: -255.432 Base-Backbone interact. energy: -0.785 local terms energy: -295.330404 where: bonds (distance) C4'-P energy: -45.308 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -68.667 flat angles P-C4'-P energy: -41.551 tors. eta vs tors. theta energy: -70.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -600.519841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.519841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.519841 (E_RNA) where: Base-Base interactions energy: -354.614 where: short stacking energy: -162.049 Base-Backbone interact. energy: -1.906 local terms energy: -243.999811 where: bonds (distance) C4'-P energy: -53.531 bonds (distance) P-C4' energy: -65.463 flat angles C4'-P-C4' energy: -64.202 flat angles P-C4'-P energy: -30.804 tors. eta vs tors. theta energy: -30.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -464.512644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.512644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.512644 (E_RNA) where: Base-Base interactions energy: -247.825 where: short stacking energy: -142.824 Base-Backbone interact. energy: 1.489 local terms energy: -218.176687 where: bonds (distance) C4'-P energy: -53.487 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -60.992 flat angles P-C4'-P energy: -20.409 tors. eta vs tors. theta energy: -17.251 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: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -284.280936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.280936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.280936 (E_RNA) where: Base-Base interactions energy: -97.505 where: short stacking energy: -82.589 Base-Backbone interact. energy: 0.535 local terms energy: -187.310254 where: bonds (distance) C4'-P energy: -49.478 bonds (distance) P-C4' energy: -57.838 flat angles C4'-P-C4' energy: -55.540 flat angles P-C4'-P energy: -21.201 tors. eta vs tors. theta energy: -3.254 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: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -285.943189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.943189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.943189 (E_RNA) where: Base-Base interactions energy: -124.606 where: short stacking energy: -93.689 Base-Backbone interact. energy: 4.813 local terms energy: -166.150236 where: bonds (distance) C4'-P energy: -52.320 bonds (distance) P-C4' energy: -47.345 flat angles C4'-P-C4' energy: -47.865 flat angles P-C4'-P energy: -22.683 tors. eta vs tors. theta energy: 4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1117.592206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.592206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.592206 (E_RNA) where: Base-Base interactions energy: -766.632 where: short stacking energy: -315.924 Base-Backbone interact. energy: -3.381 local terms energy: -347.578936 where: bonds (distance) C4'-P energy: -70.585 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -75.288 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -95.041 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: 2 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1101.158371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.158371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.158371 (E_RNA) where: Base-Base interactions energy: -741.933 where: short stacking energy: -351.412 Base-Backbone interact. energy: -2.203 local terms energy: -357.022904 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -67.853 flat angles C4'-P-C4' energy: -81.819 flat angles P-C4'-P energy: -46.754 tors. eta vs tors. theta energy: -101.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1033.285280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.285280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.285280 (E_RNA) where: Base-Base interactions energy: -677.020 where: short stacking energy: -311.276 Base-Backbone interact. energy: -1.480 local terms energy: -354.785532 where: bonds (distance) C4'-P energy: -62.073 bonds (distance) P-C4' energy: -77.202 flat angles C4'-P-C4' energy: -68.011 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -103.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -940.680836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.680836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.680836 (E_RNA) where: Base-Base interactions energy: -606.607 where: short stacking energy: -262.641 Base-Backbone interact. energy: -2.266 local terms energy: -331.807895 where: bonds (distance) C4'-P energy: -59.926 bonds (distance) P-C4' energy: -68.367 flat angles C4'-P-C4' energy: -73.505 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -89.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -816.349066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.349066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.349066 (E_RNA) where: Base-Base interactions energy: -514.344 where: short stacking energy: -234.416 Base-Backbone interact. energy: 1.357 local terms energy: -303.361558 where: bonds (distance) C4'-P energy: -61.425 bonds (distance) P-C4' energy: -66.664 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: -63.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -830.775248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.775248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.775248 (E_RNA) where: Base-Base interactions energy: -550.618 where: short stacking energy: -237.401 Base-Backbone interact. energy: 1.090 local terms energy: -281.247339 where: bonds (distance) C4'-P energy: -56.735 bonds (distance) P-C4' energy: -71.210 flat angles C4'-P-C4' energy: -66.935 flat angles P-C4'-P energy: -27.693 tors. eta vs tors. theta energy: -58.674 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: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -681.899059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.899059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.899059 (E_RNA) where: Base-Base interactions energy: -437.049 where: short stacking energy: -210.603 Base-Backbone interact. energy: 1.555 local terms energy: -246.404772 where: bonds (distance) C4'-P energy: -51.062 bonds (distance) P-C4' energy: -60.033 flat angles C4'-P-C4' energy: -63.671 flat angles P-C4'-P energy: -31.664 tors. eta vs tors. theta energy: -39.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -426.405957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.405957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.405957 (E_RNA) where: Base-Base interactions energy: -196.716 where: short stacking energy: -102.576 Base-Backbone interact. energy: -2.434 local terms energy: -227.256395 where: bonds (distance) C4'-P energy: -61.912 bonds (distance) P-C4' energy: -62.513 flat angles C4'-P-C4' energy: -64.789 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -299.351553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.351553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.351553 (E_RNA) where: Base-Base interactions energy: -92.173 where: short stacking energy: -70.575 Base-Backbone interact. energy: 1.159 local terms energy: -208.336722 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -63.360 flat angles C4'-P-C4' energy: -57.716 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: 11.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -277.884380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.884380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.884380 (E_RNA) where: Base-Base interactions energy: -106.124 where: short stacking energy: -88.571 Base-Backbone interact. energy: -0.580 local terms energy: -171.180118 where: bonds (distance) C4'-P energy: -46.918 bonds (distance) P-C4' energy: -59.107 flat angles C4'-P-C4' energy: -53.660 flat angles P-C4'-P energy: -27.552 tors. eta vs tors. theta energy: 16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1137.905112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.905112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.905112 (E_RNA) where: Base-Base interactions energy: -783.149 where: short stacking energy: -326.251 Base-Backbone interact. energy: 1.884 local terms energy: -356.640469 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -69.684 flat angles C4'-P-C4' energy: -72.051 flat angles P-C4'-P energy: -49.703 tors. eta vs tors. theta energy: -92.429 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: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1094.709462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.709462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.709462 (E_RNA) where: Base-Base interactions energy: -741.225 where: short stacking energy: -346.343 Base-Backbone interact. energy: -1.544 local terms energy: -351.939957 where: bonds (distance) C4'-P energy: -66.627 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -69.473 flat angles P-C4'-P energy: -49.869 tors. eta vs tors. theta energy: -98.054 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: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1045.514274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.514274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.514274 (E_RNA) where: Base-Base interactions energy: -699.943 where: short stacking energy: -324.136 Base-Backbone interact. energy: -1.736 local terms energy: -343.835760 where: bonds (distance) C4'-P energy: -65.667 bonds (distance) P-C4' energy: -56.865 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -52.604 tors. eta vs tors. theta energy: -98.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -899.990013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.990013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.990013 (E_RNA) where: Base-Base interactions energy: -573.240 where: short stacking energy: -256.781 Base-Backbone interact. energy: -2.802 local terms energy: -323.947981 where: bonds (distance) C4'-P energy: -63.347 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -68.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -823.160125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.160125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.160125 (E_RNA) where: Base-Base interactions energy: -532.726 where: short stacking energy: -264.976 Base-Backbone interact. energy: 1.767 local terms energy: -292.200943 where: bonds (distance) C4'-P energy: -61.299 bonds (distance) P-C4' energy: -57.506 flat angles C4'-P-C4' energy: -73.403 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: -55.407 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: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -847.517987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.517987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.517987 (E_RNA) where: Base-Base interactions energy: -570.849 where: short stacking energy: -249.020 Base-Backbone interact. energy: -1.321 local terms energy: -275.347235 where: bonds (distance) C4'-P energy: -66.931 bonds (distance) P-C4' energy: -63.910 flat angles C4'-P-C4' energy: -56.303 flat angles P-C4'-P energy: -28.524 tors. eta vs tors. theta energy: -59.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -650.067318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.067318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.067318 (E_RNA) where: Base-Base interactions energy: -401.482 where: short stacking energy: -191.380 Base-Backbone interact. energy: 2.468 local terms energy: -251.052787 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -57.317 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: -34.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -472.523936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.523936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.523936 (E_RNA) where: Base-Base interactions energy: -254.162 where: short stacking energy: -147.037 Base-Backbone interact. energy: -1.957 local terms energy: -216.405376 where: bonds (distance) C4'-P energy: -48.479 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -54.938 flat angles P-C4'-P energy: -28.724 tors. eta vs tors. theta energy: -18.951 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: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -311.872541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.872541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.872541 (E_RNA) where: Base-Base interactions energy: -131.018 where: short stacking energy: -100.308 Base-Backbone interact. energy: 1.474 local terms energy: -182.327604 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -55.075 flat angles C4'-P-C4' energy: -53.586 flat angles P-C4'-P energy: -25.526 tors. eta vs tors. theta energy: 13.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -287.158527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.158527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.158527 (E_RNA) where: Base-Base interactions energy: -91.011 where: short stacking energy: -77.954 Base-Backbone interact. energy: 0.976 local terms energy: -197.123289 where: bonds (distance) C4'-P energy: -66.976 bonds (distance) P-C4' energy: -68.459 flat angles C4'-P-C4' energy: -48.117 flat angles P-C4'-P energy: -31.395 tors. eta vs tors. theta energy: 17.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1120.934495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.934495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.934495 (E_RNA) where: Base-Base interactions energy: -743.273 where: short stacking energy: -326.789 Base-Backbone interact. energy: -0.143 local terms energy: -377.518111 where: bonds (distance) C4'-P energy: -75.838 bonds (distance) P-C4' energy: -69.025 flat angles C4'-P-C4' energy: -83.910 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -96.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1087.540794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.540794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.540794 (E_RNA) where: Base-Base interactions energy: -727.850 where: short stacking energy: -321.765 Base-Backbone interact. energy: -2.068 local terms energy: -357.623140 where: bonds (distance) C4'-P energy: -73.440 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -77.493 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -90.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1035.116619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.116619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.116619 (E_RNA) where: Base-Base interactions energy: -682.261 where: short stacking energy: -302.154 Base-Backbone interact. energy: 3.654 local terms energy: -356.508984 where: bonds (distance) C4'-P energy: -64.713 bonds (distance) P-C4' energy: -65.069 flat angles C4'-P-C4' energy: -84.581 flat angles P-C4'-P energy: -49.590 tors. eta vs tors. theta energy: -92.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -883.121576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.121576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.121576 (E_RNA) where: Base-Base interactions energy: -569.239 where: short stacking energy: -267.212 Base-Backbone interact. energy: -2.018 local terms energy: -311.864525 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -71.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -874.113989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.113989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.113989 (E_RNA) where: Base-Base interactions energy: -572.859 where: short stacking energy: -253.931 Base-Backbone interact. energy: -0.378 local terms energy: -300.877291 where: bonds (distance) C4'-P energy: -60.369 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -68.339 flat angles P-C4'-P energy: -41.532 tors. eta vs tors. theta energy: -69.862 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: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -803.227767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.227767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.227767 (E_RNA) where: Base-Base interactions energy: -526.387 where: short stacking energy: -234.425 Base-Backbone interact. energy: 2.144 local terms energy: -278.984609 where: bonds (distance) C4'-P energy: -48.130 bonds (distance) P-C4' energy: -69.097 flat angles C4'-P-C4' energy: -63.679 flat angles P-C4'-P energy: -44.052 tors. eta vs tors. theta energy: -54.026 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: 154 Temperature: 1.200000 Total energy: -641.645879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.645879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.645879 (E_RNA) where: Base-Base interactions energy: -393.536 where: short stacking energy: -179.246 Base-Backbone interact. energy: -2.211 local terms energy: -245.899344 where: bonds (distance) C4'-P energy: -54.642 bonds (distance) P-C4' energy: -60.515 flat angles C4'-P-C4' energy: -58.867 flat angles P-C4'-P energy: -41.445 tors. eta vs tors. theta energy: -30.430 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: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -414.491529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.491529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.491529 (E_RNA) where: Base-Base interactions energy: -196.508 where: short stacking energy: -137.498 Base-Backbone interact. energy: 4.948 local terms energy: -222.931976 where: bonds (distance) C4'-P energy: -66.177 bonds (distance) P-C4' energy: -68.081 flat angles C4'-P-C4' energy: -41.370 flat angles P-C4'-P energy: -27.402 tors. eta vs tors. theta energy: -19.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -313.220637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.220637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.220637 (E_RNA) where: Base-Base interactions energy: -121.228 where: short stacking energy: -88.343 Base-Backbone interact. energy: -1.607 local terms energy: -190.385669 where: bonds (distance) C4'-P energy: -56.765 bonds (distance) P-C4' energy: -52.886 flat angles C4'-P-C4' energy: -48.107 flat angles P-C4'-P energy: -30.326 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -279.835565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.835565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.835565 (E_RNA) where: Base-Base interactions energy: -100.536 where: short stacking energy: -91.574 Base-Backbone interact. energy: -0.066 local terms energy: -179.233668 where: bonds (distance) C4'-P energy: -46.011 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -42.969 flat angles P-C4'-P energy: -37.920 tors. eta vs tors. theta energy: 12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1122.501058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.501058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.501058 (E_RNA) where: Base-Base interactions energy: -754.571 where: short stacking energy: -333.824 Base-Backbone interact. energy: -1.273 local terms energy: -366.657720 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -74.960 flat angles C4'-P-C4' energy: -82.292 flat angles P-C4'-P energy: -48.241 tors. eta vs tors. theta energy: -96.601 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: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1074.055984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.055984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.055984 (E_RNA) where: Base-Base interactions energy: -714.091 where: short stacking energy: -304.865 Base-Backbone interact. energy: 0.698 local terms energy: -360.663126 where: bonds (distance) C4'-P energy: -72.982 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -70.925 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: -104.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1040.254715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.254715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.254715 (E_RNA) where: Base-Base interactions energy: -687.182 where: short stacking energy: -317.310 Base-Backbone interact. energy: -2.517 local terms energy: -350.556534 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -67.045 flat angles C4'-P-C4' energy: -74.182 flat angles P-C4'-P energy: -46.960 tors. eta vs tors. theta energy: -96.460 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: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -936.256072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.256072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.256072 (E_RNA) where: Base-Base interactions energy: -605.416 where: short stacking energy: -272.073 Base-Backbone interact. energy: -2.632 local terms energy: -328.208613 where: bonds (distance) C4'-P energy: -62.375 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -75.247 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -79.385 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: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -871.800477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.800477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.800477 (E_RNA) where: Base-Base interactions energy: -566.200 where: short stacking energy: -277.683 Base-Backbone interact. energy: -0.449 local terms energy: -305.151805 where: bonds (distance) C4'-P energy: -53.765 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -68.972 flat angles P-C4'-P energy: -40.578 tors. eta vs tors. theta energy: -73.760 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: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -801.844566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.844566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.844566 (E_RNA) where: Base-Base interactions energy: -504.113 where: short stacking energy: -233.529 Base-Backbone interact. energy: -1.012 local terms energy: -296.719556 where: bonds (distance) C4'-P energy: -60.985 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -62.664 flat angles P-C4'-P energy: -47.757 tors. eta vs tors. theta energy: -61.725 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: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -624.953747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.953747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.953747 (E_RNA) where: Base-Base interactions energy: -365.649 where: short stacking energy: -164.500 Base-Backbone interact. energy: -1.160 local terms energy: -258.144229 where: bonds (distance) C4'-P energy: -58.564 bonds (distance) P-C4' energy: -69.008 flat angles C4'-P-C4' energy: -61.319 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -31.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -419.598283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.598283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.598283 (E_RNA) where: Base-Base interactions energy: -202.771 where: short stacking energy: -118.524 Base-Backbone interact. energy: -1.407 local terms energy: -215.419865 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -53.256 flat angles P-C4'-P energy: -31.812 tors. eta vs tors. theta energy: -9.748 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: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -307.275501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.275501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.275501 (E_RNA) where: Base-Base interactions energy: -148.656 where: short stacking energy: -118.956 Base-Backbone interact. energy: 4.046 local terms energy: -162.665048 where: bonds (distance) C4'-P energy: -32.824 bonds (distance) P-C4' energy: -61.560 flat angles C4'-P-C4' energy: -49.092 flat angles P-C4'-P energy: -19.507 tors. eta vs tors. theta energy: 0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -286.690603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.690603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.690603 (E_RNA) where: Base-Base interactions energy: -87.805 where: short stacking energy: -80.055 Base-Backbone interact. energy: -0.968 local terms energy: -197.916987 where: bonds (distance) C4'-P energy: -60.633 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -50.074 flat angles P-C4'-P energy: -23.909 tors. eta vs tors. theta energy: -5.034 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: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1119.792591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.792591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.792591 (E_RNA) where: Base-Base interactions energy: -743.700 where: short stacking energy: -348.635 Base-Backbone interact. energy: -0.749 local terms energy: -375.343164 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -72.780 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -50.839 tors. eta vs tors. theta energy: -109.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1120.292488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.292488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.292488 (E_RNA) where: Base-Base interactions energy: -754.974 where: short stacking energy: -333.980 Base-Backbone interact. energy: -2.580 local terms energy: -362.738093 where: bonds (distance) C4'-P energy: -63.041 bonds (distance) P-C4' energy: -68.480 flat angles C4'-P-C4' energy: -78.353 flat angles P-C4'-P energy: -57.739 tors. eta vs tors. theta energy: -95.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1058.945659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.945659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.945659 (E_RNA) where: Base-Base interactions energy: -703.843 where: short stacking energy: -342.992 Base-Backbone interact. energy: -1.996 local terms energy: -353.106938 where: bonds (distance) C4'-P energy: -63.538 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -66.419 flat angles P-C4'-P energy: -54.216 tors. eta vs tors. theta energy: -101.713 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: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -942.184593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.184593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.184593 (E_RNA) where: Base-Base interactions energy: -620.798 where: short stacking energy: -277.794 Base-Backbone interact. energy: -2.504 local terms energy: -318.882414 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: -71.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -817.632809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.632809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.632809 (E_RNA) where: Base-Base interactions energy: -521.351 where: short stacking energy: -245.955 Base-Backbone interact. energy: -0.701 local terms energy: -295.580526 where: bonds (distance) C4'-P energy: -66.377 bonds (distance) P-C4' energy: -60.840 flat angles C4'-P-C4' energy: -67.575 flat angles P-C4'-P energy: -35.434 tors. eta vs tors. theta energy: -65.355 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: 6, replica: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -731.717922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.717922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.717922 (E_RNA) where: Base-Base interactions energy: -483.268 where: short stacking energy: -226.411 Base-Backbone interact. energy: 0.365 local terms energy: -248.814361 where: bonds (distance) C4'-P energy: -42.437 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -66.662 flat angles P-C4'-P energy: -28.113 tors. eta vs tors. theta energy: -48.197 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -587.434573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.434573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.434573 (E_RNA) where: Base-Base interactions energy: -330.495 where: short stacking energy: -156.789 Base-Backbone interact. energy: 0.535 local terms energy: -257.474123 where: bonds (distance) C4'-P energy: -58.111 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -62.973 flat angles P-C4'-P energy: -43.809 tors. eta vs tors. theta energy: -24.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -427.097185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.097185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.097185 (E_RNA) where: Base-Base interactions energy: -217.489 where: short stacking energy: -139.206 Base-Backbone interact. energy: 0.131 local terms energy: -209.739286 where: bonds (distance) C4'-P energy: -46.876 bonds (distance) P-C4' energy: -62.361 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -34.139 tors. eta vs tors. theta energy: -9.433 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: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -304.434037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.434037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.434037 (E_RNA) where: Base-Base interactions energy: -85.762 where: short stacking energy: -72.117 Base-Backbone interact. energy: 0.778 local terms energy: -219.450546 where: bonds (distance) C4'-P energy: -55.486 bonds (distance) P-C4' energy: -66.747 flat angles C4'-P-C4' energy: -62.341 flat angles P-C4'-P energy: -37.136 tors. eta vs tors. theta energy: 2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -290.407059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.407059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.407059 (E_RNA) where: Base-Base interactions energy: -102.127 where: short stacking energy: -84.642 Base-Backbone interact. energy: -0.844 local terms energy: -187.436896 where: bonds (distance) C4'-P energy: -51.184 bonds (distance) P-C4' energy: -71.575 flat angles C4'-P-C4' energy: -51.470 flat angles P-C4'-P energy: -32.128 tors. eta vs tors. theta energy: 18.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1116.569659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.569659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.569659 (E_RNA) where: Base-Base interactions energy: -730.154 where: short stacking energy: -329.784 Base-Backbone interact. energy: -3.154 local terms energy: -383.261728 where: bonds (distance) C4'-P energy: -74.265 bonds (distance) P-C4' energy: -76.414 flat angles C4'-P-C4' energy: -81.098 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: -104.765 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: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1115.684014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.684014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.684014 (E_RNA) where: Base-Base interactions energy: -765.663 where: short stacking energy: -347.435 Base-Backbone interact. energy: 2.250 local terms energy: -352.271193 where: bonds (distance) C4'-P energy: -64.215 bonds (distance) P-C4' energy: -76.191 flat angles C4'-P-C4' energy: -79.450 flat angles P-C4'-P energy: -37.804 tors. eta vs tors. theta energy: -94.611 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: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1052.299553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.299553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.299553 (E_RNA) where: Base-Base interactions energy: -696.934 where: short stacking energy: -330.150 Base-Backbone interact. energy: -2.495 local terms energy: -352.870310 where: bonds (distance) C4'-P energy: -75.434 bonds (distance) P-C4' energy: -70.169 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -43.745 tors. eta vs tors. theta energy: -94.622 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: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -962.768331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.768331 (E_RNA) where: Base-Base interactions energy: -630.175 where: short stacking energy: -308.056 Base-Backbone interact. energy: -0.537 local terms energy: -332.056263 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -72.447 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -91.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -843.959274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.959274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.959274 (E_RNA) where: Base-Base interactions energy: -517.730 where: short stacking energy: -261.167 Base-Backbone interact. energy: -1.765 local terms energy: -324.463989 where: bonds (distance) C4'-P energy: -71.593 bonds (distance) P-C4' energy: -63.431 flat angles C4'-P-C4' energy: -75.897 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -65.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -711.344182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.344182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.344182 (E_RNA) where: Base-Base interactions energy: -455.484 where: short stacking energy: -212.973 Base-Backbone interact. energy: 1.501 local terms energy: -257.361850 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -52.463 flat angles P-C4'-P energy: -41.241 tors. eta vs tors. theta energy: -37.053 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: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -582.945357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.945357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.945357 (E_RNA) where: Base-Base interactions energy: -339.652 where: short stacking energy: -156.587 Base-Backbone interact. energy: -1.430 local terms energy: -241.863173 where: bonds (distance) C4'-P energy: -47.546 bonds (distance) P-C4' energy: -72.811 flat angles C4'-P-C4' energy: -70.847 flat angles P-C4'-P energy: -31.628 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -412.584177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.584177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.584177 (E_RNA) where: Base-Base interactions energy: -208.096 where: short stacking energy: -140.184 Base-Backbone interact. energy: -1.369 local terms energy: -203.119427 where: bonds (distance) C4'-P energy: -65.465 bonds (distance) P-C4' energy: -62.365 flat angles C4'-P-C4' energy: -44.555 flat angles P-C4'-P energy: -30.138 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -320.392594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.392594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.392594 (E_RNA) where: Base-Base interactions energy: -120.310 where: short stacking energy: -89.434 Base-Backbone interact. energy: 3.979 local terms energy: -204.061885 where: bonds (distance) C4'-P energy: -51.577 bonds (distance) P-C4' energy: -63.068 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -26.858 tors. eta vs tors. theta energy: -3.401 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: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -282.912040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.912040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.912040 (E_RNA) where: Base-Base interactions energy: -92.253 where: short stacking energy: -66.848 Base-Backbone interact. energy: 7.938 local terms energy: -198.597178 where: bonds (distance) C4'-P energy: -64.098 bonds (distance) P-C4' energy: -64.615 flat angles C4'-P-C4' energy: -49.997 flat angles P-C4'-P energy: -23.736 tors. eta vs tors. theta energy: 3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1098.452897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.452897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.452897 (E_RNA) where: Base-Base interactions energy: -735.180 where: short stacking energy: -337.564 Base-Backbone interact. energy: -1.690 local terms energy: -361.583181 where: bonds (distance) C4'-P energy: -66.774 bonds (distance) P-C4' energy: -65.927 flat angles C4'-P-C4' energy: -83.465 flat angles P-C4'-P energy: -45.370 tors. eta vs tors. theta energy: -100.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1108.237745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.237745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.237745 (E_RNA) where: Base-Base interactions energy: -776.035 where: short stacking energy: -336.339 Base-Backbone interact. energy: -1.173 local terms energy: -331.029170 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -66.018 flat angles C4'-P-C4' energy: -65.713 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -92.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1061.258255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.258255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.258255 (E_RNA) where: Base-Base interactions energy: -712.885 where: short stacking energy: -325.324 Base-Backbone interact. energy: -2.852 local terms energy: -345.521304 where: bonds (distance) C4'-P energy: -71.073 bonds (distance) P-C4' energy: -61.004 flat angles C4'-P-C4' energy: -70.342 flat angles P-C4'-P energy: -49.201 tors. eta vs tors. theta energy: -93.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -975.308226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.308226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.308226 (E_RNA) where: Base-Base interactions energy: -641.772 where: short stacking energy: -290.965 Base-Backbone interact. energy: -0.014 local terms energy: -333.522041 where: bonds (distance) C4'-P energy: -63.712 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -81.183 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -82.749 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: 9 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -853.936376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.936376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.936376 (E_RNA) where: Base-Base interactions energy: -553.534 where: short stacking energy: -266.249 Base-Backbone interact. energy: -0.409 local terms energy: -299.993587 where: bonds (distance) C4'-P energy: -57.308 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -76.472 flat angles P-C4'-P energy: -43.022 tors. eta vs tors. theta energy: -62.663 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: 158 Temperature: 1.150000 Total energy: -704.754193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.754193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.754193 (E_RNA) where: Base-Base interactions energy: -429.110 where: short stacking energy: -212.764 Base-Backbone interact. energy: -0.333 local terms energy: -275.311611 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -61.248 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -49.907 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: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -561.111154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.111154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.111154 (E_RNA) where: Base-Base interactions energy: -349.072 where: short stacking energy: -173.833 Base-Backbone interact. energy: 6.442 local terms energy: -218.481706 where: bonds (distance) C4'-P energy: -41.227 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -52.920 flat angles P-C4'-P energy: -42.583 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -400.029120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.029120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.029120 (E_RNA) where: Base-Base interactions energy: -184.826 where: short stacking energy: -112.522 Base-Backbone interact. energy: 4.451 local terms energy: -219.654023 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -41.345 flat angles P-C4'-P energy: -42.396 tors. eta vs tors. theta energy: -11.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -296.213888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.213888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.213888 (E_RNA) where: Base-Base interactions energy: -96.963 where: short stacking energy: -70.511 Base-Backbone interact. energy: -1.780 local terms energy: -197.470270 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -59.291 flat angles C4'-P-C4' energy: -42.496 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: 2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -293.620007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.620007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.620007 (E_RNA) where: Base-Base interactions energy: -110.991 where: short stacking energy: -89.466 Base-Backbone interact. energy: -0.628 local terms energy: -182.000424 where: bonds (distance) C4'-P energy: -60.446 bonds (distance) P-C4' energy: -57.779 flat angles C4'-P-C4' energy: -46.474 flat angles P-C4'-P energy: -30.243 tors. eta vs tors. theta energy: 12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1103.331354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.331354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.331354 (E_RNA) where: Base-Base interactions energy: -732.646 where: short stacking energy: -337.956 Base-Backbone interact. energy: -3.255 local terms energy: -367.431114 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: -104.201 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: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1106.101982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.101982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.101982 (E_RNA) where: Base-Base interactions energy: -753.626 where: short stacking energy: -314.572 Base-Backbone interact. energy: -0.875 local terms energy: -351.601624 where: bonds (distance) C4'-P energy: -66.350 bonds (distance) P-C4' energy: -71.713 flat angles C4'-P-C4' energy: -72.769 flat angles P-C4'-P energy: -52.088 tors. eta vs tors. theta energy: -88.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1049.807667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.807667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.807667 (E_RNA) where: Base-Base interactions energy: -699.040 where: short stacking energy: -324.171 Base-Backbone interact. energy: -0.929 local terms energy: -349.838772 where: bonds (distance) C4'-P energy: -72.101 bonds (distance) P-C4' energy: -56.283 flat angles C4'-P-C4' energy: -76.497 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -97.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -943.136630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.136630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.136630 (E_RNA) where: Base-Base interactions energy: -632.359 where: short stacking energy: -281.505 Base-Backbone interact. energy: -0.438 local terms energy: -310.339837 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -68.790 flat angles P-C4'-P energy: -40.931 tors. eta vs tors. theta energy: -67.904 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: 9 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -843.312219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.312219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.312219 (E_RNA) where: Base-Base interactions energy: -557.038 where: short stacking energy: -250.099 Base-Backbone interact. energy: -0.743 local terms energy: -285.531305 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -69.930 flat angles C4'-P-C4' energy: -70.937 flat angles P-C4'-P energy: -32.264 tors. eta vs tors. theta energy: -56.085 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: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -617.026909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.026909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.026909 (E_RNA) where: Base-Base interactions energy: -343.467 where: short stacking energy: -194.334 Base-Backbone interact. energy: 1.444 local terms energy: -275.003747 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -67.579 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -39.133 tors. eta vs tors. theta energy: -44.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -666.462403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.462403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.462403 (E_RNA) where: Base-Base interactions energy: -410.798 where: short stacking energy: -191.980 Base-Backbone interact. energy: 1.271 local terms energy: -256.935877 where: bonds (distance) C4'-P energy: -57.973 bonds (distance) P-C4' energy: -62.563 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -37.663 tors. eta vs tors. theta energy: -32.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -452.855353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.855353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.855353 (E_RNA) where: Base-Base interactions energy: -256.062 where: short stacking energy: -149.545 Base-Backbone interact. energy: -1.790 local terms energy: -195.002703 where: bonds (distance) C4'-P energy: -50.848 bonds (distance) P-C4' energy: -64.997 flat angles C4'-P-C4' energy: -40.464 flat angles P-C4'-P energy: -23.845 tors. eta vs tors. theta energy: -14.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -330.932906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.932906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.932906 (E_RNA) where: Base-Base interactions energy: -112.775 where: short stacking energy: -103.129 Base-Backbone interact. energy: 0.016 local terms energy: -218.174071 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -63.173 flat angles P-C4'-P energy: -23.772 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -276.230612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.230612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.230612 (E_RNA) where: Base-Base interactions energy: -98.740 where: short stacking energy: -80.479 Base-Backbone interact. energy: 2.534 local terms energy: -180.024997 where: bonds (distance) C4'-P energy: -60.261 bonds (distance) P-C4' energy: -52.775 flat angles C4'-P-C4' energy: -52.689 flat angles P-C4'-P energy: -28.960 tors. eta vs tors. theta energy: 14.660 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: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1099.243624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.243624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.243624 (E_RNA) where: Base-Base interactions energy: -733.853 where: short stacking energy: -330.921 Base-Backbone interact. energy: -1.968 local terms energy: -363.422614 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -77.084 flat angles C4'-P-C4' energy: -78.670 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -95.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1109.577386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.577386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.577386 (E_RNA) where: Base-Base interactions energy: -758.030 where: short stacking energy: -318.722 Base-Backbone interact. energy: -1.128 local terms energy: -350.419405 where: bonds (distance) C4'-P energy: -62.493 bonds (distance) P-C4' energy: -74.059 flat angles C4'-P-C4' energy: -76.629 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -88.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1056.377290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.377290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.377290 (E_RNA) where: Base-Base interactions energy: -715.951 where: short stacking energy: -320.519 Base-Backbone interact. energy: -3.957 local terms energy: -336.469531 where: bonds (distance) C4'-P energy: -70.447 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -75.280 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -90.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -966.103510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.103510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.103510 (E_RNA) where: Base-Base interactions energy: -632.041 where: short stacking energy: -274.176 Base-Backbone interact. energy: -1.140 local terms energy: -332.923236 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -69.015 flat angles C4'-P-C4' energy: -73.094 flat angles P-C4'-P energy: -44.789 tors. eta vs tors. theta energy: -85.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -837.103080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.103080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.103080 (E_RNA) where: Base-Base interactions energy: -528.732 where: short stacking energy: -259.637 Base-Backbone interact. energy: -1.278 local terms energy: -307.092878 where: bonds (distance) C4'-P energy: -60.807 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -65.869 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -74.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -607.688208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.688208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.688208 (E_RNA) where: Base-Base interactions energy: -339.480 where: short stacking energy: -171.210 Base-Backbone interact. energy: -0.810 local terms energy: -267.397908 where: bonds (distance) C4'-P energy: -67.167 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -49.567 tors. eta vs tors. theta energy: -31.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -711.497989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.497989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.497989 (E_RNA) where: Base-Base interactions energy: -440.338 where: short stacking energy: -202.536 Base-Backbone interact. energy: 1.262 local terms energy: -272.422076 where: bonds (distance) C4'-P energy: -50.281 bonds (distance) P-C4' energy: -62.374 flat angles C4'-P-C4' energy: -69.125 flat angles P-C4'-P energy: -36.863 tors. eta vs tors. theta energy: -53.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -448.086982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.086982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.086982 (E_RNA) where: Base-Base interactions energy: -217.693 where: short stacking energy: -141.089 Base-Backbone interact. energy: 1.084 local terms energy: -231.478130 where: bonds (distance) C4'-P energy: -73.510 bonds (distance) P-C4' energy: -48.588 flat angles C4'-P-C4' energy: -56.848 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: -17.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -335.644407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.644407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.644407 (E_RNA) where: Base-Base interactions energy: -147.384 where: short stacking energy: -105.714 Base-Backbone interact. energy: -1.152 local terms energy: -187.108295 where: bonds (distance) C4'-P energy: -58.690 bonds (distance) P-C4' energy: -51.106 flat angles C4'-P-C4' energy: -39.892 flat angles P-C4'-P energy: -35.967 tors. eta vs tors. theta energy: -1.452 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: 10, replica: 3 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -283.057249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.057249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.057249 (E_RNA) where: Base-Base interactions energy: -77.152 where: short stacking energy: -68.163 Base-Backbone interact. energy: -1.078 local terms energy: -204.826905 where: bonds (distance) C4'-P energy: -58.521 bonds (distance) P-C4' energy: -67.335 flat angles C4'-P-C4' energy: -52.184 flat angles P-C4'-P energy: -36.157 tors. eta vs tors. theta energy: 9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1083.818125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.818125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.818125 (E_RNA) where: Base-Base interactions energy: -722.599 where: short stacking energy: -320.102 Base-Backbone interact. energy: -1.191 local terms energy: -360.028267 where: bonds (distance) C4'-P energy: -62.320 bonds (distance) P-C4' energy: -71.538 flat angles C4'-P-C4' energy: -77.255 flat angles P-C4'-P energy: -50.746 tors. eta vs tors. theta energy: -98.170 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: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1101.888917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.888917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.888917 (E_RNA) where: Base-Base interactions energy: -750.389 where: short stacking energy: -317.661 Base-Backbone interact. energy: -1.299 local terms energy: -350.200754 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -71.711 flat angles C4'-P-C4' energy: -77.727 flat angles P-C4'-P energy: -43.066 tors. eta vs tors. theta energy: -87.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1029.784802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.784802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.784802 (E_RNA) where: Base-Base interactions energy: -685.363 where: short stacking energy: -323.742 Base-Backbone interact. energy: -3.056 local terms energy: -341.365963 where: bonds (distance) C4'-P energy: -67.312 bonds (distance) P-C4' energy: -65.226 flat angles C4'-P-C4' energy: -73.964 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -83.818 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: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -975.807941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.807941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.807941 (E_RNA) where: Base-Base interactions energy: -641.347 where: short stacking energy: -289.976 Base-Backbone interact. energy: 1.251 local terms energy: -335.711748 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -70.445 flat angles P-C4'-P energy: -49.661 tors. eta vs tors. theta energy: -87.758 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: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -836.548186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.548186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.548186 (E_RNA) where: Base-Base interactions energy: -538.669 where: short stacking energy: -258.089 Base-Backbone interact. energy: -2.180 local terms energy: -295.698800 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -55.580 flat angles C4'-P-C4' energy: -53.865 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -75.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -755.315686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.315686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.315686 (E_RNA) where: Base-Base interactions energy: -488.776 where: short stacking energy: -214.928 Base-Backbone interact. energy: 0.754 local terms energy: -267.293941 where: bonds (distance) C4'-P energy: -66.594 bonds (distance) P-C4' energy: -57.286 flat angles C4'-P-C4' energy: -55.448 flat angles P-C4'-P energy: -41.079 tors. eta vs tors. theta energy: -46.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -583.141234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.141234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.141234 (E_RNA) where: Base-Base interactions energy: -341.294 where: short stacking energy: -171.937 Base-Backbone interact. energy: -0.904 local terms energy: -240.943538 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -62.473 flat angles C4'-P-C4' energy: -52.433 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -31.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -511.830831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.830831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.830831 (E_RNA) where: Base-Base interactions energy: -280.785 where: short stacking energy: -142.950 Base-Backbone interact. energy: 4.371 local terms energy: -235.417235 where: bonds (distance) C4'-P energy: -57.019 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -59.579 flat angles P-C4'-P energy: -21.549 tors. eta vs tors. theta energy: -34.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -364.812000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.812000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.812000 (E_RNA) where: Base-Base interactions energy: -151.979 where: short stacking energy: -85.361 Base-Backbone interact. energy: -0.951 local terms energy: -211.881715 where: bonds (distance) C4'-P energy: -64.906 bonds (distance) P-C4' energy: -59.950 flat angles C4'-P-C4' energy: -56.733 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: 5.062 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: 3 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -277.389517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.389517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.389517 (E_RNA) where: Base-Base interactions energy: -92.526 where: short stacking energy: -87.691 Base-Backbone interact. energy: -0.986 local terms energy: -183.876771 where: bonds (distance) C4'-P energy: -52.725 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -49.827 flat angles P-C4'-P energy: -24.131 tors. eta vs tors. theta energy: 6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1137.105523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.105523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.105523 (E_RNA) where: Base-Base interactions energy: -765.935 where: short stacking energy: -317.367 Base-Backbone interact. energy: -0.274 local terms energy: -370.897421 where: bonds (distance) C4'-P energy: -70.698 bonds (distance) P-C4' energy: -73.951 flat angles C4'-P-C4' energy: -76.429 flat angles P-C4'-P energy: -57.932 tors. eta vs tors. theta energy: -91.888 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: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1074.674811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.674811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.674811 (E_RNA) where: Base-Base interactions energy: -711.575 where: short stacking energy: -317.550 Base-Backbone interact. energy: -2.708 local terms energy: -360.392070 where: bonds (distance) C4'-P energy: -63.172 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -79.774 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -98.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1047.732200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.732200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.732200 (E_RNA) where: Base-Base interactions energy: -709.746 where: short stacking energy: -314.465 Base-Backbone interact. energy: -1.184 local terms energy: -336.802683 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -78.468 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -84.448 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: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -983.071645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.071645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.071645 (E_RNA) where: Base-Base interactions energy: -653.160 where: short stacking energy: -301.761 Base-Backbone interact. energy: 0.303 local terms energy: -330.213981 where: bonds (distance) C4'-P energy: -62.684 bonds (distance) P-C4' energy: -59.713 flat angles C4'-P-C4' energy: -64.110 flat angles P-C4'-P energy: -53.535 tors. eta vs tors. theta energy: -90.171 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: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -819.028416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.028416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.028416 (E_RNA) where: Base-Base interactions energy: -523.432 where: short stacking energy: -247.361 Base-Backbone interact. energy: 0.177 local terms energy: -295.773028 where: bonds (distance) C4'-P energy: -65.714 bonds (distance) P-C4' energy: -61.635 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -57.761 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: 162 Temperature: 1.150000 Total energy: -754.414479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.414479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.414479 (E_RNA) where: Base-Base interactions energy: -459.127 where: short stacking energy: -239.655 Base-Backbone interact. energy: -3.439 local terms energy: -291.848037 where: bonds (distance) C4'-P energy: -67.555 bonds (distance) P-C4' energy: -55.590 flat angles C4'-P-C4' energy: -61.529 flat angles P-C4'-P energy: -39.657 tors. eta vs tors. theta energy: -67.517 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: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -580.750291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.750291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.750291 (E_RNA) where: Base-Base interactions energy: -332.784 where: short stacking energy: -163.357 Base-Backbone interact. energy: -1.014 local terms energy: -246.952500 where: bonds (distance) C4'-P energy: -57.250 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -60.176 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -20.918 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: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -471.037902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.037902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.037902 (E_RNA) where: Base-Base interactions energy: -252.744 where: short stacking energy: -157.138 Base-Backbone interact. energy: -0.342 local terms energy: -217.951858 where: bonds (distance) C4'-P energy: -44.831 bonds (distance) P-C4' energy: -64.892 flat angles C4'-P-C4' energy: -56.762 flat angles P-C4'-P energy: -42.628 tors. eta vs tors. theta energy: -8.839 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: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -328.505048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.505048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.505048 (E_RNA) where: Base-Base interactions energy: -133.862 where: short stacking energy: -107.576 Base-Backbone interact. energy: -1.517 local terms energy: -193.125850 where: bonds (distance) C4'-P energy: -61.738 bonds (distance) P-C4' energy: -60.958 flat angles C4'-P-C4' energy: -44.680 flat angles P-C4'-P energy: -23.099 tors. eta vs tors. theta energy: -2.651 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: 3 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -276.630422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.630422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.630422 (E_RNA) where: Base-Base interactions energy: -90.148 where: short stacking energy: -78.042 Base-Backbone interact. energy: -1.557 local terms energy: -184.925304 where: bonds (distance) C4'-P energy: -49.687 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -41.858 flat angles P-C4'-P energy: -28.197 tors. eta vs tors. theta energy: 5.298 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: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1140.773237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.773237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.773237 (E_RNA) where: Base-Base interactions energy: -795.056 where: short stacking energy: -343.525 Base-Backbone interact. energy: -2.661 local terms energy: -343.055928 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -61.221 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -97.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1072.834621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.834621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.834621 (E_RNA) where: Base-Base interactions energy: -722.507 where: short stacking energy: -327.068 Base-Backbone interact. energy: -2.339 local terms energy: -347.988866 where: bonds (distance) C4'-P energy: -57.690 bonds (distance) P-C4' energy: -61.297 flat angles C4'-P-C4' energy: -75.252 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -100.259 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: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1033.757991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.757991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.757991 (E_RNA) where: Base-Base interactions energy: -676.635 where: short stacking energy: -312.712 Base-Backbone interact. energy: -3.418 local terms energy: -353.705184 where: bonds (distance) C4'-P energy: -68.916 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -76.372 flat angles P-C4'-P energy: -41.431 tors. eta vs tors. theta energy: -94.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -972.894179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.894179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.894179 (E_RNA) where: Base-Base interactions energy: -641.998 where: short stacking energy: -289.689 Base-Backbone interact. energy: -1.185 local terms energy: -329.711254 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -50.658 tors. eta vs tors. theta energy: -85.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -824.875442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.875442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.875442 (E_RNA) where: Base-Base interactions energy: -547.089 where: short stacking energy: -248.015 Base-Backbone interact. energy: 0.458 local terms energy: -278.244720 where: bonds (distance) C4'-P energy: -53.787 bonds (distance) P-C4' energy: -56.839 flat angles C4'-P-C4' energy: -66.683 flat angles P-C4'-P energy: -43.819 tors. eta vs tors. theta energy: -57.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -770.434712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.434712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.434712 (E_RNA) where: Base-Base interactions energy: -495.551 where: short stacking energy: -240.108 Base-Backbone interact. energy: -0.060 local terms energy: -274.824005 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -59.487 flat angles P-C4'-P energy: -33.417 tors. eta vs tors. theta energy: -61.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -561.500809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.500809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.500809 (E_RNA) where: Base-Base interactions energy: -343.822 where: short stacking energy: -159.679 Base-Backbone interact. energy: -0.345 local terms energy: -217.334082 where: bonds (distance) C4'-P energy: -54.757 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -47.541 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -461.368419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.368419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.368419 (E_RNA) where: Base-Base interactions energy: -258.255 where: short stacking energy: -135.564 Base-Backbone interact. energy: -1.207 local terms energy: -201.905615 where: bonds (distance) C4'-P energy: -57.078 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -54.269 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -336.133277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.133277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.133277 (E_RNA) where: Base-Base interactions energy: -135.662 where: short stacking energy: -101.114 Base-Backbone interact. energy: 4.589 local terms energy: -205.060930 where: bonds (distance) C4'-P energy: -61.504 bonds (distance) P-C4' energy: -51.085 flat angles C4'-P-C4' energy: -50.873 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -0.090 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: 3 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -323.706917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.706917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.706917 (E_RNA) where: Base-Base interactions energy: -135.571 where: short stacking energy: -98.495 Base-Backbone interact. energy: -1.339 local terms energy: -186.796747 where: bonds (distance) C4'-P energy: -46.493 bonds (distance) P-C4' energy: -63.604 flat angles C4'-P-C4' energy: -51.241 flat angles P-C4'-P energy: -28.369 tors. eta vs tors. theta energy: 2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1127.078236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.078236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.078236 (E_RNA) where: Base-Base interactions energy: -762.554 where: short stacking energy: -341.490 Base-Backbone interact. energy: 0.171 local terms energy: -364.695379 where: bonds (distance) C4'-P energy: -66.096 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -53.023 tors. eta vs tors. theta energy: -89.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1088.617141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.617141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.617141 (E_RNA) where: Base-Base interactions energy: -723.399 where: short stacking energy: -334.305 Base-Backbone interact. energy: -2.702 local terms energy: -362.515998 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -62.346 flat angles C4'-P-C4' energy: -66.256 flat angles P-C4'-P energy: -51.495 tors. eta vs tors. theta energy: -110.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1043.019350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.019350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.019350 (E_RNA) where: Base-Base interactions energy: -689.126 where: short stacking energy: -317.140 Base-Backbone interact. energy: -5.000 local terms energy: -348.893212 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -62.103 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: -92.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -978.315793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.315793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.315793 (E_RNA) where: Base-Base interactions energy: -631.888 where: short stacking energy: -278.576 Base-Backbone interact. energy: -0.793 local terms energy: -345.634741 where: bonds (distance) C4'-P energy: -73.845 bonds (distance) P-C4' energy: -64.109 flat angles C4'-P-C4' energy: -66.159 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -82.897 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: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -787.680229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.680229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.680229 (E_RNA) where: Base-Base interactions energy: -494.019 where: short stacking energy: -237.385 Base-Backbone interact. energy: 0.671 local terms energy: -294.332325 where: bonds (distance) C4'-P energy: -53.357 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -66.199 flat angles P-C4'-P energy: -44.674 tors. eta vs tors. theta energy: -64.654 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: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -803.179105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.179105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.179105 (E_RNA) where: Base-Base interactions energy: -524.171 where: short stacking energy: -243.018 Base-Backbone interact. energy: -1.267 local terms energy: -277.740388 where: bonds (distance) C4'-P energy: -56.372 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -65.696 flat angles P-C4'-P energy: -37.213 tors. eta vs tors. theta energy: -57.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -579.488014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.488014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.488014 (E_RNA) where: Base-Base interactions energy: -332.719 where: short stacking energy: -176.510 Base-Backbone interact. energy: 0.031 local terms energy: -246.800653 where: bonds (distance) C4'-P energy: -53.878 bonds (distance) P-C4' energy: -60.814 flat angles C4'-P-C4' energy: -58.834 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -29.216 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: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -434.612438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.612438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.612438 (E_RNA) where: Base-Base interactions energy: -237.214 where: short stacking energy: -111.026 Base-Backbone interact. energy: -1.188 local terms energy: -196.210354 where: bonds (distance) C4'-P energy: -51.279 bonds (distance) P-C4' energy: -62.820 flat angles C4'-P-C4' energy: -48.888 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: 3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -297.268573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.268573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.268573 (E_RNA) where: Base-Base interactions energy: -117.692 where: short stacking energy: -100.583 Base-Backbone interact. energy: 3.336 local terms energy: -182.912391 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -47.247 flat angles C4'-P-C4' energy: -41.536 flat angles P-C4'-P energy: -30.394 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -267.887883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.887883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.887883 (E_RNA) where: Base-Base interactions energy: -99.768 where: short stacking energy: -76.102 Base-Backbone interact. energy: -1.360 local terms energy: -166.759382 where: bonds (distance) C4'-P energy: -57.882 bonds (distance) P-C4' energy: -51.800 flat angles C4'-P-C4' energy: -48.045 flat angles P-C4'-P energy: -25.937 tors. eta vs tors. theta energy: 16.904 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: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1138.640530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.640530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.640530 (E_RNA) where: Base-Base interactions energy: -769.757 where: short stacking energy: -348.088 Base-Backbone interact. energy: -1.248 local terms energy: -367.636384 where: bonds (distance) C4'-P energy: -72.906 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -79.975 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -97.324 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: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1077.371533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.371533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.371533 (E_RNA) where: Base-Base interactions energy: -725.862 where: short stacking energy: -337.626 Base-Backbone interact. energy: -1.302 local terms energy: -350.208091 where: bonds (distance) C4'-P energy: -52.462 bonds (distance) P-C4' energy: -76.485 flat angles C4'-P-C4' energy: -76.316 flat angles P-C4'-P energy: -45.946 tors. eta vs tors. theta energy: -98.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1071.881927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.881927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.881927 (E_RNA) where: Base-Base interactions energy: -728.031 where: short stacking energy: -321.323 Base-Backbone interact. energy: -2.645 local terms energy: -341.205975 where: bonds (distance) C4'-P energy: -56.799 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -72.575 flat angles P-C4'-P energy: -49.198 tors. eta vs tors. theta energy: -100.878 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: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -992.409283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.409283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.409283 (E_RNA) where: Base-Base interactions energy: -648.410 where: short stacking energy: -290.679 Base-Backbone interact. energy: -1.222 local terms energy: -342.777218 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -66.419 flat angles C4'-P-C4' energy: -80.441 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -85.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -739.848929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.848929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.848929 (E_RNA) where: Base-Base interactions energy: -479.240 where: short stacking energy: -218.214 Base-Backbone interact. energy: 0.234 local terms energy: -260.842731 where: bonds (distance) C4'-P energy: -49.180 bonds (distance) P-C4' energy: -60.765 flat angles C4'-P-C4' energy: -75.135 flat angles P-C4'-P energy: -36.580 tors. eta vs tors. theta energy: -39.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -778.799695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.799695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.799695 (E_RNA) where: Base-Base interactions energy: -491.627 where: short stacking energy: -213.622 Base-Backbone interact. energy: -1.619 local terms energy: -285.553908 where: bonds (distance) C4'-P energy: -63.079 bonds (distance) P-C4' energy: -61.663 flat angles C4'-P-C4' energy: -56.266 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: -53.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -592.733331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.733331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.733331 (E_RNA) where: Base-Base interactions energy: -336.911 where: short stacking energy: -178.524 Base-Backbone interact. energy: -1.054 local terms energy: -254.767751 where: bonds (distance) C4'-P energy: -58.827 bonds (distance) P-C4' energy: -63.221 flat angles C4'-P-C4' energy: -58.135 flat angles P-C4'-P energy: -34.667 tors. eta vs tors. theta energy: -39.917 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: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -440.445532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.445532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.445532 (E_RNA) where: Base-Base interactions energy: -232.805 where: short stacking energy: -96.451 Base-Backbone interact. energy: 1.963 local terms energy: -209.603544 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -31.644 tors. eta vs tors. theta energy: 3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -332.098833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.098833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.098833 (E_RNA) where: Base-Base interactions energy: -137.622 where: short stacking energy: -95.925 Base-Backbone interact. energy: -1.103 local terms energy: -193.374250 where: bonds (distance) C4'-P energy: -47.494 bonds (distance) P-C4' energy: -42.718 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: 5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -280.469147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.469147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.469147 (E_RNA) where: Base-Base interactions energy: -90.757 where: short stacking energy: -55.662 Base-Backbone interact. energy: -2.529 local terms energy: -187.182578 where: bonds (distance) C4'-P energy: -50.358 bonds (distance) P-C4' energy: -77.697 flat angles C4'-P-C4' energy: -43.742 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: 23.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1150.778542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.778542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.778542 (E_RNA) where: Base-Base interactions energy: -782.966 where: short stacking energy: -350.625 Base-Backbone interact. energy: -1.042 local terms energy: -366.771081 where: bonds (distance) C4'-P energy: -69.853 bonds (distance) P-C4' energy: -69.734 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -56.128 tors. eta vs tors. theta energy: -99.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1056.214862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.214862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.214862 (E_RNA) where: Base-Base interactions energy: -716.428 where: short stacking energy: -340.661 Base-Backbone interact. energy: -1.651 local terms energy: -338.135468 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -77.723 flat angles P-C4'-P energy: -34.803 tors. eta vs tors. theta energy: -99.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1058.106624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.106624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.106624 (E_RNA) where: Base-Base interactions energy: -714.098 where: short stacking energy: -338.903 Base-Backbone interact. energy: -0.610 local terms energy: -343.398978 where: bonds (distance) C4'-P energy: -70.347 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: -96.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -985.302646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.302646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.302646 (E_RNA) where: Base-Base interactions energy: -657.835 where: short stacking energy: -294.803 Base-Backbone interact. energy: -0.452 local terms energy: -327.015477 where: bonds (distance) C4'-P energy: -62.435 bonds (distance) P-C4' energy: -53.129 flat angles C4'-P-C4' energy: -77.045 flat angles P-C4'-P energy: -53.600 tors. eta vs tors. theta energy: -80.807 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: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -787.032128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.032128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.032128 (E_RNA) where: Base-Base interactions energy: -523.105 where: short stacking energy: -246.120 Base-Backbone interact. energy: -0.888 local terms energy: -263.039105 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -54.603 flat angles C4'-P-C4' energy: -73.197 flat angles P-C4'-P energy: -29.288 tors. eta vs tors. theta energy: -48.032 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: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -764.616547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.616547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.616547 (E_RNA) where: Base-Base interactions energy: -500.296 where: short stacking energy: -220.764 Base-Backbone interact. energy: -0.558 local terms energy: -263.762393 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -67.484 flat angles C4'-P-C4' energy: -56.771 flat angles P-C4'-P energy: -38.266 tors. eta vs tors. theta energy: -46.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -648.952743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.952743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.952743 (E_RNA) where: Base-Base interactions energy: -389.703 where: short stacking energy: -187.964 Base-Backbone interact. energy: -1.931 local terms energy: -257.317993 where: bonds (distance) C4'-P energy: -58.625 bonds (distance) P-C4' energy: -51.461 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -30.773 tors. eta vs tors. theta energy: -51.795 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: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -458.239789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.239789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.239789 (E_RNA) where: Base-Base interactions energy: -206.595 where: short stacking energy: -132.811 Base-Backbone interact. energy: -1.250 local terms energy: -250.394750 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -67.708 flat angles C4'-P-C4' energy: -63.686 flat angles P-C4'-P energy: -42.453 tors. eta vs tors. theta energy: -22.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -329.191185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.191185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.191185 (E_RNA) where: Base-Base interactions energy: -131.948 where: short stacking energy: -96.619 Base-Backbone interact. energy: 0.621 local terms energy: -197.864461 where: bonds (distance) C4'-P energy: -54.063 bonds (distance) P-C4' energy: -57.531 flat angles C4'-P-C4' energy: -45.121 flat angles P-C4'-P energy: -31.296 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -290.587968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.587968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.587968 (E_RNA) where: Base-Base interactions energy: -92.407 where: short stacking energy: -78.753 Base-Backbone interact. energy: 5.011 local terms energy: -203.192269 where: bonds (distance) C4'-P energy: -61.749 bonds (distance) P-C4' energy: -60.003 flat angles C4'-P-C4' energy: -60.979 flat angles P-C4'-P energy: -29.567 tors. eta vs tors. theta energy: 9.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1114.588219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.588219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.588219 (E_RNA) where: Base-Base interactions energy: -757.793 where: short stacking energy: -317.530 Base-Backbone interact. energy: -1.582 local terms energy: -355.213489 where: bonds (distance) C4'-P energy: -56.382 bonds (distance) P-C4' energy: -69.811 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -50.225 tors. eta vs tors. theta energy: -100.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1067.298137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.298137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.298137 (E_RNA) where: Base-Base interactions energy: -685.165 where: short stacking energy: -315.339 Base-Backbone interact. energy: -1.573 local terms energy: -380.560715 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -73.764 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: -95.303 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: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1047.865752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.865752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.865752 (E_RNA) where: Base-Base interactions energy: -676.024 where: short stacking energy: -312.504 Base-Backbone interact. energy: -0.741 local terms energy: -371.100455 where: bonds (distance) C4'-P energy: -75.653 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -84.168 flat angles P-C4'-P energy: -48.679 tors. eta vs tors. theta energy: -95.457 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: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -981.763047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.763047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.763047 (E_RNA) where: Base-Base interactions energy: -637.673 where: short stacking energy: -299.995 Base-Backbone interact. energy: 0.102 local terms energy: -344.192218 where: bonds (distance) C4'-P energy: -64.062 bonds (distance) P-C4' energy: -67.647 flat angles C4'-P-C4' energy: -77.557 flat angles P-C4'-P energy: -48.771 tors. eta vs tors. theta energy: -86.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -836.020374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.020374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.020374 (E_RNA) where: Base-Base interactions energy: -542.968 where: short stacking energy: -251.851 Base-Backbone interact. energy: -2.256 local terms energy: -290.796815 where: bonds (distance) C4'-P energy: -72.595 bonds (distance) P-C4' energy: -63.322 flat angles C4'-P-C4' energy: -57.062 flat angles P-C4'-P energy: -45.660 tors. eta vs tors. theta energy: -52.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -809.329299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.329299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.329299 (E_RNA) where: Base-Base interactions energy: -532.548 where: short stacking energy: -239.809 Base-Backbone interact. energy: -0.154 local terms energy: -276.627275 where: bonds (distance) C4'-P energy: -48.848 bonds (distance) P-C4' energy: -68.309 flat angles C4'-P-C4' energy: -63.495 flat angles P-C4'-P energy: -34.742 tors. eta vs tors. theta energy: -61.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -672.495522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.495522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.495522 (E_RNA) where: Base-Base interactions energy: -403.387 where: short stacking energy: -199.202 Base-Backbone interact. energy: 0.491 local terms energy: -269.599932 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -67.360 flat angles C4'-P-C4' energy: -65.023 flat angles P-C4'-P energy: -35.981 tors. eta vs tors. theta energy: -33.502 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: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -362.698254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.698254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.698254 (E_RNA) where: Base-Base interactions energy: -137.458 where: short stacking energy: -114.163 Base-Backbone interact. energy: 0.676 local terms energy: -225.915912 where: bonds (distance) C4'-P energy: -59.260 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -56.235 flat angles P-C4'-P energy: -38.090 tors. eta vs tors. theta energy: -12.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -379.606494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.606494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.606494 (E_RNA) where: Base-Base interactions energy: -183.013 where: short stacking energy: -117.997 Base-Backbone interact. energy: 5.103 local terms energy: -201.696261 where: bonds (distance) C4'-P energy: -51.424 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -43.113 flat angles P-C4'-P energy: -33.172 tors. eta vs tors. theta energy: -12.783 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: 3 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -270.404066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.404066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.404066 (E_RNA) where: Base-Base interactions energy: -97.940 where: short stacking energy: -91.521 Base-Backbone interact. energy: -0.098 local terms energy: -172.365395 where: bonds (distance) C4'-P energy: -55.505 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -34.325 flat angles P-C4'-P energy: -22.442 tors. eta vs tors. theta energy: 5.240 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: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1133.194259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.194259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.194259 (E_RNA) where: Base-Base interactions energy: -779.121 where: short stacking energy: -334.568 Base-Backbone interact. energy: -0.787 local terms energy: -353.286141 where: bonds (distance) C4'-P energy: -68.180 bonds (distance) P-C4' energy: -70.481 flat angles C4'-P-C4' energy: -75.249 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -100.860 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: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1094.871125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.871125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.871125 (E_RNA) where: Base-Base interactions energy: -725.657 where: short stacking energy: -333.902 Base-Backbone interact. energy: -1.653 local terms energy: -367.561214 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -68.293 flat angles C4'-P-C4' energy: -79.813 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -102.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1017.234415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.234415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.234415 (E_RNA) where: Base-Base interactions energy: -684.441 where: short stacking energy: -296.094 Base-Backbone interact. energy: -1.840 local terms energy: -330.954060 where: bonds (distance) C4'-P energy: -58.306 bonds (distance) P-C4' energy: -65.842 flat angles C4'-P-C4' energy: -72.772 flat angles P-C4'-P energy: -54.377 tors. eta vs tors. theta energy: -79.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1009.387226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.387226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.387226 (E_RNA) where: Base-Base interactions energy: -669.607 where: short stacking energy: -277.380 Base-Backbone interact. energy: -0.183 local terms energy: -339.596724 where: bonds (distance) C4'-P energy: -71.993 bonds (distance) P-C4' energy: -60.580 flat angles C4'-P-C4' energy: -61.332 flat angles P-C4'-P energy: -60.028 tors. eta vs tors. theta energy: -85.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -826.095214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.095214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.095214 (E_RNA) where: Base-Base interactions energy: -542.090 where: short stacking energy: -239.954 Base-Backbone interact. energy: -2.027 local terms energy: -281.978294 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -65.570 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -51.314 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: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -842.317918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.317918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.317918 (E_RNA) where: Base-Base interactions energy: -545.671 where: short stacking energy: -227.791 Base-Backbone interact. energy: -1.238 local terms energy: -295.408114 where: bonds (distance) C4'-P energy: -58.660 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -57.469 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: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -602.164722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.164722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.164722 (E_RNA) where: Base-Base interactions energy: -355.541 where: short stacking energy: -168.984 Base-Backbone interact. energy: 0.329 local terms energy: -246.952533 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -28.282 tors. eta vs tors. theta energy: -33.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -376.149828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.149828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.149828 (E_RNA) where: Base-Base interactions energy: -174.180 where: short stacking energy: -126.025 Base-Backbone interact. energy: -0.769 local terms energy: -201.201423 where: bonds (distance) C4'-P energy: -53.517 bonds (distance) P-C4' energy: -55.313 flat angles C4'-P-C4' energy: -55.499 flat angles P-C4'-P energy: -24.342 tors. eta vs tors. theta energy: -12.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -407.515086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.515086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.515086 (E_RNA) where: Base-Base interactions energy: -180.549 where: short stacking energy: -104.395 Base-Backbone interact. energy: -0.845 local terms energy: -226.121472 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -48.008 flat angles P-C4'-P energy: -48.860 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -311.070572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.070572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.070572 (E_RNA) where: Base-Base interactions energy: -125.857 where: short stacking energy: -95.875 Base-Backbone interact. energy: 0.888 local terms energy: -186.100722 where: bonds (distance) C4'-P energy: -51.102 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -49.611 flat angles P-C4'-P energy: -31.301 tors. eta vs tors. theta energy: 5.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1135.456852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.456852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.456852 (E_RNA) where: Base-Base interactions energy: -780.136 where: short stacking energy: -337.655 Base-Backbone interact. energy: 1.500 local terms energy: -356.821076 where: bonds (distance) C4'-P energy: -68.145 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -81.429 flat angles P-C4'-P energy: -51.716 tors. eta vs tors. theta energy: -92.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1100.311837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.311837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.311837 (E_RNA) where: Base-Base interactions energy: -743.216 where: short stacking energy: -332.801 Base-Backbone interact. energy: -1.093 local terms energy: -356.002269 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -73.598 flat angles C4'-P-C4' energy: -76.441 flat angles P-C4'-P energy: -52.509 tors. eta vs tors. theta energy: -97.981 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: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1004.271102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.271102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.271102 (E_RNA) where: Base-Base interactions energy: -646.648 where: short stacking energy: -298.157 Base-Backbone interact. energy: -0.460 local terms energy: -357.163069 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -75.566 flat angles C4'-P-C4' energy: -75.763 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -86.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1004.530211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.530211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.530211 (E_RNA) where: Base-Base interactions energy: -664.167 where: short stacking energy: -307.233 Base-Backbone interact. energy: -0.338 local terms energy: -340.025568 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -64.648 flat angles P-C4'-P energy: -49.427 tors. eta vs tors. theta energy: -90.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -807.510839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.510839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.510839 (E_RNA) where: Base-Base interactions energy: -508.571 where: short stacking energy: -243.857 Base-Backbone interact. energy: -0.049 local terms energy: -298.891087 where: bonds (distance) C4'-P energy: -60.243 bonds (distance) P-C4' energy: -55.192 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -64.394 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: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -810.132494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.132494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.132494 (E_RNA) where: Base-Base interactions energy: -537.124 where: short stacking energy: -217.076 Base-Backbone interact. energy: -1.734 local terms energy: -271.274495 where: bonds (distance) C4'-P energy: -56.975 bonds (distance) P-C4' energy: -66.400 flat angles C4'-P-C4' energy: -57.653 flat angles P-C4'-P energy: -38.424 tors. eta vs tors. theta energy: -51.823 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: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -606.503624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.503624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.503624 (E_RNA) where: Base-Base interactions energy: -354.836 where: short stacking energy: -172.400 Base-Backbone interact. energy: 0.374 local terms energy: -252.041708 where: bonds (distance) C4'-P energy: -61.817 bonds (distance) P-C4' energy: -65.701 flat angles C4'-P-C4' energy: -49.257 flat angles P-C4'-P energy: -34.843 tors. eta vs tors. theta energy: -40.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -407.091469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.091469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.091469 (E_RNA) where: Base-Base interactions energy: -202.869 where: short stacking energy: -140.589 Base-Backbone interact. energy: -2.933 local terms energy: -201.289759 where: bonds (distance) C4'-P energy: -57.795 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -59.304 flat angles P-C4'-P energy: -17.671 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -379.758191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.758191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.758191 (E_RNA) where: Base-Base interactions energy: -176.448 where: short stacking energy: -100.400 Base-Backbone interact. energy: -0.101 local terms energy: -203.209590 where: bonds (distance) C4'-P energy: -57.877 bonds (distance) P-C4' energy: -66.861 flat angles C4'-P-C4' energy: -39.867 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: -0.345 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: 10, replica: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -294.306276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.306276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.306276 (E_RNA) where: Base-Base interactions energy: -99.645 where: short stacking energy: -91.075 Base-Backbone interact. energy: 0.402 local terms energy: -195.062895 where: bonds (distance) C4'-P energy: -44.273 bonds (distance) P-C4' energy: -61.249 flat angles C4'-P-C4' energy: -52.468 flat angles P-C4'-P energy: -37.261 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1128.538988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.538988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.538988 (E_RNA) where: Base-Base interactions energy: -782.552 where: short stacking energy: -331.677 Base-Backbone interact. energy: -0.154 local terms energy: -345.833072 where: bonds (distance) C4'-P energy: -64.658 bonds (distance) P-C4' energy: -70.585 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: -92.505 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: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1073.551540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.551540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.551540 (E_RNA) where: Base-Base interactions energy: -710.050 where: short stacking energy: -328.930 Base-Backbone interact. energy: -1.671 local terms energy: -361.830181 where: bonds (distance) C4'-P energy: -69.319 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -69.828 flat angles P-C4'-P energy: -54.910 tors. eta vs tors. theta energy: -97.014 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: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1049.095048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.095048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.095048 (E_RNA) where: Base-Base interactions energy: -678.129 where: short stacking energy: -320.589 Base-Backbone interact. energy: -2.374 local terms energy: -368.592160 where: bonds (distance) C4'-P energy: -72.888 bonds (distance) P-C4' energy: -67.189 flat angles C4'-P-C4' energy: -77.191 flat angles P-C4'-P energy: -53.952 tors. eta vs tors. theta energy: -97.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1027.331411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.331411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.331411 (E_RNA) where: Base-Base interactions energy: -680.922 where: short stacking energy: -309.613 Base-Backbone interact. energy: -1.437 local terms energy: -344.972612 where: bonds (distance) C4'-P energy: -55.655 bonds (distance) P-C4' energy: -68.081 flat angles C4'-P-C4' energy: -79.642 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -94.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -856.160641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.160641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.160641 (E_RNA) where: Base-Base interactions energy: -556.817 where: short stacking energy: -253.803 Base-Backbone interact. energy: 0.988 local terms energy: -300.331689 where: bonds (distance) C4'-P energy: -66.372 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -61.607 flat angles P-C4'-P energy: -46.246 tors. eta vs tors. theta energy: -58.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -808.320355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.320355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.320355 (E_RNA) where: Base-Base interactions energy: -541.626 where: short stacking energy: -218.547 Base-Backbone interact. energy: 1.961 local terms energy: -268.655143 where: bonds (distance) C4'-P energy: -54.470 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -66.410 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -40.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -647.294564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.294564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.294564 (E_RNA) where: Base-Base interactions energy: -393.785 where: short stacking energy: -187.794 Base-Backbone interact. energy: -0.976 local terms energy: -252.534014 where: bonds (distance) C4'-P energy: -60.870 bonds (distance) P-C4' energy: -63.562 flat angles C4'-P-C4' energy: -47.954 flat angles P-C4'-P energy: -47.178 tors. eta vs tors. theta energy: -32.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -402.106616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.106616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.106616 (E_RNA) where: Base-Base interactions energy: -183.827 where: short stacking energy: -140.857 Base-Backbone interact. energy: -0.837 local terms energy: -217.442436 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -64.685 flat angles C4'-P-C4' energy: -43.933 flat angles P-C4'-P energy: -36.150 tors. eta vs tors. theta energy: -12.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -452.432563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.432563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.432563 (E_RNA) where: Base-Base interactions energy: -230.783 where: short stacking energy: -123.373 Base-Backbone interact. energy: 2.885 local terms energy: -224.534977 where: bonds (distance) C4'-P energy: -52.982 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -52.654 flat angles P-C4'-P energy: -33.337 tors. eta vs tors. theta energy: -20.199 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: 10, replica: 3 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -305.741980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.741980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.741980 (E_RNA) where: Base-Base interactions energy: -117.206 where: short stacking energy: -107.376 Base-Backbone interact. energy: 3.068 local terms energy: -191.604302 where: bonds (distance) C4'-P energy: -56.182 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -45.042 flat angles P-C4'-P energy: -22.864 tors. eta vs tors. theta energy: -4.418 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: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1132.306916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.306916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.306916 (E_RNA) where: Base-Base interactions energy: -770.851 where: short stacking energy: -343.897 Base-Backbone interact. energy: -3.761 local terms energy: -357.695308 where: bonds (distance) C4'-P energy: -71.888 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -80.570 flat angles P-C4'-P energy: -42.620 tors. eta vs tors. theta energy: -95.402 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: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1097.664264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.664264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.664264 (E_RNA) where: Base-Base interactions energy: -734.084 where: short stacking energy: -335.946 Base-Backbone interact. energy: -3.742 local terms energy: -359.838117 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -74.953 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -52.073 tors. eta vs tors. theta energy: -95.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1022.649350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.649350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.649350 (E_RNA) where: Base-Base interactions energy: -676.047 where: short stacking energy: -302.028 Base-Backbone interact. energy: -0.722 local terms energy: -345.879945 where: bonds (distance) C4'-P energy: -62.431 bonds (distance) P-C4' energy: -75.486 flat angles C4'-P-C4' energy: -80.004 flat angles P-C4'-P energy: -41.355 tors. eta vs tors. theta energy: -86.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -992.734461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.734461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.734461 (E_RNA) where: Base-Base interactions energy: -670.763 where: short stacking energy: -305.023 Base-Backbone interact. energy: -1.893 local terms energy: -320.079159 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -58.992 flat angles C4'-P-C4' energy: -66.813 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -88.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -864.502836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.502836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.502836 (E_RNA) where: Base-Base interactions energy: -561.993 where: short stacking energy: -274.395 Base-Backbone interact. energy: -0.462 local terms energy: -302.047967 where: bonds (distance) C4'-P energy: -61.906 bonds (distance) P-C4' energy: -56.908 flat angles C4'-P-C4' energy: -68.956 flat angles P-C4'-P energy: -34.331 tors. eta vs tors. theta energy: -79.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -767.027452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.027452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.027452 (E_RNA) where: Base-Base interactions energy: -481.769 where: short stacking energy: -223.926 Base-Backbone interact. energy: 0.578 local terms energy: -285.836643 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -65.777 flat angles P-C4'-P energy: -38.312 tors. eta vs tors. theta energy: -59.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -627.679022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.679022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.679022 (E_RNA) where: Base-Base interactions energy: -383.298 where: short stacking energy: -176.979 Base-Backbone interact. energy: -1.316 local terms energy: -243.064756 where: bonds (distance) C4'-P energy: -49.780 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -55.669 flat angles P-C4'-P energy: -37.097 tors. eta vs tors. theta energy: -34.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -409.268856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.268856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.268856 (E_RNA) where: Base-Base interactions energy: -204.277 where: short stacking energy: -134.671 Base-Backbone interact. energy: 7.196 local terms energy: -212.187837 where: bonds (distance) C4'-P energy: -53.824 bonds (distance) P-C4' energy: -69.739 flat angles C4'-P-C4' energy: -53.155 flat angles P-C4'-P energy: -29.718 tors. eta vs tors. theta energy: -5.751 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: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -388.879828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.879828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.879828 (E_RNA) where: Base-Base interactions energy: -157.617 where: short stacking energy: -103.265 Base-Backbone interact. energy: -1.272 local terms energy: -229.990735 where: bonds (distance) C4'-P energy: -55.447 bonds (distance) P-C4' energy: -72.170 flat angles C4'-P-C4' energy: -60.694 flat angles P-C4'-P energy: -38.994 tors. eta vs tors. theta energy: -2.686 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: 3 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -283.861754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.861754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.861754 (E_RNA) where: Base-Base interactions energy: -97.046 where: short stacking energy: -84.420 Base-Backbone interact. energy: -3.282 local terms energy: -183.533163 where: bonds (distance) C4'-P energy: -53.070 bonds (distance) P-C4' energy: -47.788 flat angles C4'-P-C4' energy: -59.065 flat angles P-C4'-P energy: -22.827 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1123.211694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.211694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.211694 (E_RNA) where: Base-Base interactions energy: -765.874 where: short stacking energy: -329.050 Base-Backbone interact. energy: -0.481 local terms energy: -356.856440 where: bonds (distance) C4'-P energy: -76.293 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -72.579 flat angles P-C4'-P energy: -48.790 tors. eta vs tors. theta energy: -95.410 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: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1086.111818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.111818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.111818 (E_RNA) where: Base-Base interactions energy: -697.330 where: short stacking energy: -329.130 Base-Backbone interact. energy: -4.483 local terms energy: -384.299372 where: bonds (distance) C4'-P energy: -70.446 bonds (distance) P-C4' energy: -80.899 flat angles C4'-P-C4' energy: -83.879 flat angles P-C4'-P energy: -53.524 tors. eta vs tors. theta energy: -95.551 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: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1046.640552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.640552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.640552 (E_RNA) where: Base-Base interactions energy: -691.493 where: short stacking energy: -329.491 Base-Backbone interact. energy: -0.018 local terms energy: -355.129685 where: bonds (distance) C4'-P energy: -72.384 bonds (distance) P-C4' energy: -55.212 flat angles C4'-P-C4' energy: -77.883 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -104.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -973.055947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.055947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.055947 (E_RNA) where: Base-Base interactions energy: -635.741 where: short stacking energy: -295.873 Base-Backbone interact. energy: -1.368 local terms energy: -335.947220 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -77.027 flat angles P-C4'-P energy: -43.905 tors. eta vs tors. theta energy: -87.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -837.840492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.840492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.840492 (E_RNA) where: Base-Base interactions energy: -515.485 where: short stacking energy: -237.592 Base-Backbone interact. energy: -0.855 local terms energy: -321.499918 where: bonds (distance) C4'-P energy: -66.808 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -71.581 flat angles P-C4'-P energy: -46.640 tors. eta vs tors. theta energy: -72.061 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: 172 Temperature: 1.150000 Total energy: -793.725636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.725636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.725636 (E_RNA) where: Base-Base interactions energy: -495.005 where: short stacking energy: -235.038 Base-Backbone interact. energy: -0.398 local terms energy: -298.321987 where: bonds (distance) C4'-P energy: -66.174 bonds (distance) P-C4' energy: -59.877 flat angles C4'-P-C4' energy: -59.814 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -68.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -626.150120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.150120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.150120 (E_RNA) where: Base-Base interactions energy: -379.125 where: short stacking energy: -204.680 Base-Backbone interact. energy: -0.852 local terms energy: -246.173384 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -59.292 flat angles C4'-P-C4' energy: -57.301 flat angles P-C4'-P energy: -40.786 tors. eta vs tors. theta energy: -31.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -460.847843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.847843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.847843 (E_RNA) where: Base-Base interactions energy: -231.335 where: short stacking energy: -140.951 Base-Backbone interact. energy: 0.119 local terms energy: -229.632397 where: bonds (distance) C4'-P energy: -59.407 bonds (distance) P-C4' energy: -55.092 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -28.442 tors. eta vs tors. theta energy: -15.251 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -436.786082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.786082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.786082 (E_RNA) where: Base-Base interactions energy: -227.628 where: short stacking energy: -129.386 Base-Backbone interact. energy: 1.760 local terms energy: -210.917631 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -60.273 flat angles C4'-P-C4' energy: -51.293 flat angles P-C4'-P energy: -21.523 tors. eta vs tors. theta energy: -19.176 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: 10, replica: 3 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -280.813585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.813585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.813585 (E_RNA) where: Base-Base interactions energy: -96.930 where: short stacking energy: -71.855 Base-Backbone interact. energy: 1.273 local terms energy: -185.156361 where: bonds (distance) C4'-P energy: -54.619 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -42.535 flat angles P-C4'-P energy: -27.021 tors. eta vs tors. theta energy: 4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1126.873337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.873337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.873337 (E_RNA) where: Base-Base interactions energy: -767.685 where: short stacking energy: -327.486 Base-Backbone interact. energy: -0.764 local terms energy: -358.424853 where: bonds (distance) C4'-P energy: -61.741 bonds (distance) P-C4' energy: -78.256 flat angles C4'-P-C4' energy: -80.135 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: -85.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1095.670086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.670086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.670086 (E_RNA) where: Base-Base interactions energy: -726.033 where: short stacking energy: -346.436 Base-Backbone interact. energy: -2.479 local terms energy: -367.157454 where: bonds (distance) C4'-P energy: -58.375 bonds (distance) P-C4' energy: -75.583 flat angles C4'-P-C4' energy: -71.200 flat angles P-C4'-P energy: -52.695 tors. eta vs tors. theta energy: -109.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1066.236904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.236904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.236904 (E_RNA) where: Base-Base interactions energy: -704.287 where: short stacking energy: -312.281 Base-Backbone interact. energy: -2.427 local terms energy: -359.523818 where: bonds (distance) C4'-P energy: -66.886 bonds (distance) P-C4' energy: -69.449 flat angles C4'-P-C4' energy: -68.748 flat angles P-C4'-P energy: -60.674 tors. eta vs tors. theta energy: -93.766 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: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1005.462780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.462780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.462780 (E_RNA) where: Base-Base interactions energy: -691.880 where: short stacking energy: -324.881 Base-Backbone interact. energy: -1.646 local terms energy: -311.936955 where: bonds (distance) C4'-P energy: -66.787 bonds (distance) P-C4' energy: -58.346 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -88.175 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: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -853.633285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.633285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.633285 (E_RNA) where: Base-Base interactions energy: -554.686 where: short stacking energy: -246.551 Base-Backbone interact. energy: -1.125 local terms energy: -297.822130 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -55.669 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -52.170 tors. eta vs tors. theta energy: -63.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -779.624532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.624532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.624532 (E_RNA) where: Base-Base interactions energy: -493.185 where: short stacking energy: -231.425 Base-Backbone interact. energy: -0.464 local terms energy: -285.975142 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -66.256 flat angles C4'-P-C4' energy: -60.791 flat angles P-C4'-P energy: -42.776 tors. eta vs tors. theta energy: -53.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -616.206695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.206695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.206695 (E_RNA) where: Base-Base interactions energy: -368.690 where: short stacking energy: -197.337 Base-Backbone interact. energy: -0.730 local terms energy: -246.786768 where: bonds (distance) C4'-P energy: -47.304 bonds (distance) P-C4' energy: -58.085 flat angles C4'-P-C4' energy: -58.978 flat angles P-C4'-P energy: -41.682 tors. eta vs tors. theta energy: -40.738 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -468.176162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.176162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.176162 (E_RNA) where: Base-Base interactions energy: -258.942 where: short stacking energy: -133.095 Base-Backbone interact. energy: -0.902 local terms energy: -208.331756 where: bonds (distance) C4'-P energy: -49.026 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -49.395 flat angles P-C4'-P energy: -25.141 tors. eta vs tors. theta energy: -21.633 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: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -426.600089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.600089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.600089 (E_RNA) where: Base-Base interactions energy: -211.038 where: short stacking energy: -112.007 Base-Backbone interact. energy: -3.699 local terms energy: -211.862740 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -55.681 flat angles P-C4'-P energy: -37.418 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -291.553485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.553485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.553485 (E_RNA) where: Base-Base interactions energy: -116.082 where: short stacking energy: -104.884 Base-Backbone interact. energy: -0.244 local terms energy: -175.227021 where: bonds (distance) C4'-P energy: -48.737 bonds (distance) P-C4' energy: -58.647 flat angles C4'-P-C4' energy: -41.560 flat angles P-C4'-P energy: -33.064 tors. eta vs tors. theta energy: 6.781 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: 174 Temperature: 0.900000 Total energy: -1149.017933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.017933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.017933 (E_RNA) where: Base-Base interactions energy: -771.226 where: short stacking energy: -316.712 Base-Backbone interact. energy: -4.019 local terms energy: -373.772432 where: bonds (distance) C4'-P energy: -72.919 bonds (distance) P-C4' energy: -78.358 flat angles C4'-P-C4' energy: -81.841 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: -90.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1071.201990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.201990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.201990 (E_RNA) where: Base-Base interactions energy: -700.458 where: short stacking energy: -322.178 Base-Backbone interact. energy: -2.854 local terms energy: -367.889926 where: bonds (distance) C4'-P energy: -80.573 bonds (distance) P-C4' energy: -68.614 flat angles C4'-P-C4' energy: -74.220 flat angles P-C4'-P energy: -46.318 tors. eta vs tors. theta energy: -98.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1062.114670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.114670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.114670 (E_RNA) where: Base-Base interactions energy: -705.222 where: short stacking energy: -334.021 Base-Backbone interact. energy: -4.752 local terms energy: -352.140321 where: bonds (distance) C4'-P energy: -65.892 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -79.420 flat angles P-C4'-P energy: -39.801 tors. eta vs tors. theta energy: -101.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1039.528867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.528867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.528867 (E_RNA) where: Base-Base interactions energy: -704.539 where: short stacking energy: -333.802 Base-Backbone interact. energy: -2.168 local terms energy: -332.822198 where: bonds (distance) C4'-P energy: -56.445 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -73.693 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -93.920 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: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -829.703493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.703493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.703493 (E_RNA) where: Base-Base interactions energy: -550.162 where: short stacking energy: -233.860 Base-Backbone interact. energy: 0.398 local terms energy: -279.939608 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -60.514 flat angles C4'-P-C4' energy: -64.553 flat angles P-C4'-P energy: -40.025 tors. eta vs tors. theta energy: -56.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -791.770400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.770400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.770400 (E_RNA) where: Base-Base interactions energy: -493.253 where: short stacking energy: -244.684 Base-Backbone interact. energy: -1.114 local terms energy: -297.403839 where: bonds (distance) C4'-P energy: -50.603 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -68.197 flat angles P-C4'-P energy: -54.440 tors. eta vs tors. theta energy: -67.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -666.959199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.959199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.959199 (E_RNA) where: Base-Base interactions energy: -418.647 where: short stacking energy: -173.605 Base-Backbone interact. energy: -1.058 local terms energy: -247.254920 where: bonds (distance) C4'-P energy: -54.374 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -37.846 tors. eta vs tors. theta energy: -36.333 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: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -449.010825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.010825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.010825 (E_RNA) where: Base-Base interactions energy: -216.936 where: short stacking energy: -136.985 Base-Backbone interact. energy: -0.920 local terms energy: -231.154963 where: bonds (distance) C4'-P energy: -48.213 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -56.857 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -19.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -443.359205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.359205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.359205 (E_RNA) where: Base-Base interactions energy: -238.400 where: short stacking energy: -134.464 Base-Backbone interact. energy: 1.988 local terms energy: -206.947091 where: bonds (distance) C4'-P energy: -50.702 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -50.436 flat angles P-C4'-P energy: -40.675 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: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -286.490375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.490375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.490375 (E_RNA) where: Base-Base interactions energy: -104.507 where: short stacking energy: -95.862 Base-Backbone interact. energy: 0.215 local terms energy: -182.198365 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -49.250 flat angles P-C4'-P energy: -24.518 tors. eta vs tors. theta energy: 3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1125.184479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.184479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.184479 (E_RNA) where: Base-Base interactions energy: -767.083 where: short stacking energy: -314.946 Base-Backbone interact. energy: -1.035 local terms energy: -357.065984 where: bonds (distance) C4'-P energy: -67.418 bonds (distance) P-C4' energy: -70.228 flat angles C4'-P-C4' energy: -79.529 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: -91.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1096.414721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.414721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.414721 (E_RNA) where: Base-Base interactions energy: -730.408 where: short stacking energy: -340.603 Base-Backbone interact. energy: -0.180 local terms energy: -365.826745 where: bonds (distance) C4'-P energy: -71.968 bonds (distance) P-C4' energy: -70.506 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -98.835 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: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1032.147592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.147592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.147592 (E_RNA) where: Base-Base interactions energy: -681.322 where: short stacking energy: -331.414 Base-Backbone interact. energy: -1.550 local terms energy: -349.275016 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -69.632 flat angles C4'-P-C4' energy: -72.684 flat angles P-C4'-P energy: -42.412 tors. eta vs tors. theta energy: -104.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1022.149020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.149020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.149020 (E_RNA) where: Base-Base interactions energy: -684.088 where: short stacking energy: -310.337 Base-Backbone interact. energy: -1.404 local terms energy: -336.657542 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -61.788 flat angles C4'-P-C4' energy: -76.121 flat angles P-C4'-P energy: -47.937 tors. eta vs tors. theta energy: -88.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -848.075126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.075126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.075126 (E_RNA) where: Base-Base interactions energy: -540.159 where: short stacking energy: -266.350 Base-Backbone interact. energy: -0.646 local terms energy: -307.269971 where: bonds (distance) C4'-P energy: -70.338 bonds (distance) P-C4' energy: -53.342 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -46.452 tors. eta vs tors. theta energy: -66.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -834.472782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.472782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.472782 (E_RNA) where: Base-Base interactions energy: -531.832 where: short stacking energy: -265.208 Base-Backbone interact. energy: -1.253 local terms energy: -301.387619 where: bonds (distance) C4'-P energy: -56.404 bonds (distance) P-C4' energy: -59.006 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -43.755 tors. eta vs tors. theta energy: -71.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -691.879464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.879464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.879464 (E_RNA) where: Base-Base interactions energy: -419.747 where: short stacking energy: -202.708 Base-Backbone interact. energy: -3.071 local terms energy: -269.061543 where: bonds (distance) C4'-P energy: -62.211 bonds (distance) P-C4' energy: -50.414 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -47.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -434.583792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.583792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.583792 (E_RNA) where: Base-Base interactions energy: -214.254 where: short stacking energy: -104.798 Base-Backbone interact. energy: -2.416 local terms energy: -217.913125 where: bonds (distance) C4'-P energy: -64.826 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -60.995 flat angles P-C4'-P energy: -26.058 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -397.021195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.021195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.021195 (E_RNA) where: Base-Base interactions energy: -195.871 where: short stacking energy: -118.028 Base-Backbone interact. energy: -1.038 local terms energy: -200.111454 where: bonds (distance) C4'-P energy: -64.466 bonds (distance) P-C4' energy: -56.905 flat angles C4'-P-C4' energy: -52.468 flat angles P-C4'-P energy: -25.073 tors. eta vs tors. theta energy: -1.200 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: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -281.800077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.800077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.800077 (E_RNA) where: Base-Base interactions energy: -86.431 where: short stacking energy: -72.106 Base-Backbone interact. energy: -0.699 local terms energy: -194.669473 where: bonds (distance) C4'-P energy: -51.476 bonds (distance) P-C4' energy: -62.891 flat angles C4'-P-C4' energy: -46.212 flat angles P-C4'-P energy: -41.070 tors. eta vs tors. theta energy: 6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1146.925242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.925242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.925242 (E_RNA) where: Base-Base interactions energy: -782.061 where: short stacking energy: -360.283 Base-Backbone interact. energy: 0.331 local terms energy: -365.195224 where: bonds (distance) C4'-P energy: -67.403 bonds (distance) P-C4' energy: -72.405 flat angles C4'-P-C4' energy: -81.010 flat angles P-C4'-P energy: -46.470 tors. eta vs tors. theta energy: -97.908 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: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1135.422863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.422863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.422863 (E_RNA) where: Base-Base interactions energy: -756.229 where: short stacking energy: -366.073 Base-Backbone interact. energy: -0.726 local terms energy: -378.468218 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -78.632 flat angles P-C4'-P energy: -56.705 tors. eta vs tors. theta energy: -107.906 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: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1020.568735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.568735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.568735 (E_RNA) where: Base-Base interactions energy: -676.695 where: short stacking energy: -306.799 Base-Backbone interact. energy: -0.731 local terms energy: -343.142799 where: bonds (distance) C4'-P energy: -67.282 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -68.728 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -89.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1011.198762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.198762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.198762 (E_RNA) where: Base-Base interactions energy: -683.940 where: short stacking energy: -312.255 Base-Backbone interact. energy: -0.192 local terms energy: -327.066095 where: bonds (distance) C4'-P energy: -60.443 bonds (distance) P-C4' energy: -58.469 flat angles C4'-P-C4' energy: -67.409 flat angles P-C4'-P energy: -47.263 tors. eta vs tors. theta energy: -93.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -824.511170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.511170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.511170 (E_RNA) where: Base-Base interactions energy: -524.839 where: short stacking energy: -239.578 Base-Backbone interact. energy: -1.265 local terms energy: -298.406348 where: bonds (distance) C4'-P energy: -66.132 bonds (distance) P-C4' energy: -55.887 flat angles C4'-P-C4' energy: -73.852 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -64.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -756.671425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.671425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.671425 (E_RNA) where: Base-Base interactions energy: -468.513 where: short stacking energy: -230.825 Base-Backbone interact. energy: -1.017 local terms energy: -287.140755 where: bonds (distance) C4'-P energy: -59.181 bonds (distance) P-C4' energy: -63.851 flat angles C4'-P-C4' energy: -65.765 flat angles P-C4'-P energy: -40.016 tors. eta vs tors. theta energy: -58.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -677.187690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.187690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.187690 (E_RNA) where: Base-Base interactions energy: -428.891 where: short stacking energy: -209.749 Base-Backbone interact. energy: -0.162 local terms energy: -248.134744 where: bonds (distance) C4'-P energy: -45.756 bonds (distance) P-C4' energy: -60.941 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -30.193 tors. eta vs tors. theta energy: -47.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -420.002576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.002576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.002576 (E_RNA) where: Base-Base interactions energy: -209.415 where: short stacking energy: -121.869 Base-Backbone interact. energy: -0.974 local terms energy: -209.613116 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -56.830 flat angles C4'-P-C4' energy: -58.666 flat angles P-C4'-P energy: -34.069 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -323.505134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.505134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.505134 (E_RNA) where: Base-Base interactions energy: -106.023 where: short stacking energy: -87.657 Base-Backbone interact. energy: -0.275 local terms energy: -217.207380 where: bonds (distance) C4'-P energy: -61.768 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -57.506 flat angles P-C4'-P energy: -28.155 tors. eta vs tors. theta energy: -10.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -334.510559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.510559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.510559 (E_RNA) where: Base-Base interactions energy: -145.485 where: short stacking energy: -88.856 Base-Backbone interact. energy: 1.409 local terms energy: -190.434788 where: bonds (distance) C4'-P energy: -46.638 bonds (distance) P-C4' energy: -61.900 flat angles C4'-P-C4' energy: -54.170 flat angles P-C4'-P energy: -28.959 tors. eta vs tors. theta energy: 1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1139.094083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.094083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.094083 (E_RNA) where: Base-Base interactions energy: -792.173 where: short stacking energy: -336.222 Base-Backbone interact. energy: -1.969 local terms energy: -344.952231 where: bonds (distance) C4'-P energy: -66.761 bonds (distance) P-C4' energy: -64.103 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -92.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1098.827375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.827375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.827375 (E_RNA) where: Base-Base interactions energy: -718.513 where: short stacking energy: -342.248 Base-Backbone interact. energy: -4.259 local terms energy: -376.055476 where: bonds (distance) C4'-P energy: -69.034 bonds (distance) P-C4' energy: -74.681 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: -107.479 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: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1039.434752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.434752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.434752 (E_RNA) where: Base-Base interactions energy: -684.229 where: short stacking energy: -325.551 Base-Backbone interact. energy: -0.258 local terms energy: -354.947926 where: bonds (distance) C4'-P energy: -59.251 bonds (distance) P-C4' energy: -72.593 flat angles C4'-P-C4' energy: -83.876 flat angles P-C4'-P energy: -49.800 tors. eta vs tors. theta energy: -89.428 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: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -972.716742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.716742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.716742 (E_RNA) where: Base-Base interactions energy: -643.980 where: short stacking energy: -281.502 Base-Backbone interact. energy: 1.288 local terms energy: -330.024975 where: bonds (distance) C4'-P energy: -60.933 bonds (distance) P-C4' energy: -59.873 flat angles C4'-P-C4' energy: -69.800 flat angles P-C4'-P energy: -52.968 tors. eta vs tors. theta energy: -86.451 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: 9 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -836.443358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.443358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.443358 (E_RNA) where: Base-Base interactions energy: -531.414 where: short stacking energy: -248.143 Base-Backbone interact. energy: -0.234 local terms energy: -304.795482 where: bonds (distance) C4'-P energy: -68.454 bonds (distance) P-C4' energy: -58.839 flat angles C4'-P-C4' energy: -62.812 flat angles P-C4'-P energy: -44.783 tors. eta vs tors. theta energy: -69.908 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: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -798.341332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.341332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.341332 (E_RNA) where: Base-Base interactions energy: -504.035 where: short stacking energy: -248.623 Base-Backbone interact. energy: -0.885 local terms energy: -293.421663 where: bonds (distance) C4'-P energy: -53.019 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -47.357 tors. eta vs tors. theta energy: -59.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -661.358229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.358229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.358229 (E_RNA) where: Base-Base interactions energy: -418.137 where: short stacking energy: -198.909 Base-Backbone interact. energy: -0.791 local terms energy: -242.430059 where: bonds (distance) C4'-P energy: -53.963 bonds (distance) P-C4' energy: -45.114 flat angles C4'-P-C4' energy: -52.627 flat angles P-C4'-P energy: -37.664 tors. eta vs tors. theta energy: -53.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -333.485471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.485471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.485471 (E_RNA) where: Base-Base interactions energy: -127.493 where: short stacking energy: -114.433 Base-Backbone interact. energy: 1.679 local terms energy: -207.671230 where: bonds (distance) C4'-P energy: -61.702 bonds (distance) P-C4' energy: -48.677 flat angles C4'-P-C4' energy: -47.579 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -407.836010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.836010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.836010 (E_RNA) where: Base-Base interactions energy: -189.971 where: short stacking energy: -111.523 Base-Backbone interact. energy: 0.213 local terms energy: -218.077822 where: bonds (distance) C4'-P energy: -53.192 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -64.100 flat angles P-C4'-P energy: -38.404 tors. eta vs tors. theta energy: -3.623 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: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -289.840065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.840065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.840065 (E_RNA) where: Base-Base interactions energy: -118.852 where: short stacking energy: -102.278 Base-Backbone interact. energy: 2.719 local terms energy: -173.706885 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -55.267 flat angles C4'-P-C4' energy: -53.270 flat angles P-C4'-P energy: -18.293 tors. eta vs tors. theta energy: 7.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1138.127173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.127173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.127173 (E_RNA) where: Base-Base interactions energy: -768.841 where: short stacking energy: -345.548 Base-Backbone interact. energy: -3.013 local terms energy: -366.274152 where: bonds (distance) C4'-P energy: -65.274 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -86.095 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -100.092 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: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1072.665205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.665205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.665205 (E_RNA) where: Base-Base interactions energy: -712.839 where: short stacking energy: -327.066 Base-Backbone interact. energy: -1.891 local terms energy: -357.934531 where: bonds (distance) C4'-P energy: -64.086 bonds (distance) P-C4' energy: -74.866 flat angles C4'-P-C4' energy: -77.839 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -92.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1024.766104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.766104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.766104 (E_RNA) where: Base-Base interactions energy: -703.019 where: short stacking energy: -320.149 Base-Backbone interact. energy: 0.087 local terms energy: -321.833889 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -62.322 flat angles C4'-P-C4' energy: -65.635 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -95.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -998.212873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.212873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.212873 (E_RNA) where: Base-Base interactions energy: -660.071 where: short stacking energy: -305.142 Base-Backbone interact. energy: -1.720 local terms energy: -336.421176 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -77.638 flat angles P-C4'-P energy: -46.395 tors. eta vs tors. theta energy: -92.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -890.386213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.386213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.386213 (E_RNA) where: Base-Base interactions energy: -573.766 where: short stacking energy: -263.378 Base-Backbone interact. energy: -0.440 local terms energy: -316.180273 where: bonds (distance) C4'-P energy: -63.754 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -59.268 flat angles P-C4'-P energy: -52.634 tors. eta vs tors. theta energy: -77.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -754.033616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.033616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.033616 (E_RNA) where: Base-Base interactions energy: -480.894 where: short stacking energy: -228.510 Base-Backbone interact. energy: 0.351 local terms energy: -273.489741 where: bonds (distance) C4'-P energy: -63.397 bonds (distance) P-C4' energy: -51.359 flat angles C4'-P-C4' energy: -66.212 flat angles P-C4'-P energy: -42.806 tors. eta vs tors. theta energy: -49.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -686.265431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.265431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.265431 (E_RNA) where: Base-Base interactions energy: -426.954 where: short stacking energy: -201.272 Base-Backbone interact. energy: -2.847 local terms energy: -256.464571 where: bonds (distance) C4'-P energy: -62.342 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -44.417 flat angles P-C4'-P energy: -38.233 tors. eta vs tors. theta energy: -49.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -333.045191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.045191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.045191 (E_RNA) where: Base-Base interactions energy: -137.709 where: short stacking energy: -100.460 Base-Backbone interact. energy: 1.717 local terms energy: -197.053616 where: bonds (distance) C4'-P energy: -51.441 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -54.280 flat angles P-C4'-P energy: -34.288 tors. eta vs tors. theta energy: 2.124 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -402.591490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.591490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.591490 (E_RNA) where: Base-Base interactions energy: -226.182 where: short stacking energy: -113.642 Base-Backbone interact. energy: 3.257 local terms energy: -179.666116 where: bonds (distance) C4'-P energy: -42.579 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -56.044 flat angles P-C4'-P energy: -27.066 tors. eta vs tors. theta energy: 9.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -291.670721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.670721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.670721 (E_RNA) where: Base-Base interactions energy: -115.704 where: short stacking energy: -89.094 Base-Backbone interact. energy: 2.433 local terms energy: -178.399096 where: bonds (distance) C4'-P energy: -55.340 bonds (distance) P-C4' energy: -52.969 flat angles C4'-P-C4' energy: -48.568 flat angles P-C4'-P energy: -27.506 tors. eta vs tors. theta energy: 5.984 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: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1137.573547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.573547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.573547 (E_RNA) where: Base-Base interactions energy: -784.210 where: short stacking energy: -340.750 Base-Backbone interact. energy: -3.679 local terms energy: -349.684810 where: bonds (distance) C4'-P energy: -65.857 bonds (distance) P-C4' energy: -60.842 flat angles C4'-P-C4' energy: -75.826 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -96.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1085.165810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.165810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.165810 (E_RNA) where: Base-Base interactions energy: -718.926 where: short stacking energy: -340.622 Base-Backbone interact. energy: 1.733 local terms energy: -367.972308 where: bonds (distance) C4'-P energy: -59.942 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -83.371 flat angles P-C4'-P energy: -46.721 tors. eta vs tors. theta energy: -103.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1039.800785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.800785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.800785 (E_RNA) where: Base-Base interactions energy: -702.026 where: short stacking energy: -321.627 Base-Backbone interact. energy: -3.073 local terms energy: -334.702131 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -72.222 flat angles C4'-P-C4' energy: -66.666 flat angles P-C4'-P energy: -49.350 tors. eta vs tors. theta energy: -90.985 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: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1032.199141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.199141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.199141 (E_RNA) where: Base-Base interactions energy: -676.952 where: short stacking energy: -295.906 Base-Backbone interact. energy: -0.979 local terms energy: -354.267487 where: bonds (distance) C4'-P energy: -68.661 bonds (distance) P-C4' energy: -71.420 flat angles C4'-P-C4' energy: -74.155 flat angles P-C4'-P energy: -49.466 tors. eta vs tors. theta energy: -90.565 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: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -878.210647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.210647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.210647 (E_RNA) where: Base-Base interactions energy: -592.975 where: short stacking energy: -265.054 Base-Backbone interact. energy: -0.265 local terms energy: -284.970545 where: bonds (distance) C4'-P energy: -61.977 bonds (distance) P-C4' energy: -54.171 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -61.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -745.534720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.534720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.534720 (E_RNA) where: Base-Base interactions energy: -455.552 where: short stacking energy: -235.634 Base-Backbone interact. energy: 1.499 local terms energy: -291.481227 where: bonds (distance) C4'-P energy: -57.083 bonds (distance) P-C4' energy: -64.439 flat angles C4'-P-C4' energy: -71.808 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: -54.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -705.108071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.108071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.108071 (E_RNA) where: Base-Base interactions energy: -447.202 where: short stacking energy: -217.590 Base-Backbone interact. energy: 1.078 local terms energy: -258.984129 where: bonds (distance) C4'-P energy: -60.763 bonds (distance) P-C4' energy: -59.884 flat angles C4'-P-C4' energy: -58.731 flat angles P-C4'-P energy: -39.191 tors. eta vs tors. theta energy: -40.415 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: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -476.192740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.192740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.192740 (E_RNA) where: Base-Base interactions energy: -241.230 where: short stacking energy: -151.628 Base-Backbone interact. energy: 0.816 local terms energy: -235.778893 where: bonds (distance) C4'-P energy: -66.132 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -53.966 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -18.124 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -338.591016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.591016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.591016 (E_RNA) where: Base-Base interactions energy: -126.381 where: short stacking energy: -98.867 Base-Backbone interact. energy: -0.626 local terms energy: -211.584855 where: bonds (distance) C4'-P energy: -56.925 bonds (distance) P-C4' energy: -57.284 flat angles C4'-P-C4' energy: -64.523 flat angles P-C4'-P energy: -27.804 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -273.054012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.054012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.054012 (E_RNA) where: Base-Base interactions energy: -87.799 where: short stacking energy: -70.461 Base-Backbone interact. energy: -1.028 local terms energy: -184.227278 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -54.115 flat angles C4'-P-C4' energy: -55.323 flat angles P-C4'-P energy: -32.137 tors. eta vs tors. theta energy: 12.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1137.151069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.151069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.151069 (E_RNA) where: Base-Base interactions energy: -776.143 where: short stacking energy: -321.904 Base-Backbone interact. energy: -1.108 local terms energy: -359.900005 where: bonds (distance) C4'-P energy: -71.179 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -83.157 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: -88.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1117.279300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.279300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.279300 (E_RNA) where: Base-Base interactions energy: -759.333 where: short stacking energy: -373.300 Base-Backbone interact. energy: -0.898 local terms energy: -357.048682 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -68.623 flat angles C4'-P-C4' energy: -78.189 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -99.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1027.296648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.296648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.296648 (E_RNA) where: Base-Base interactions energy: -688.401 where: short stacking energy: -295.714 Base-Backbone interact. energy: -0.978 local terms energy: -337.917631 where: bonds (distance) C4'-P energy: -55.465 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -78.617 flat angles P-C4'-P energy: -45.911 tors. eta vs tors. theta energy: -95.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1018.886598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.886598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.886598 (E_RNA) where: Base-Base interactions energy: -686.692 where: short stacking energy: -312.067 Base-Backbone interact. energy: 1.028 local terms energy: -333.222220 where: bonds (distance) C4'-P energy: -74.390 bonds (distance) P-C4' energy: -46.903 flat angles C4'-P-C4' energy: -67.264 flat angles P-C4'-P energy: -50.069 tors. eta vs tors. theta energy: -94.596 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: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -907.070695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.070695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.070695 (E_RNA) where: Base-Base interactions energy: -600.607 where: short stacking energy: -279.029 Base-Backbone interact. energy: 0.099 local terms energy: -306.562974 where: bonds (distance) C4'-P energy: -52.799 bonds (distance) P-C4' energy: -55.709 flat angles C4'-P-C4' energy: -69.629 flat angles P-C4'-P energy: -42.782 tors. eta vs tors. theta energy: -85.645 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: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -758.267474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.267474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.267474 (E_RNA) where: Base-Base interactions energy: -452.157 where: short stacking energy: -227.452 Base-Backbone interact. energy: -0.220 local terms energy: -305.890350 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -63.472 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -50.568 tors. eta vs tors. theta energy: -59.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -661.068844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.068844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.068844 (E_RNA) where: Base-Base interactions energy: -400.942 where: short stacking energy: -171.767 Base-Backbone interact. energy: 0.655 local terms energy: -260.782113 where: bonds (distance) C4'-P energy: -63.064 bonds (distance) P-C4' energy: -63.244 flat angles C4'-P-C4' energy: -50.759 flat angles P-C4'-P energy: -38.176 tors. eta vs tors. theta energy: -45.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -444.620356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.620356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.620356 (E_RNA) where: Base-Base interactions energy: -214.815 where: short stacking energy: -131.189 Base-Backbone interact. energy: 0.041 local terms energy: -229.846191 where: bonds (distance) C4'-P energy: -55.495 bonds (distance) P-C4' energy: -59.816 flat angles C4'-P-C4' energy: -51.103 flat angles P-C4'-P energy: -40.476 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: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -311.075831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.075831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.075831 (E_RNA) where: Base-Base interactions energy: -112.564 where: short stacking energy: -89.919 Base-Backbone interact. energy: -0.052 local terms energy: -198.459158 where: bonds (distance) C4'-P energy: -54.344 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -40.790 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -281.538249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.538249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.538249 (E_RNA) where: Base-Base interactions energy: -85.824 where: short stacking energy: -74.712 Base-Backbone interact. energy: -0.890 local terms energy: -194.823878 where: bonds (distance) C4'-P energy: -60.434 bonds (distance) P-C4' energy: -72.829 flat angles C4'-P-C4' energy: -44.917 flat angles P-C4'-P energy: -36.003 tors. eta vs tors. theta energy: 19.360 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: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1126.032404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.032404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.032404 (E_RNA) where: Base-Base interactions energy: -784.153 where: short stacking energy: -316.290 Base-Backbone interact. energy: -1.074 local terms energy: -340.805155 where: bonds (distance) C4'-P energy: -67.854 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -74.751 flat angles P-C4'-P energy: -42.811 tors. eta vs tors. theta energy: -88.068 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: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1077.560228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.560228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.560228 (E_RNA) where: Base-Base interactions energy: -704.073 where: short stacking energy: -339.354 Base-Backbone interact. energy: -0.893 local terms energy: -372.594048 where: bonds (distance) C4'-P energy: -69.629 bonds (distance) P-C4' energy: -72.455 flat angles C4'-P-C4' energy: -80.101 flat angles P-C4'-P energy: -51.016 tors. eta vs tors. theta energy: -99.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1031.792043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.792043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.792043 (E_RNA) where: Base-Base interactions energy: -688.696 where: short stacking energy: -301.209 Base-Backbone interact. energy: -2.064 local terms energy: -341.032174 where: bonds (distance) C4'-P energy: -63.558 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -76.349 flat angles P-C4'-P energy: -48.040 tors. eta vs tors. theta energy: -89.301 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: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1056.985010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.985010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.985010 (E_RNA) where: Base-Base interactions energy: -715.042 where: short stacking energy: -312.762 Base-Backbone interact. energy: -0.334 local terms energy: -341.608959 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -67.544 flat angles C4'-P-C4' energy: -73.205 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -93.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -904.881601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.881601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.881601 (E_RNA) where: Base-Base interactions energy: -604.335 where: short stacking energy: -256.598 Base-Backbone interact. energy: -1.461 local terms energy: -299.085251 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -60.809 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: -76.890 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: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -725.739185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.739185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.739185 (E_RNA) where: Base-Base interactions energy: -447.536 where: short stacking energy: -237.678 Base-Backbone interact. energy: -1.292 local terms energy: -276.911507 where: bonds (distance) C4'-P energy: -49.967 bonds (distance) P-C4' energy: -64.364 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -34.409 tors. eta vs tors. theta energy: -66.509 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: 181 Temperature: 1.200000 Total energy: -709.193953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.193953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.193953 (E_RNA) where: Base-Base interactions energy: -451.379 where: short stacking energy: -213.345 Base-Backbone interact. energy: -3.919 local terms energy: -253.895370 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -58.378 flat angles P-C4'-P energy: -30.868 tors. eta vs tors. theta energy: -48.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -445.145873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.145873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.145873 (E_RNA) where: Base-Base interactions energy: -237.653 where: short stacking energy: -123.802 Base-Backbone interact. energy: -2.419 local terms energy: -205.073858 where: bonds (distance) C4'-P energy: -53.780 bonds (distance) P-C4' energy: -57.100 flat angles C4'-P-C4' energy: -71.168 flat angles P-C4'-P energy: -19.982 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -319.987952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.987952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.987952 (E_RNA) where: Base-Base interactions energy: -110.141 where: short stacking energy: -80.348 Base-Backbone interact. energy: 0.440 local terms energy: -210.287304 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -62.698 flat angles C4'-P-C4' energy: -52.822 flat angles P-C4'-P energy: -26.444 tors. eta vs tors. theta energy: -7.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -294.646918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.646918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.646918 (E_RNA) where: Base-Base interactions energy: -131.231 where: short stacking energy: -117.391 Base-Backbone interact. energy: -0.026 local terms energy: -163.390833 where: bonds (distance) C4'-P energy: -41.159 bonds (distance) P-C4' energy: -38.925 flat angles C4'-P-C4' energy: -46.494 flat angles P-C4'-P energy: -36.458 tors. eta vs tors. theta energy: -0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1127.145187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.145187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.145187 (E_RNA) where: Base-Base interactions energy: -764.518 where: short stacking energy: -329.009 Base-Backbone interact. energy: 0.448 local terms energy: -363.074760 where: bonds (distance) C4'-P energy: -69.936 bonds (distance) P-C4' energy: -72.619 flat angles C4'-P-C4' energy: -82.326 flat angles P-C4'-P energy: -47.176 tors. eta vs tors. theta energy: -91.018 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: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1082.275754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.275754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.275754 (E_RNA) where: Base-Base interactions energy: -719.940 where: short stacking energy: -341.341 Base-Backbone interact. energy: -2.963 local terms energy: -359.372179 where: bonds (distance) C4'-P energy: -59.786 bonds (distance) P-C4' energy: -70.864 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: -102.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1062.368717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.368717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.368717 (E_RNA) where: Base-Base interactions energy: -712.527 where: short stacking energy: -327.202 Base-Backbone interact. energy: -0.292 local terms energy: -349.550044 where: bonds (distance) C4'-P energy: -57.782 bonds (distance) P-C4' energy: -70.951 flat angles C4'-P-C4' energy: -69.613 flat angles P-C4'-P energy: -50.626 tors. eta vs tors. theta energy: -100.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1010.755223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.755223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.755223 (E_RNA) where: Base-Base interactions energy: -676.097 where: short stacking energy: -294.868 Base-Backbone interact. energy: -0.164 local terms energy: -334.494395 where: bonds (distance) C4'-P energy: -59.017 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -67.316 flat angles P-C4'-P energy: -50.154 tors. eta vs tors. theta energy: -93.662 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: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -917.538198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.538198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.538198 (E_RNA) where: Base-Base interactions energy: -597.720 where: short stacking energy: -276.997 Base-Backbone interact. energy: -0.532 local terms energy: -319.286282 where: bonds (distance) C4'-P energy: -63.352 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -75.687 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: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -707.709541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.709541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.709541 (E_RNA) where: Base-Base interactions energy: -415.943 where: short stacking energy: -192.436 Base-Backbone interact. energy: -0.553 local terms energy: -291.213816 where: bonds (distance) C4'-P energy: -67.285 bonds (distance) P-C4' energy: -55.709 flat angles C4'-P-C4' energy: -64.200 flat angles P-C4'-P energy: -51.239 tors. eta vs tors. theta energy: -52.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -730.745053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.745053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.745053 (E_RNA) where: Base-Base interactions energy: -451.352 where: short stacking energy: -222.771 Base-Backbone interact. energy: -2.068 local terms energy: -277.325718 where: bonds (distance) C4'-P energy: -62.690 bonds (distance) P-C4' energy: -61.641 flat angles C4'-P-C4' energy: -51.195 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -55.152 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: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -427.282445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.282445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.282445 (E_RNA) where: Base-Base interactions energy: -209.933 where: short stacking energy: -142.542 Base-Backbone interact. energy: 2.053 local terms energy: -219.402109 where: bonds (distance) C4'-P energy: -49.299 bonds (distance) P-C4' energy: -70.303 flat angles C4'-P-C4' energy: -55.230 flat angles P-C4'-P energy: -26.157 tors. eta vs tors. theta energy: -18.413 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: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -294.214426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.214426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.214426 (E_RNA) where: Base-Base interactions energy: -106.856 where: short stacking energy: -94.540 Base-Backbone interact. energy: -1.643 local terms energy: -185.715827 where: bonds (distance) C4'-P energy: -50.293 bonds (distance) P-C4' energy: -52.441 flat angles C4'-P-C4' energy: -55.969 flat angles P-C4'-P energy: -41.309 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: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -289.561676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.561676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.561676 (E_RNA) where: Base-Base interactions energy: -124.344 where: short stacking energy: -93.093 Base-Backbone interact. energy: 1.719 local terms energy: -166.936254 where: bonds (distance) C4'-P energy: -47.736 bonds (distance) P-C4' energy: -62.072 flat angles C4'-P-C4' energy: -49.513 flat angles P-C4'-P energy: -19.722 tors. eta vs tors. theta energy: 12.107 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: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1118.586706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.586706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.586706 (E_RNA) where: Base-Base interactions energy: -757.092 where: short stacking energy: -341.902 Base-Backbone interact. energy: -0.219 local terms energy: -361.275956 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -72.718 flat angles C4'-P-C4' energy: -77.506 flat angles P-C4'-P energy: -53.066 tors. eta vs tors. theta energy: -93.464 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: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1101.201073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.201073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.201073 (E_RNA) where: Base-Base interactions energy: -746.864 where: short stacking energy: -350.370 Base-Backbone interact. energy: -1.326 local terms energy: -353.011471 where: bonds (distance) C4'-P energy: -62.747 bonds (distance) P-C4' energy: -64.986 flat angles C4'-P-C4' energy: -78.037 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -104.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1044.066867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.066867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.066867 (E_RNA) where: Base-Base interactions energy: -671.591 where: short stacking energy: -329.816 Base-Backbone interact. energy: -1.022 local terms energy: -371.454039 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -77.128 flat angles C4'-P-C4' energy: -85.634 flat angles P-C4'-P energy: -55.391 tors. eta vs tors. theta energy: -94.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1021.561679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.561679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.561679 (E_RNA) where: Base-Base interactions energy: -688.281 where: short stacking energy: -301.580 Base-Backbone interact. energy: 0.229 local terms energy: -333.509859 where: bonds (distance) C4'-P energy: -55.630 bonds (distance) P-C4' energy: -71.517 flat angles C4'-P-C4' energy: -62.965 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: -98.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -952.238198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.238198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.238198 (E_RNA) where: Base-Base interactions energy: -626.145 where: short stacking energy: -302.349 Base-Backbone interact. energy: -1.761 local terms energy: -324.332054 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -63.454 flat angles C4'-P-C4' energy: -69.720 flat angles P-C4'-P energy: -36.497 tors. eta vs tors. theta energy: -96.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -769.402726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.402726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.402726 (E_RNA) where: Base-Base interactions energy: -476.598 where: short stacking energy: -246.877 Base-Backbone interact. energy: -0.133 local terms energy: -292.672185 where: bonds (distance) C4'-P energy: -58.713 bonds (distance) P-C4' energy: -58.401 flat angles C4'-P-C4' energy: -66.058 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -65.524 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: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -651.567200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.567200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.567200 (E_RNA) where: Base-Base interactions energy: -394.511 where: short stacking energy: -194.637 Base-Backbone interact. energy: -1.431 local terms energy: -255.625115 where: bonds (distance) C4'-P energy: -58.302 bonds (distance) P-C4' energy: -63.188 flat angles C4'-P-C4' energy: -66.684 flat angles P-C4'-P energy: -37.629 tors. eta vs tors. theta energy: -29.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -426.231425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.231425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.231425 (E_RNA) where: Base-Base interactions energy: -207.996 where: short stacking energy: -150.338 Base-Backbone interact. energy: 0.510 local terms energy: -218.745481 where: bonds (distance) C4'-P energy: -53.493 bonds (distance) P-C4' energy: -56.457 flat angles C4'-P-C4' energy: -50.665 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: -21.938 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: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -322.382697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.382697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.382697 (E_RNA) where: Base-Base interactions energy: -114.819 where: short stacking energy: -106.060 Base-Backbone interact. energy: 0.553 local terms energy: -208.116514 where: bonds (distance) C4'-P energy: -59.292 bonds (distance) P-C4' energy: -52.465 flat angles C4'-P-C4' energy: -56.910 flat angles P-C4'-P energy: -37.152 tors. eta vs tors. theta energy: -2.299 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: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -300.991809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.991809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.991809 (E_RNA) where: Base-Base interactions energy: -132.281 where: short stacking energy: -93.037 Base-Backbone interact. energy: 1.248 local terms energy: -169.959071 where: bonds (distance) C4'-P energy: -57.308 bonds (distance) P-C4' energy: -43.177 flat angles C4'-P-C4' energy: -51.307 flat angles P-C4'-P energy: -29.042 tors. eta vs tors. theta energy: 10.874 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: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1141.104287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.104287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.104287 (E_RNA) where: Base-Base interactions energy: -776.133 where: short stacking energy: -349.222 Base-Backbone interact. energy: 1.294 local terms energy: -366.265375 where: bonds (distance) C4'-P energy: -60.789 bonds (distance) P-C4' energy: -66.687 flat angles C4'-P-C4' energy: -83.646 flat angles P-C4'-P energy: -52.046 tors. eta vs tors. theta energy: -103.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1089.900269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.900269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.900269 (E_RNA) where: Base-Base interactions energy: -731.759 where: short stacking energy: -327.147 Base-Backbone interact. energy: 0.468 local terms energy: -358.609474 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -75.261 flat angles C4'-P-C4' energy: -67.888 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: -94.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1056.121814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.121814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.121814 (E_RNA) where: Base-Base interactions energy: -707.597 where: short stacking energy: -343.046 Base-Backbone interact. energy: 0.325 local terms energy: -348.850241 where: bonds (distance) C4'-P energy: -62.949 bonds (distance) P-C4' energy: -64.473 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -101.024 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: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1004.203278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.203278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.203278 (E_RNA) where: Base-Base interactions energy: -657.696 where: short stacking energy: -289.702 Base-Backbone interact. energy: -1.777 local terms energy: -344.729822 where: bonds (distance) C4'-P energy: -68.923 bonds (distance) P-C4' energy: -69.752 flat angles C4'-P-C4' energy: -70.579 flat angles P-C4'-P energy: -40.896 tors. eta vs tors. theta energy: -94.580 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: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -926.380158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.380158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.380158 (E_RNA) where: Base-Base interactions energy: -619.526 where: short stacking energy: -285.023 Base-Backbone interact. energy: -0.401 local terms energy: -306.453678 where: bonds (distance) C4'-P energy: -60.948 bonds (distance) P-C4' energy: -59.844 flat angles C4'-P-C4' energy: -55.794 flat angles P-C4'-P energy: -49.129 tors. eta vs tors. theta energy: -80.739 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: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -752.076945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.076945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.076945 (E_RNA) where: Base-Base interactions energy: -469.649 where: short stacking energy: -221.116 Base-Backbone interact. energy: -2.302 local terms energy: -280.126020 where: bonds (distance) C4'-P energy: -49.996 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -68.342 flat angles P-C4'-P energy: -44.824 tors. eta vs tors. theta energy: -51.160 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: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -661.357091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.357091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.357091 (E_RNA) where: Base-Base interactions energy: -401.224 where: short stacking energy: -192.128 Base-Backbone interact. energy: -0.223 local terms energy: -259.909700 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -49.916 flat angles P-C4'-P energy: -47.064 tors. eta vs tors. theta energy: -34.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -437.614457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.614457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.614457 (E_RNA) where: Base-Base interactions energy: -200.473 where: short stacking energy: -133.426 Base-Backbone interact. energy: 0.379 local terms energy: -237.520190 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -29.659 tors. eta vs tors. theta energy: -23.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -291.627950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.627950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.627950 (E_RNA) where: Base-Base interactions energy: -87.287 where: short stacking energy: -78.783 Base-Backbone interact. energy: -0.535 local terms energy: -203.805811 where: bonds (distance) C4'-P energy: -58.189 bonds (distance) P-C4' energy: -65.764 flat angles C4'-P-C4' energy: -50.985 flat angles P-C4'-P energy: -28.627 tors. eta vs tors. theta energy: -0.241 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: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -279.724408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.724408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.724408 (E_RNA) where: Base-Base interactions energy: -110.432 where: short stacking energy: -70.724 Base-Backbone interact. energy: 0.167 local terms energy: -169.458909 where: bonds (distance) C4'-P energy: -53.810 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -49.596 flat angles P-C4'-P energy: -16.134 tors. eta vs tors. theta energy: 5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1147.402580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.402580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.402580 (E_RNA) where: Base-Base interactions energy: -777.956 where: short stacking energy: -340.303 Base-Backbone interact. energy: -0.543 local terms energy: -368.903531 where: bonds (distance) C4'-P energy: -70.813 bonds (distance) P-C4' energy: -66.651 flat angles C4'-P-C4' energy: -85.454 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -100.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1084.989209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.989209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.989209 (E_RNA) where: Base-Base interactions energy: -721.553 where: short stacking energy: -327.619 Base-Backbone interact. energy: -0.686 local terms energy: -362.750922 where: bonds (distance) C4'-P energy: -69.599 bonds (distance) P-C4' energy: -71.345 flat angles C4'-P-C4' energy: -69.447 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -100.118 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: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1019.654901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.654901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.654901 (E_RNA) where: Base-Base interactions energy: -671.055 where: short stacking energy: -308.054 Base-Backbone interact. energy: -1.420 local terms energy: -347.180054 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -63.666 flat angles C4'-P-C4' energy: -72.797 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -91.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1012.410365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.410365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.410365 (E_RNA) where: Base-Base interactions energy: -684.498 where: short stacking energy: -314.230 Base-Backbone interact. energy: -0.160 local terms energy: -327.751956 where: bonds (distance) C4'-P energy: -59.083 bonds (distance) P-C4' energy: -69.381 flat angles C4'-P-C4' energy: -69.010 flat angles P-C4'-P energy: -36.774 tors. eta vs tors. theta energy: -93.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -903.771045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.771045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.771045 (E_RNA) where: Base-Base interactions energy: -569.346 where: short stacking energy: -269.863 Base-Backbone interact. energy: -1.647 local terms energy: -332.778670 where: bonds (distance) C4'-P energy: -64.168 bonds (distance) P-C4' energy: -66.738 flat angles C4'-P-C4' energy: -71.512 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -85.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -750.488355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.488355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.488355 (E_RNA) where: Base-Base interactions energy: -481.715 where: short stacking energy: -238.855 Base-Backbone interact. energy: -0.879 local terms energy: -267.894630 where: bonds (distance) C4'-P energy: -56.679 bonds (distance) P-C4' energy: -60.571 flat angles C4'-P-C4' energy: -59.019 flat angles P-C4'-P energy: -35.043 tors. eta vs tors. theta energy: -56.582 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: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -665.066524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.066524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.066524 (E_RNA) where: Base-Base interactions energy: -399.919 where: short stacking energy: -185.404 Base-Backbone interact. energy: -0.434 local terms energy: -264.714372 where: bonds (distance) C4'-P energy: -60.839 bonds (distance) P-C4' energy: -65.044 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -27.722 tors. eta vs tors. theta energy: -41.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -400.613871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.613871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.613871 (E_RNA) where: Base-Base interactions energy: -179.318 where: short stacking energy: -121.772 Base-Backbone interact. energy: -1.209 local terms energy: -220.087117 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -49.064 flat angles P-C4'-P energy: -31.740 tors. eta vs tors. theta energy: -16.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -366.800777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.800777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.800777 (E_RNA) where: Base-Base interactions energy: -168.904 where: short stacking energy: -112.588 Base-Backbone interact. energy: 1.211 local terms energy: -199.107752 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -62.808 flat angles C4'-P-C4' energy: -50.891 flat angles P-C4'-P energy: -26.758 tors. eta vs tors. theta energy: -8.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -307.659975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.659975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.659975 (E_RNA) where: Base-Base interactions energy: -145.526 where: short stacking energy: -86.379 Base-Backbone interact. energy: 6.956 local terms energy: -169.089007 where: bonds (distance) C4'-P energy: -53.463 bonds (distance) P-C4' energy: -60.938 flat angles C4'-P-C4' energy: -36.184 flat angles P-C4'-P energy: -15.488 tors. eta vs tors. theta energy: -3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1146.155545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.155545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.155545 (E_RNA) where: Base-Base interactions energy: -790.355 where: short stacking energy: -328.316 Base-Backbone interact. energy: 5.071 local terms energy: -360.871477 where: bonds (distance) C4'-P energy: -63.549 bonds (distance) P-C4' energy: -72.142 flat angles C4'-P-C4' energy: -74.029 flat angles P-C4'-P energy: -53.425 tors. eta vs tors. theta energy: -97.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1067.721674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.721674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.721674 (E_RNA) where: Base-Base interactions energy: -720.870 where: short stacking energy: -326.294 Base-Backbone interact. energy: -0.875 local terms energy: -345.977379 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -53.672 tors. eta vs tors. theta energy: -96.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1026.985439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.985439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.985439 (E_RNA) where: Base-Base interactions energy: -675.388 where: short stacking energy: -321.565 Base-Backbone interact. energy: -0.797 local terms energy: -350.799889 where: bonds (distance) C4'-P energy: -64.743 bonds (distance) P-C4' energy: -65.285 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -97.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1007.308767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.308767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.308767 (E_RNA) where: Base-Base interactions energy: -681.107 where: short stacking energy: -306.598 Base-Backbone interact. energy: -1.587 local terms energy: -324.615287 where: bonds (distance) C4'-P energy: -53.265 bonds (distance) P-C4' energy: -66.738 flat angles C4'-P-C4' energy: -68.487 flat angles P-C4'-P energy: -46.620 tors. eta vs tors. theta energy: -89.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -921.056670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.056670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.056670 (E_RNA) where: Base-Base interactions energy: -607.133 where: short stacking energy: -282.818 Base-Backbone interact. energy: -0.550 local terms energy: -313.373328 where: bonds (distance) C4'-P energy: -66.752 bonds (distance) P-C4' energy: -56.201 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -44.249 tors. eta vs tors. theta energy: -80.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -749.600033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.600033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.600033 (E_RNA) where: Base-Base interactions energy: -477.620 where: short stacking energy: -232.297 Base-Backbone interact. energy: -0.312 local terms energy: -271.668328 where: bonds (distance) C4'-P energy: -56.727 bonds (distance) P-C4' energy: -57.879 flat angles C4'-P-C4' energy: -62.616 flat angles P-C4'-P energy: -33.392 tors. eta vs tors. theta energy: -61.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -629.153678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.153678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.153678 (E_RNA) where: Base-Base interactions energy: -376.707 where: short stacking energy: -163.981 Base-Backbone interact. energy: -0.965 local terms energy: -251.482188 where: bonds (distance) C4'-P energy: -60.552 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -62.600 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: -32.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -410.196445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.196445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.196445 (E_RNA) where: Base-Base interactions energy: -201.887 where: short stacking energy: -106.188 Base-Backbone interact. energy: -0.758 local terms energy: -207.551918 where: bonds (distance) C4'-P energy: -49.701 bonds (distance) P-C4' energy: -55.684 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -355.713412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.713412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.713412 (E_RNA) where: Base-Base interactions energy: -143.716 where: short stacking energy: -90.350 Base-Backbone interact. energy: 0.740 local terms energy: -212.737923 where: bonds (distance) C4'-P energy: -64.928 bonds (distance) P-C4' energy: -62.317 flat angles C4'-P-C4' energy: -57.126 flat angles P-C4'-P energy: -34.680 tors. eta vs tors. theta energy: 6.313 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: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -366.055517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.055517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.055517 (E_RNA) where: Base-Base interactions energy: -177.658 where: short stacking energy: -113.605 Base-Backbone interact. energy: -1.870 local terms energy: -186.527623 where: bonds (distance) C4'-P energy: -58.477 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -44.911 flat angles P-C4'-P energy: -21.415 tors. eta vs tors. theta energy: 9.113 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: 187 Temperature: 0.900000 Total energy: -1112.712334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.712334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.712334 (E_RNA) where: Base-Base interactions energy: -743.918 where: short stacking energy: -318.949 Base-Backbone interact. energy: -2.660 local terms energy: -366.134193 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -75.624 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -99.708 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: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1081.308281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.308281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.308281 (E_RNA) where: Base-Base interactions energy: -729.075 where: short stacking energy: -334.593 Base-Backbone interact. energy: 1.108 local terms energy: -353.341411 where: bonds (distance) C4'-P energy: -70.082 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -66.090 flat angles P-C4'-P energy: -51.771 tors. eta vs tors. theta energy: -99.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1009.352479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.352479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.352479 (E_RNA) where: Base-Base interactions energy: -662.079 where: short stacking energy: -309.262 Base-Backbone interact. energy: 0.387 local terms energy: -347.660938 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -75.073 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -94.690 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: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1005.219325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.219325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.219325 (E_RNA) where: Base-Base interactions energy: -678.586 where: short stacking energy: -306.416 Base-Backbone interact. energy: -2.276 local terms energy: -324.356856 where: bonds (distance) C4'-P energy: -63.947 bonds (distance) P-C4' energy: -54.655 flat angles C4'-P-C4' energy: -70.194 flat angles P-C4'-P energy: -44.666 tors. eta vs tors. theta energy: -90.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -875.926239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.926239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.926239 (E_RNA) where: Base-Base interactions energy: -556.391 where: short stacking energy: -276.866 Base-Backbone interact. energy: -0.626 local terms energy: -318.908900 where: bonds (distance) C4'-P energy: -66.847 bonds (distance) P-C4' energy: -60.943 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -73.142 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: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -791.301861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.301861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.301861 (E_RNA) where: Base-Base interactions energy: -506.333 where: short stacking energy: -236.156 Base-Backbone interact. energy: -0.662 local terms energy: -284.306952 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -61.119 flat angles C4'-P-C4' energy: -69.811 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -56.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -656.627043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.627043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.627043 (E_RNA) where: Base-Base interactions energy: -398.097 where: short stacking energy: -202.353 Base-Backbone interact. energy: -1.769 local terms energy: -256.761760 where: bonds (distance) C4'-P energy: -57.230 bonds (distance) P-C4' energy: -56.597 flat angles C4'-P-C4' energy: -51.487 flat angles P-C4'-P energy: -39.399 tors. eta vs tors. theta energy: -52.049 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: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -473.979136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.979136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.979136 (E_RNA) where: Base-Base interactions energy: -249.201 where: short stacking energy: -147.743 Base-Backbone interact. energy: 2.619 local terms energy: -227.396653 where: bonds (distance) C4'-P energy: -51.514 bonds (distance) P-C4' energy: -70.273 flat angles C4'-P-C4' energy: -51.749 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -12.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -320.929918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.929918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.929918 (E_RNA) where: Base-Base interactions energy: -123.839 where: short stacking energy: -93.284 Base-Backbone interact. energy: -1.200 local terms energy: -195.891312 where: bonds (distance) C4'-P energy: -52.812 bonds (distance) P-C4' energy: -59.331 flat angles C4'-P-C4' energy: -49.548 flat angles P-C4'-P energy: -37.725 tors. eta vs tors. theta energy: 3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -348.827735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.827735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.827735 (E_RNA) where: Base-Base interactions energy: -177.705 where: short stacking energy: -97.765 Base-Backbone interact. energy: -0.649 local terms energy: -170.474389 where: bonds (distance) C4'-P energy: -54.198 bonds (distance) P-C4' energy: -62.264 flat angles C4'-P-C4' energy: -40.987 flat angles P-C4'-P energy: -25.125 tors. eta vs tors. theta energy: 12.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1135.454164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.454164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.454164 (E_RNA) where: Base-Base interactions energy: -770.267 where: short stacking energy: -341.143 Base-Backbone interact. energy: -1.972 local terms energy: -363.214640 where: bonds (distance) C4'-P energy: -65.222 bonds (distance) P-C4' energy: -75.214 flat angles C4'-P-C4' energy: -74.786 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -98.765 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1059.993649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.993649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.993649 (E_RNA) where: Base-Base interactions energy: -709.838 where: short stacking energy: -339.802 Base-Backbone interact. energy: -0.987 local terms energy: -349.168830 where: bonds (distance) C4'-P energy: -63.439 bonds (distance) P-C4' energy: -69.499 flat angles C4'-P-C4' energy: -68.660 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -100.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1043.997927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.997927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.997927 (E_RNA) where: Base-Base interactions energy: -696.015 where: short stacking energy: -331.171 Base-Backbone interact. energy: -1.546 local terms energy: -346.437194 where: bonds (distance) C4'-P energy: -58.204 bonds (distance) P-C4' energy: -68.255 flat angles C4'-P-C4' energy: -74.985 flat angles P-C4'-P energy: -50.108 tors. eta vs tors. theta energy: -94.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -967.790059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.790059 (E_RNA) where: Base-Base interactions energy: -639.157 where: short stacking energy: -286.426 Base-Backbone interact. energy: -1.152 local terms energy: -327.480876 where: bonds (distance) C4'-P energy: -62.071 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -65.761 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -84.363 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: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -880.187575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.187575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.187575 (E_RNA) where: Base-Base interactions energy: -575.015 where: short stacking energy: -240.558 Base-Backbone interact. energy: -0.116 local terms energy: -305.056089 where: bonds (distance) C4'-P energy: -51.118 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -42.318 tors. eta vs tors. theta energy: -69.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -810.474781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.474781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.474781 (E_RNA) where: Base-Base interactions energy: -540.967 where: short stacking energy: -264.602 Base-Backbone interact. energy: -1.404 local terms energy: -268.103497 where: bonds (distance) C4'-P energy: -63.037 bonds (distance) P-C4' energy: -55.400 flat angles C4'-P-C4' energy: -64.121 flat angles P-C4'-P energy: -33.467 tors. eta vs tors. theta energy: -52.078 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: 188 Temperature: 1.200000 Total energy: -665.545733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.545733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.545733 (E_RNA) where: Base-Base interactions energy: -408.219 where: short stacking energy: -201.505 Base-Backbone interact. energy: -2.084 local terms energy: -255.242913 where: bonds (distance) C4'-P energy: -62.275 bonds (distance) P-C4' energy: -59.567 flat angles C4'-P-C4' energy: -56.090 flat angles P-C4'-P energy: -31.253 tors. eta vs tors. theta energy: -46.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -503.558277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.558277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.558277 (E_RNA) where: Base-Base interactions energy: -273.722 where: short stacking energy: -157.046 Base-Backbone interact. energy: -0.195 local terms energy: -229.641601 where: bonds (distance) C4'-P energy: -44.204 bonds (distance) P-C4' energy: -56.878 flat angles C4'-P-C4' energy: -65.693 flat angles P-C4'-P energy: -29.812 tors. eta vs tors. theta energy: -33.054 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: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -359.446230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.446230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.446230 (E_RNA) where: Base-Base interactions energy: -166.552 where: short stacking energy: -126.862 Base-Backbone interact. energy: -0.414 local terms energy: -192.479789 where: bonds (distance) C4'-P energy: -53.414 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -53.925 flat angles P-C4'-P energy: -18.920 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: 10, replica: 3 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -352.402319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.402319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.402319 (E_RNA) where: Base-Base interactions energy: -163.921 where: short stacking energy: -107.294 Base-Backbone interact. energy: 0.442 local terms energy: -188.923088 where: bonds (distance) C4'-P energy: -44.338 bonds (distance) P-C4' energy: -49.903 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -33.614 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1133.601989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.601989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.601989 (E_RNA) where: Base-Base interactions energy: -770.713 where: short stacking energy: -329.876 Base-Backbone interact. energy: -0.524 local terms energy: -362.364611 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -83.197 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -44.227 tors. eta vs tors. theta energy: -93.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1078.442900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.442900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.442900 (E_RNA) where: Base-Base interactions energy: -715.672 where: short stacking energy: -316.267 Base-Backbone interact. energy: -1.997 local terms energy: -360.773720 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -80.828 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -84.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1034.409047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.409047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.409047 (E_RNA) where: Base-Base interactions energy: -680.082 where: short stacking energy: -321.711 Base-Backbone interact. energy: -1.196 local terms energy: -353.131127 where: bonds (distance) C4'-P energy: -59.709 bonds (distance) P-C4' energy: -64.725 flat angles C4'-P-C4' energy: -77.524 flat angles P-C4'-P energy: -50.107 tors. eta vs tors. theta energy: -101.067 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: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -979.495601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.495601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.495601 (E_RNA) where: Base-Base interactions energy: -653.618 where: short stacking energy: -305.654 Base-Backbone interact. energy: -3.462 local terms energy: -322.415543 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -59.969 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -39.849 tors. eta vs tors. theta energy: -92.163 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: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -859.318050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.318050 (E_RNA) where: Base-Base interactions energy: -563.778 where: short stacking energy: -254.547 Base-Backbone interact. energy: -1.155 local terms energy: -294.385596 where: bonds (distance) C4'-P energy: -44.410 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -62.741 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -76.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -809.602445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.602445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.602445 (E_RNA) where: Base-Base interactions energy: -501.336 where: short stacking energy: -233.260 Base-Backbone interact. energy: -0.638 local terms energy: -307.628497 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -44.806 tors. eta vs tors. theta energy: -70.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -685.724588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.724588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.724588 (E_RNA) where: Base-Base interactions energy: -431.265 where: short stacking energy: -230.906 Base-Backbone interact. energy: 1.199 local terms energy: -255.658884 where: bonds (distance) C4'-P energy: -54.623 bonds (distance) P-C4' energy: -51.662 flat angles C4'-P-C4' energy: -59.074 flat angles P-C4'-P energy: -39.256 tors. eta vs tors. theta energy: -51.045 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: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -547.267574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.267574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.267574 (E_RNA) where: Base-Base interactions energy: -299.185 where: short stacking energy: -157.046 Base-Backbone interact. energy: -1.855 local terms energy: -246.227745 where: bonds (distance) C4'-P energy: -66.371 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -51.600 flat angles P-C4'-P energy: -34.058 tors. eta vs tors. theta energy: -33.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -334.949216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.949216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.949216 (E_RNA) where: Base-Base interactions energy: -155.737 where: short stacking energy: -98.196 Base-Backbone interact. energy: 2.119 local terms energy: -181.331519 where: bonds (distance) C4'-P energy: -47.515 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -53.055 flat angles P-C4'-P energy: -29.194 tors. eta vs tors. theta energy: 13.190 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: 3 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -312.271994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.271994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.271994 (E_RNA) where: Base-Base interactions energy: -135.013 where: short stacking energy: -103.873 Base-Backbone interact. energy: 3.694 local terms energy: -180.953678 where: bonds (distance) C4'-P energy: -48.933 bonds (distance) P-C4' energy: -51.148 flat angles C4'-P-C4' energy: -54.627 flat angles P-C4'-P energy: -20.349 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1136.745535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.745535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.745535 (E_RNA) where: Base-Base interactions energy: -775.109 where: short stacking energy: -326.092 Base-Backbone interact. energy: -1.343 local terms energy: -360.293149 where: bonds (distance) C4'-P energy: -67.927 bonds (distance) P-C4' energy: -75.274 flat angles C4'-P-C4' energy: -73.908 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -93.253 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: 190 Temperature: 0.950000 Total energy: -1071.408299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.408299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.408299 (E_RNA) where: Base-Base interactions energy: -728.345 where: short stacking energy: -333.283 Base-Backbone interact. energy: -1.415 local terms energy: -341.647629 where: bonds (distance) C4'-P energy: -70.240 bonds (distance) P-C4' energy: -72.035 flat angles C4'-P-C4' energy: -73.716 flat angles P-C4'-P energy: -42.456 tors. eta vs tors. theta energy: -83.201 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: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1055.976408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.976408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.976408 (E_RNA) where: Base-Base interactions energy: -696.401 where: short stacking energy: -310.204 Base-Backbone interact. energy: -0.654 local terms energy: -358.920727 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -72.131 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -47.891 tors. eta vs tors. theta energy: -97.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -976.537704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.537704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.537704 (E_RNA) where: Base-Base interactions energy: -638.125 where: short stacking energy: -291.978 Base-Backbone interact. energy: -0.248 local terms energy: -338.164345 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -73.342 flat angles C4'-P-C4' energy: -64.726 flat angles P-C4'-P energy: -46.243 tors. eta vs tors. theta energy: -93.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -791.984045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.984045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.984045 (E_RNA) where: Base-Base interactions energy: -496.462 where: short stacking energy: -244.303 Base-Backbone interact. energy: -0.702 local terms energy: -294.819896 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -69.306 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -55.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -847.820314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.820314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.820314 (E_RNA) where: Base-Base interactions energy: -551.841 where: short stacking energy: -248.613 Base-Backbone interact. energy: -1.583 local terms energy: -294.396616 where: bonds (distance) C4'-P energy: -55.190 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -68.924 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -71.624 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: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -661.785230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.785230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.785230 (E_RNA) where: Base-Base interactions energy: -390.611 where: short stacking energy: -185.860 Base-Backbone interact. energy: -1.622 local terms energy: -269.552167 where: bonds (distance) C4'-P energy: -58.507 bonds (distance) P-C4' energy: -73.309 flat angles C4'-P-C4' energy: -53.222 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -40.407 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: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -515.788611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.788611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.788611 (E_RNA) where: Base-Base interactions energy: -286.870 where: short stacking energy: -132.246 Base-Backbone interact. energy: -1.306 local terms energy: -227.612658 where: bonds (distance) C4'-P energy: -63.221 bonds (distance) P-C4' energy: -56.086 flat angles C4'-P-C4' energy: -65.019 flat angles P-C4'-P energy: -28.229 tors. eta vs tors. theta energy: -15.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -369.354754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.354754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.354754 (E_RNA) where: Base-Base interactions energy: -182.352 where: short stacking energy: -126.557 Base-Backbone interact. energy: 1.800 local terms energy: -188.802854 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -48.294 flat angles C4'-P-C4' energy: -53.827 flat angles P-C4'-P energy: -21.313 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: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -341.217424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.217424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.217424 (E_RNA) where: Base-Base interactions energy: -131.298 where: short stacking energy: -89.552 Base-Backbone interact. energy: -0.340 local terms energy: -209.579640 where: bonds (distance) C4'-P energy: -52.276 bonds (distance) P-C4' energy: -54.987 flat angles C4'-P-C4' energy: -67.979 flat angles P-C4'-P energy: -24.349 tors. eta vs tors. theta energy: -9.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1133.732135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.732135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.732135 (E_RNA) where: Base-Base interactions energy: -773.647 where: short stacking energy: -311.383 Base-Backbone interact. energy: -0.323 local terms energy: -359.761714 where: bonds (distance) C4'-P energy: -73.745 bonds (distance) P-C4' energy: -77.680 flat angles C4'-P-C4' energy: -73.787 flat angles P-C4'-P energy: -51.060 tors. eta vs tors. theta energy: -83.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1094.570821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.570821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.570821 (E_RNA) where: Base-Base interactions energy: -723.235 where: short stacking energy: -348.102 Base-Backbone interact. energy: -0.155 local terms energy: -371.181063 where: bonds (distance) C4'-P energy: -64.535 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -77.228 flat angles P-C4'-P energy: -50.913 tors. eta vs tors. theta energy: -104.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1059.647915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.647915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.647915 (E_RNA) where: Base-Base interactions energy: -720.762 where: short stacking energy: -298.921 Base-Backbone interact. energy: -1.790 local terms energy: -337.096317 where: bonds (distance) C4'-P energy: -64.059 bonds (distance) P-C4' energy: -72.587 flat angles C4'-P-C4' energy: -70.021 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -81.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -994.022864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.022864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.022864 (E_RNA) where: Base-Base interactions energy: -655.467 where: short stacking energy: -307.752 Base-Backbone interact. energy: -1.741 local terms energy: -336.815717 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -72.164 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -86.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -785.356590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.356590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.356590 (E_RNA) where: Base-Base interactions energy: -501.232 where: short stacking energy: -245.113 Base-Backbone interact. energy: -0.436 local terms energy: -283.688852 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -59.608 flat angles C4'-P-C4' energy: -60.473 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -61.066 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: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -844.038040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.038040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.038040 (E_RNA) where: Base-Base interactions energy: -545.983 where: short stacking energy: -244.425 Base-Backbone interact. energy: -3.372 local terms energy: -294.683659 where: bonds (distance) C4'-P energy: -66.813 bonds (distance) P-C4' energy: -63.916 flat angles C4'-P-C4' energy: -57.232 flat angles P-C4'-P energy: -36.892 tors. eta vs tors. theta energy: -69.832 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: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -702.573021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.573021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.573021 (E_RNA) where: Base-Base interactions energy: -440.416 where: short stacking energy: -223.725 Base-Backbone interact. energy: -0.933 local terms energy: -261.223107 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -34.276 tors. eta vs tors. theta energy: -51.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -515.438060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.438060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.438060 (E_RNA) where: Base-Base interactions energy: -280.905 where: short stacking energy: -131.896 Base-Backbone interact. energy: -1.197 local terms energy: -233.336889 where: bonds (distance) C4'-P energy: -56.699 bonds (distance) P-C4' energy: -59.840 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -42.093 tors. eta vs tors. theta energy: -11.651 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: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -383.737311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.737311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.737311 (E_RNA) where: Base-Base interactions energy: -170.675 where: short stacking energy: -104.635 Base-Backbone interact. energy: 0.063 local terms energy: -213.125082 where: bonds (distance) C4'-P energy: -65.696 bonds (distance) P-C4' energy: -61.194 flat angles C4'-P-C4' energy: -48.506 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: 0.342 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: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -337.120726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.120726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.120726 (E_RNA) where: Base-Base interactions energy: -162.563 where: short stacking energy: -97.466 Base-Backbone interact. energy: -1.547 local terms energy: -173.011458 where: bonds (distance) C4'-P energy: -40.456 bonds (distance) P-C4' energy: -65.967 flat angles C4'-P-C4' energy: -49.485 flat angles P-C4'-P energy: -22.022 tors. eta vs tors. theta energy: 4.919 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: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1137.002830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.002830 (E_RNA) where: Base-Base interactions energy: -784.127 where: short stacking energy: -316.166 Base-Backbone interact. energy: -3.145 local terms energy: -349.730425 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -78.530 flat angles C4'-P-C4' energy: -72.267 flat angles P-C4'-P energy: -52.511 tors. eta vs tors. theta energy: -83.125 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: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1092.207679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.207679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.207679 (E_RNA) where: Base-Base interactions energy: -730.889 where: short stacking energy: -347.564 Base-Backbone interact. energy: -3.522 local terms energy: -357.796231 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -69.174 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -36.360 tors. eta vs tors. theta energy: -100.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1020.907885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.907885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.907885 (E_RNA) where: Base-Base interactions energy: -689.564 where: short stacking energy: -312.667 Base-Backbone interact. energy: 0.537 local terms energy: -331.881628 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -51.478 tors. eta vs tors. theta energy: -92.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1024.542649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.542649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.542649 (E_RNA) where: Base-Base interactions energy: -697.997 where: short stacking energy: -309.895 Base-Backbone interact. energy: -1.119 local terms energy: -325.427035 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -60.423 flat angles C4'-P-C4' energy: -68.651 flat angles P-C4'-P energy: -44.829 tors. eta vs tors. theta energy: -88.573 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: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -826.775808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.775808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.775808 (E_RNA) where: Base-Base interactions energy: -522.491 where: short stacking energy: -256.221 Base-Backbone interact. energy: -1.235 local terms energy: -303.049818 where: bonds (distance) C4'-P energy: -67.413 bonds (distance) P-C4' energy: -71.796 flat angles C4'-P-C4' energy: -68.171 flat angles P-C4'-P energy: -37.406 tors. eta vs tors. theta energy: -58.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -728.295692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.295692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.295692 (E_RNA) where: Base-Base interactions energy: -456.603 where: short stacking energy: -241.830 Base-Backbone interact. energy: -0.847 local terms energy: -270.845577 where: bonds (distance) C4'-P energy: -52.679 bonds (distance) P-C4' energy: -64.733 flat angles C4'-P-C4' energy: -66.601 flat angles P-C4'-P energy: -25.869 tors. eta vs tors. theta energy: -60.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -721.540975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.540975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.540975 (E_RNA) where: Base-Base interactions energy: -420.385 where: short stacking energy: -213.395 Base-Backbone interact. energy: -0.805 local terms energy: -300.350708 where: bonds (distance) C4'-P energy: -63.668 bonds (distance) P-C4' energy: -73.919 flat angles C4'-P-C4' energy: -70.894 flat angles P-C4'-P energy: -30.922 tors. eta vs tors. theta energy: -60.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -543.134131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.134131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.134131 (E_RNA) where: Base-Base interactions energy: -312.848 where: short stacking energy: -158.601 Base-Backbone interact. energy: 2.800 local terms energy: -233.086526 where: bonds (distance) C4'-P energy: -59.588 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -50.820 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -22.557 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: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -304.638039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.638039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.638039 (E_RNA) where: Base-Base interactions energy: -121.391 where: short stacking energy: -94.616 Base-Backbone interact. energy: -0.143 local terms energy: -183.104246 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -58.372 flat angles C4'-P-C4' energy: -28.002 flat angles P-C4'-P energy: -21.462 tors. eta vs tors. theta energy: -12.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -331.429428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.429428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.429428 (E_RNA) where: Base-Base interactions energy: -170.726 where: short stacking energy: -98.650 Base-Backbone interact. energy: 0.185 local terms energy: -160.888582 where: bonds (distance) C4'-P energy: -52.094 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -44.239 flat angles P-C4'-P energy: -16.311 tors. eta vs tors. theta energy: 13.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1158.495952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.495952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.495952 (E_RNA) where: Base-Base interactions energy: -787.451 where: short stacking energy: -333.324 Base-Backbone interact. energy: -4.684 local terms energy: -366.360763 where: bonds (distance) C4'-P energy: -63.885 bonds (distance) P-C4' energy: -73.862 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -49.773 tors. eta vs tors. theta energy: -96.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1094.162718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.162718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.162718 (E_RNA) where: Base-Base interactions energy: -747.369 where: short stacking energy: -346.498 Base-Backbone interact. energy: -0.060 local terms energy: -346.733519 where: bonds (distance) C4'-P energy: -63.468 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -74.689 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -97.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1020.040667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.040667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.040667 (E_RNA) where: Base-Base interactions energy: -671.113 where: short stacking energy: -318.119 Base-Backbone interact. energy: -1.450 local terms energy: -347.478210 where: bonds (distance) C4'-P energy: -53.576 bonds (distance) P-C4' energy: -73.931 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -42.164 tors. eta vs tors. theta energy: -99.319 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: 193 Temperature: 1.050000 Total energy: -1013.637317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.637317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.637317 (E_RNA) where: Base-Base interactions energy: -682.430 where: short stacking energy: -296.543 Base-Backbone interact. energy: -1.017 local terms energy: -330.189999 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -62.251 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -87.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -837.870243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.870243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.870243 (E_RNA) where: Base-Base interactions energy: -528.453 where: short stacking energy: -254.227 Base-Backbone interact. energy: -1.164 local terms energy: -308.253242 where: bonds (distance) C4'-P energy: -59.014 bonds (distance) P-C4' energy: -67.772 flat angles C4'-P-C4' energy: -68.661 flat angles P-C4'-P energy: -48.681 tors. eta vs tors. theta energy: -64.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -752.945217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.945217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.945217 (E_RNA) where: Base-Base interactions energy: -468.717 where: short stacking energy: -235.394 Base-Backbone interact. energy: -1.983 local terms energy: -282.245631 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -67.064 flat angles C4'-P-C4' energy: -63.892 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -51.135 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: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -690.602357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.602357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.602357 (E_RNA) where: Base-Base interactions energy: -425.949 where: short stacking energy: -210.350 Base-Backbone interact. energy: 0.261 local terms energy: -264.914810 where: bonds (distance) C4'-P energy: -61.267 bonds (distance) P-C4' energy: -61.657 flat angles C4'-P-C4' energy: -53.113 flat angles P-C4'-P energy: -42.420 tors. eta vs tors. theta energy: -46.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -516.157599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.157599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.157599 (E_RNA) where: Base-Base interactions energy: -277.852 where: short stacking energy: -147.411 Base-Backbone interact. energy: -0.554 local terms energy: -237.751867 where: bonds (distance) C4'-P energy: -53.789 bonds (distance) P-C4' energy: -69.369 flat angles C4'-P-C4' energy: -54.952 flat angles P-C4'-P energy: -28.856 tors. eta vs tors. theta energy: -30.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -313.601774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.601774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.601774 (E_RNA) where: Base-Base interactions energy: -135.556 where: short stacking energy: -111.334 Base-Backbone interact. energy: -0.629 local terms energy: -177.416455 where: bonds (distance) C4'-P energy: -48.670 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -45.556 flat angles P-C4'-P energy: -25.048 tors. eta vs tors. theta energy: 5.518 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: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -285.596912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.596912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.596912 (E_RNA) where: Base-Base interactions energy: -101.494 where: short stacking energy: -72.547 Base-Backbone interact. energy: 0.826 local terms energy: -184.928358 where: bonds (distance) C4'-P energy: -59.492 bonds (distance) P-C4' energy: -67.442 flat angles C4'-P-C4' energy: -37.074 flat angles P-C4'-P energy: -40.945 tors. eta vs tors. theta energy: 20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1159.410085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.410085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.410085 (E_RNA) where: Base-Base interactions energy: -802.940 where: short stacking energy: -340.983 Base-Backbone interact. energy: -2.720 local terms energy: -353.750161 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -64.803 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -92.820 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: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1071.903973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.903973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.903973 (E_RNA) where: Base-Base interactions energy: -714.084 where: short stacking energy: -313.059 Base-Backbone interact. energy: -4.746 local terms energy: -353.074137 where: bonds (distance) C4'-P energy: -62.116 bonds (distance) P-C4' energy: -63.312 flat angles C4'-P-C4' energy: -82.071 flat angles P-C4'-P energy: -52.577 tors. eta vs tors. theta energy: -92.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1038.399589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.399589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.399589 (E_RNA) where: Base-Base interactions energy: -695.533 where: short stacking energy: -322.737 Base-Backbone interact. energy: -2.171 local terms energy: -340.696165 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -73.145 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -100.729 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -983.122926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.122926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.122926 (E_RNA) where: Base-Base interactions energy: -632.180 where: short stacking energy: -303.218 Base-Backbone interact. energy: -0.640 local terms energy: -350.302625 where: bonds (distance) C4'-P energy: -66.112 bonds (distance) P-C4' energy: -70.067 flat angles C4'-P-C4' energy: -76.612 flat angles P-C4'-P energy: -40.166 tors. eta vs tors. theta energy: -97.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -841.823458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.823458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.823458 (E_RNA) where: Base-Base interactions energy: -531.666 where: short stacking energy: -251.575 Base-Backbone interact. energy: -1.313 local terms energy: -308.844769 where: bonds (distance) C4'-P energy: -72.128 bonds (distance) P-C4' energy: -59.804 flat angles C4'-P-C4' energy: -65.051 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -65.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -720.437988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.437988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.437988 (E_RNA) where: Base-Base interactions energy: -434.785 where: short stacking energy: -211.570 Base-Backbone interact. energy: 0.524 local terms energy: -286.176370 where: bonds (distance) C4'-P energy: -65.531 bonds (distance) P-C4' energy: -51.799 flat angles C4'-P-C4' energy: -67.479 flat angles P-C4'-P energy: -41.518 tors. eta vs tors. theta energy: -59.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -655.922674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.922674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.922674 (E_RNA) where: Base-Base interactions energy: -375.241 where: short stacking energy: -184.750 Base-Backbone interact. energy: 0.895 local terms energy: -281.576680 where: bonds (distance) C4'-P energy: -60.632 bonds (distance) P-C4' energy: -74.404 flat angles C4'-P-C4' energy: -57.922 flat angles P-C4'-P energy: -42.951 tors. eta vs tors. theta energy: -45.667 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -503.276188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.276188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.276188 (E_RNA) where: Base-Base interactions energy: -265.122 where: short stacking energy: -149.808 Base-Backbone interact. energy: 0.338 local terms energy: -238.492127 where: bonds (distance) C4'-P energy: -59.063 bonds (distance) P-C4' energy: -67.546 flat angles C4'-P-C4' energy: -60.666 flat angles P-C4'-P energy: -30.814 tors. eta vs tors. theta energy: -20.402 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: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -309.221127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.221127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.221127 (E_RNA) where: Base-Base interactions energy: -99.985 where: short stacking energy: -70.487 Base-Backbone interact. energy: -0.804 local terms energy: -208.431325 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -68.850 flat angles C4'-P-C4' energy: -50.179 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: 8.662 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: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -285.197905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.197905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.197905 (E_RNA) where: Base-Base interactions energy: -99.597 where: short stacking energy: -79.504 Base-Backbone interact. energy: -0.429 local terms energy: -185.172028 where: bonds (distance) C4'-P energy: -51.289 bonds (distance) P-C4' energy: -57.577 flat angles C4'-P-C4' energy: -40.565 flat angles P-C4'-P energy: -39.513 tors. eta vs tors. theta energy: 3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1163.787155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.787155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.787155 (E_RNA) where: Base-Base interactions energy: -808.039 where: short stacking energy: -343.286 Base-Backbone interact. energy: -2.371 local terms energy: -353.377262 where: bonds (distance) C4'-P energy: -63.827 bonds (distance) P-C4' energy: -67.534 flat angles C4'-P-C4' energy: -69.649 flat angles P-C4'-P energy: -52.377 tors. eta vs tors. theta energy: -99.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1064.527103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.527103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.527103 (E_RNA) where: Base-Base interactions energy: -714.795 where: short stacking energy: -337.071 Base-Backbone interact. energy: -3.789 local terms energy: -345.942922 where: bonds (distance) C4'-P energy: -69.229 bonds (distance) P-C4' energy: -67.823 flat angles C4'-P-C4' energy: -69.070 flat angles P-C4'-P energy: -42.823 tors. eta vs tors. theta energy: -96.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1039.219823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.219823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.219823 (E_RNA) where: Base-Base interactions energy: -691.430 where: short stacking energy: -289.875 Base-Backbone interact. energy: -1.834 local terms energy: -345.955769 where: bonds (distance) C4'-P energy: -74.121 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -82.084 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: -82.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -957.515858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.515858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.515858 (E_RNA) where: Base-Base interactions energy: -638.631 where: short stacking energy: -312.989 Base-Backbone interact. energy: -0.275 local terms energy: -318.610050 where: bonds (distance) C4'-P energy: -49.702 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -41.712 tors. eta vs tors. theta energy: -104.666 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: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -816.172850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.172850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.172850 (E_RNA) where: Base-Base interactions energy: -505.708 where: short stacking energy: -245.624 Base-Backbone interact. energy: -0.279 local terms energy: -310.185492 where: bonds (distance) C4'-P energy: -74.086 bonds (distance) P-C4' energy: -62.676 flat angles C4'-P-C4' energy: -74.105 flat angles P-C4'-P energy: -35.076 tors. eta vs tors. theta energy: -64.243 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -713.413089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.413089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.413089 (E_RNA) where: Base-Base interactions energy: -432.027 where: short stacking energy: -229.492 Base-Backbone interact. energy: 0.999 local terms energy: -282.385056 where: bonds (distance) C4'-P energy: -53.543 bonds (distance) P-C4' energy: -67.573 flat angles C4'-P-C4' energy: -64.941 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -49.468 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: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -654.394755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.394755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.394755 (E_RNA) where: Base-Base interactions energy: -409.664 where: short stacking energy: -177.948 Base-Backbone interact. energy: -1.101 local terms energy: -243.629470 where: bonds (distance) C4'-P energy: -57.046 bonds (distance) P-C4' energy: -62.947 flat angles C4'-P-C4' energy: -56.231 flat angles P-C4'-P energy: -34.805 tors. eta vs tors. theta energy: -32.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -517.570465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.570465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.570465 (E_RNA) where: Base-Base interactions energy: -294.843 where: short stacking energy: -148.867 Base-Backbone interact. energy: -0.639 local terms energy: -222.088470 where: bonds (distance) C4'-P energy: -50.704 bonds (distance) P-C4' energy: -62.344 flat angles C4'-P-C4' energy: -55.138 flat angles P-C4'-P energy: -30.930 tors. eta vs tors. theta energy: -22.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -332.945762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.945762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.945762 (E_RNA) where: Base-Base interactions energy: -144.845 where: short stacking energy: -104.078 Base-Backbone interact. energy: 2.496 local terms energy: -190.597379 where: bonds (distance) C4'-P energy: -59.393 bonds (distance) P-C4' energy: -55.185 flat angles C4'-P-C4' energy: -41.622 flat angles P-C4'-P energy: -29.485 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -319.114930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.114930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.114930 (E_RNA) where: Base-Base interactions energy: -133.980 where: short stacking energy: -104.782 Base-Backbone interact. energy: 1.195 local terms energy: -186.330045 where: bonds (distance) C4'-P energy: -50.602 bonds (distance) P-C4' energy: -49.143 flat angles C4'-P-C4' energy: -62.466 flat angles P-C4'-P energy: -27.608 tors. eta vs tors. theta energy: 3.488 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: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1145.488645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.488645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.488645 (E_RNA) where: Base-Base interactions energy: -783.289 where: short stacking energy: -338.985 Base-Backbone interact. energy: -3.555 local terms energy: -358.644004 where: bonds (distance) C4'-P energy: -70.036 bonds (distance) P-C4' energy: -70.416 flat angles C4'-P-C4' energy: -78.876 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -93.694 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: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1070.851212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.851212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.851212 (E_RNA) where: Base-Base interactions energy: -684.843 where: short stacking energy: -337.060 Base-Backbone interact. energy: -1.632 local terms energy: -384.375661 where: bonds (distance) C4'-P energy: -63.829 bonds (distance) P-C4' energy: -78.527 flat angles C4'-P-C4' energy: -76.875 flat angles P-C4'-P energy: -55.829 tors. eta vs tors. theta energy: -109.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1049.011551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.011551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.011551 (E_RNA) where: Base-Base interactions energy: -688.532 where: short stacking energy: -308.672 Base-Backbone interact. energy: -0.811 local terms energy: -359.669121 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -78.065 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -90.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -958.181119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.181119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.181119 (E_RNA) where: Base-Base interactions energy: -639.151 where: short stacking energy: -301.904 Base-Backbone interact. energy: -2.114 local terms energy: -316.916611 where: bonds (distance) C4'-P energy: -64.513 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -70.475 flat angles P-C4'-P energy: -40.824 tors. eta vs tors. theta energy: -81.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -835.957306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.957306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.957306 (E_RNA) where: Base-Base interactions energy: -522.431 where: short stacking energy: -267.128 Base-Backbone interact. energy: -1.596 local terms energy: -311.930439 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -64.446 flat angles C4'-P-C4' energy: -68.882 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -76.050 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: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -724.277779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.277779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.277779 (E_RNA) where: Base-Base interactions energy: -446.363 where: short stacking energy: -231.896 Base-Backbone interact. energy: -0.692 local terms energy: -277.222722 where: bonds (distance) C4'-P energy: -56.685 bonds (distance) P-C4' energy: -61.721 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: -56.473 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: 196 Temperature: 1.200000 Total energy: -581.409949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.409949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.409949 (E_RNA) where: Base-Base interactions energy: -351.308 where: short stacking energy: -165.889 Base-Backbone interact. energy: 2.483 local terms energy: -232.584601 where: bonds (distance) C4'-P energy: -54.691 bonds (distance) P-C4' energy: -51.569 flat angles C4'-P-C4' energy: -62.645 flat angles P-C4'-P energy: -34.590 tors. eta vs tors. theta energy: -29.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -517.945122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.945122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.945122 (E_RNA) where: Base-Base interactions energy: -281.283 where: short stacking energy: -142.283 Base-Backbone interact. energy: 0.103 local terms energy: -236.765965 where: bonds (distance) C4'-P energy: -72.237 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -44.065 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -357.603239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.603239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.603239 (E_RNA) where: Base-Base interactions energy: -151.272 where: short stacking energy: -103.739 Base-Backbone interact. energy: -2.604 local terms energy: -203.727569 where: bonds (distance) C4'-P energy: -50.134 bonds (distance) P-C4' energy: -63.812 flat angles C4'-P-C4' energy: -60.439 flat angles P-C4'-P energy: -34.410 tors. eta vs tors. theta energy: 5.067 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: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -331.393199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.393199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.393199 (E_RNA) where: Base-Base interactions energy: -130.911 where: short stacking energy: -85.453 Base-Backbone interact. energy: 0.051 local terms energy: -200.533160 where: bonds (distance) C4'-P energy: -63.176 bonds (distance) P-C4' energy: -62.150 flat angles C4'-P-C4' energy: -48.420 flat angles P-C4'-P energy: -35.265 tors. eta vs tors. theta energy: 8.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1139.967502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.967502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.967502 (E_RNA) where: Base-Base interactions energy: -778.550 where: short stacking energy: -333.539 Base-Backbone interact. energy: -1.511 local terms energy: -359.906212 where: bonds (distance) C4'-P energy: -74.699 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -87.030 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: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1073.489345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.489345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.489345 (E_RNA) where: Base-Base interactions energy: -691.440 where: short stacking energy: -309.433 Base-Backbone interact. energy: -1.992 local terms energy: -380.057122 where: bonds (distance) C4'-P energy: -68.990 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -83.509 flat angles P-C4'-P energy: -56.668 tors. eta vs tors. theta energy: -104.109 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: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1041.374344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.374344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.374344 (E_RNA) where: Base-Base interactions energy: -693.195 where: short stacking energy: -311.536 Base-Backbone interact. energy: -1.611 local terms energy: -346.567882 where: bonds (distance) C4'-P energy: -59.122 bonds (distance) P-C4' energy: -72.463 flat angles C4'-P-C4' energy: -75.472 flat angles P-C4'-P energy: -52.816 tors. eta vs tors. theta energy: -86.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -943.594178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.594178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.594178 (E_RNA) where: Base-Base interactions energy: -620.170 where: short stacking energy: -289.283 Base-Backbone interact. energy: -2.826 local terms energy: -320.597918 where: bonds (distance) C4'-P energy: -58.387 bonds (distance) P-C4' energy: -59.689 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -86.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -809.993005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.993005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.993005 (E_RNA) where: Base-Base interactions energy: -488.999 where: short stacking energy: -217.294 Base-Backbone interact. energy: -0.346 local terms energy: -320.648444 where: bonds (distance) C4'-P energy: -67.721 bonds (distance) P-C4' energy: -67.483 flat angles C4'-P-C4' energy: -76.791 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -64.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -728.649678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.649678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.649678 (E_RNA) where: Base-Base interactions energy: -441.094 where: short stacking energy: -232.219 Base-Backbone interact. energy: 2.217 local terms energy: -289.771999 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -67.333 flat angles P-C4'-P energy: -33.078 tors. eta vs tors. theta energy: -64.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -624.305007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.305007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.305007 (E_RNA) where: Base-Base interactions energy: -366.361 where: short stacking energy: -200.221 Base-Backbone interact. energy: -0.998 local terms energy: -256.946552 where: bonds (distance) C4'-P energy: -53.678 bonds (distance) P-C4' energy: -67.274 flat angles C4'-P-C4' energy: -48.528 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: -35.153 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: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -510.305221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.305221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.305221 (E_RNA) where: Base-Base interactions energy: -275.688 where: short stacking energy: -142.670 Base-Backbone interact. energy: 1.545 local terms energy: -236.163086 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -74.489 flat angles C4'-P-C4' energy: -54.868 flat angles P-C4'-P energy: -27.733 tors. eta vs tors. theta energy: -19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -334.699534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.699534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.699534 (E_RNA) where: Base-Base interactions energy: -143.591 where: short stacking energy: -93.743 Base-Backbone interact. energy: -0.399 local terms energy: -190.710085 where: bonds (distance) C4'-P energy: -61.418 bonds (distance) P-C4' energy: -54.337 flat angles C4'-P-C4' energy: -55.004 flat angles P-C4'-P energy: -21.244 tors. eta vs tors. theta energy: 1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -315.877470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.877470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.877470 (E_RNA) where: Base-Base interactions energy: -110.034 where: short stacking energy: -82.597 Base-Backbone interact. energy: 1.220 local terms energy: -207.063339 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -57.965 flat angles C4'-P-C4' energy: -60.209 flat angles P-C4'-P energy: -36.003 tors. eta vs tors. theta energy: 4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1127.726604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.726604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.726604 (E_RNA) where: Base-Base interactions energy: -767.780 where: short stacking energy: -345.026 Base-Backbone interact. energy: -2.117 local terms energy: -357.829071 where: bonds (distance) C4'-P energy: -59.145 bonds (distance) P-C4' energy: -75.792 flat angles C4'-P-C4' energy: -79.768 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: -92.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1104.296836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.296836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.296836 (E_RNA) where: Base-Base interactions energy: -724.254 where: short stacking energy: -343.158 Base-Backbone interact. energy: -3.526 local terms energy: -376.516464 where: bonds (distance) C4'-P energy: -78.310 bonds (distance) P-C4' energy: -65.545 flat angles C4'-P-C4' energy: -79.950 flat angles P-C4'-P energy: -51.613 tors. eta vs tors. theta energy: -101.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1052.998504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.998504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.998504 (E_RNA) where: Base-Base interactions energy: -705.874 where: short stacking energy: -283.014 Base-Backbone interact. energy: -0.468 local terms energy: -346.656747 where: bonds (distance) C4'-P energy: -64.305 bonds (distance) P-C4' energy: -59.000 flat angles C4'-P-C4' energy: -75.402 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -91.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -956.981361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.981361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.981361 (E_RNA) where: Base-Base interactions energy: -621.539 where: short stacking energy: -296.153 Base-Backbone interact. energy: -3.015 local terms energy: -332.427451 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -65.678 flat angles P-C4'-P energy: -47.394 tors. eta vs tors. theta energy: -96.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -862.477141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.477141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.477141 (E_RNA) where: Base-Base interactions energy: -572.008 where: short stacking energy: -259.089 Base-Backbone interact. energy: -1.726 local terms energy: -288.743141 where: bonds (distance) C4'-P energy: -57.531 bonds (distance) P-C4' energy: -57.799 flat angles C4'-P-C4' energy: -64.067 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -66.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -705.550335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.550335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.550335 (E_RNA) where: Base-Base interactions energy: -426.190 where: short stacking energy: -191.481 Base-Backbone interact. energy: -1.061 local terms energy: -278.299247 where: bonds (distance) C4'-P energy: -65.588 bonds (distance) P-C4' energy: -56.811 flat angles C4'-P-C4' energy: -66.135 flat angles P-C4'-P energy: -46.882 tors. eta vs tors. theta energy: -42.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -636.003975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.003975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.003975 (E_RNA) where: Base-Base interactions energy: -391.801 where: short stacking energy: -210.867 Base-Backbone interact. energy: -0.637 local terms energy: -243.566208 where: bonds (distance) C4'-P energy: -46.490 bonds (distance) P-C4' energy: -54.948 flat angles C4'-P-C4' energy: -59.643 flat angles P-C4'-P energy: -36.652 tors. eta vs tors. theta energy: -45.834 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: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -532.792851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.792851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.792851 (E_RNA) where: Base-Base interactions energy: -301.946 where: short stacking energy: -171.920 Base-Backbone interact. energy: 3.177 local terms energy: -234.023174 where: bonds (distance) C4'-P energy: -54.699 bonds (distance) P-C4' energy: -61.665 flat angles C4'-P-C4' energy: -55.074 flat angles P-C4'-P energy: -41.853 tors. eta vs tors. theta energy: -20.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -323.386215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.386215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.386215 (E_RNA) where: Base-Base interactions energy: -123.617 where: short stacking energy: -71.132 Base-Backbone interact. energy: -0.196 local terms energy: -199.573862 where: bonds (distance) C4'-P energy: -61.247 bonds (distance) P-C4' energy: -59.142 flat angles C4'-P-C4' energy: -59.478 flat angles P-C4'-P energy: -30.162 tors. eta vs tors. theta energy: 10.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -295.998260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.998260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.998260 (E_RNA) where: Base-Base interactions energy: -122.021 where: short stacking energy: -88.361 Base-Backbone interact. energy: -1.373 local terms energy: -172.603637 where: bonds (distance) C4'-P energy: -50.595 bonds (distance) P-C4' energy: -53.685 flat angles C4'-P-C4' energy: -47.714 flat angles P-C4'-P energy: -30.046 tors. eta vs tors. theta energy: 9.435 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: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1139.862008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.862008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.862008 (E_RNA) where: Base-Base interactions energy: -767.066 where: short stacking energy: -327.622 Base-Backbone interact. energy: -1.591 local terms energy: -371.204811 where: bonds (distance) C4'-P energy: -70.852 bonds (distance) P-C4' energy: -75.537 flat angles C4'-P-C4' energy: -80.828 flat angles P-C4'-P energy: -56.294 tors. eta vs tors. theta energy: -87.693 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: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1072.797740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.797740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.797740 (E_RNA) where: Base-Base interactions energy: -706.039 where: short stacking energy: -342.356 Base-Backbone interact. energy: -2.039 local terms energy: -364.719862 where: bonds (distance) C4'-P energy: -68.694 bonds (distance) P-C4' energy: -72.090 flat angles C4'-P-C4' energy: -74.418 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: -99.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1063.282923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.282923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.282923 (E_RNA) where: Base-Base interactions energy: -734.438 where: short stacking energy: -295.369 Base-Backbone interact. energy: 1.009 local terms energy: -329.853735 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -70.469 flat angles C4'-P-C4' energy: -70.843 flat angles P-C4'-P energy: -47.069 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: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -957.827387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.827387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.827387 (E_RNA) where: Base-Base interactions energy: -621.982 where: short stacking energy: -308.794 Base-Backbone interact. energy: -1.546 local terms energy: -334.299543 where: bonds (distance) C4'-P energy: -61.725 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -70.705 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: -88.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -865.395063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.395063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.395063 (E_RNA) where: Base-Base interactions energy: -555.288 where: short stacking energy: -243.629 Base-Backbone interact. energy: -0.042 local terms energy: -310.064364 where: bonds (distance) C4'-P energy: -64.351 bonds (distance) P-C4' energy: -67.208 flat angles C4'-P-C4' energy: -66.974 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -64.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -723.695016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.695016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.695016 (E_RNA) where: Base-Base interactions energy: -459.674 where: short stacking energy: -229.017 Base-Backbone interact. energy: -1.262 local terms energy: -262.759347 where: bonds (distance) C4'-P energy: -37.930 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -37.190 tors. eta vs tors. theta energy: -59.947 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: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -631.859015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.859015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.859015 (E_RNA) where: Base-Base interactions energy: -378.623 where: short stacking energy: -182.112 Base-Backbone interact. energy: -0.178 local terms energy: -253.057702 where: bonds (distance) C4'-P energy: -67.538 bonds (distance) P-C4' energy: -56.224 flat angles C4'-P-C4' energy: -57.794 flat angles P-C4'-P energy: -39.935 tors. eta vs tors. theta energy: -31.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -513.912161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.912161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.912161 (E_RNA) where: Base-Base interactions energy: -282.297 where: short stacking energy: -149.911 Base-Backbone interact. energy: -0.480 local terms energy: -231.135618 where: bonds (distance) C4'-P energy: -66.954 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -33.339 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: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -357.100378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.100378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.100378 (E_RNA) where: Base-Base interactions energy: -155.280 where: short stacking energy: -98.812 Base-Backbone interact. energy: 5.343 local terms energy: -207.163169 where: bonds (distance) C4'-P energy: -53.330 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -57.057 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: -8.171 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: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -273.773895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.773895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.773895 (E_RNA) where: Base-Base interactions energy: -101.831 where: short stacking energy: -69.244 Base-Backbone interact. energy: 5.274 local terms energy: -177.216883 where: bonds (distance) C4'-P energy: -55.716 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -27.490 tors. eta vs tors. theta energy: 15.964 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: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1150.774109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.774109 (E_RNA) where: Base-Base interactions energy: -795.235 where: short stacking energy: -331.412 Base-Backbone interact. energy: 0.753 local terms energy: -356.291806 where: bonds (distance) C4'-P energy: -63.716 bonds (distance) P-C4' energy: -67.194 flat angles C4'-P-C4' energy: -79.446 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -95.247 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: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1090.804683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.804683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.804683 (E_RNA) where: Base-Base interactions energy: -733.570 where: short stacking energy: -315.787 Base-Backbone interact. energy: -1.243 local terms energy: -355.991793 where: bonds (distance) C4'-P energy: -58.171 bonds (distance) P-C4' energy: -70.768 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -58.651 tors. eta vs tors. theta energy: -99.307 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: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1042.723757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.723757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.723757 (E_RNA) where: Base-Base interactions energy: -715.380 where: short stacking energy: -306.153 Base-Backbone interact. energy: -0.232 local terms energy: -327.112517 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -71.020 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -33.939 tors. eta vs tors. theta energy: -88.551 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: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -973.106464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.106464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.106464 (E_RNA) where: Base-Base interactions energy: -629.529 where: short stacking energy: -289.216 Base-Backbone interact. energy: -3.031 local terms energy: -340.546544 where: bonds (distance) C4'-P energy: -61.528 bonds (distance) P-C4' energy: -73.201 flat angles C4'-P-C4' energy: -75.107 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -85.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -867.453401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.453401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.453401 (E_RNA) where: Base-Base interactions energy: -558.518 where: short stacking energy: -264.329 Base-Backbone interact. energy: -1.921 local terms energy: -307.014693 where: bonds (distance) C4'-P energy: -57.863 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -67.497 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -69.003 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: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -761.028905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.028905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.028905 (E_RNA) where: Base-Base interactions energy: -474.158 where: short stacking energy: -225.312 Base-Backbone interact. energy: -0.832 local terms energy: -286.038983 where: bonds (distance) C4'-P energy: -57.403 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -60.188 flat angles P-C4'-P energy: -46.508 tors. eta vs tors. theta energy: -59.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -647.091751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.091751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.091751 (E_RNA) where: Base-Base interactions energy: -394.827 where: short stacking energy: -197.395 Base-Backbone interact. energy: -1.397 local terms energy: -250.867730 where: bonds (distance) C4'-P energy: -52.011 bonds (distance) P-C4' energy: -57.525 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -39.287 tors. eta vs tors. theta energy: -43.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -508.406871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.406871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.406871 (E_RNA) where: Base-Base interactions energy: -277.234 where: short stacking energy: -146.500 Base-Backbone interact. energy: -0.654 local terms energy: -230.518578 where: bonds (distance) C4'-P energy: -47.368 bonds (distance) P-C4' energy: -70.590 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -29.544 tors. eta vs tors. theta energy: -19.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -339.840982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.840982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.840982 (E_RNA) where: Base-Base interactions energy: -133.014 where: short stacking energy: -85.686 Base-Backbone interact. energy: -0.377 local terms energy: -206.450603 where: bonds (distance) C4'-P energy: -51.111 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -59.029 flat angles P-C4'-P energy: -40.825 tors. eta vs tors. theta energy: 5.301 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: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -274.986950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.986950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.986950 (E_RNA) where: Base-Base interactions energy: -97.096 where: short stacking energy: -70.694 Base-Backbone interact. energy: -1.144 local terms energy: -176.747072 where: bonds (distance) C4'-P energy: -55.455 bonds (distance) P-C4' energy: -59.907 flat angles C4'-P-C4' energy: -51.172 flat angles P-C4'-P energy: -18.658 tors. eta vs tors. theta energy: 8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1159.912950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.912950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.912950 (E_RNA) where: Base-Base interactions energy: -788.222 where: short stacking energy: -338.911 Base-Backbone interact. energy: -2.050 local terms energy: -369.640740 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -68.774 flat angles C4'-P-C4' energy: -75.347 flat angles P-C4'-P energy: -60.781 tors. eta vs tors. theta energy: -100.674 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: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1096.480074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.480074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.480074 (E_RNA) where: Base-Base interactions energy: -717.089 where: short stacking energy: -326.237 Base-Backbone interact. energy: -0.581 local terms energy: -378.810186 where: bonds (distance) C4'-P energy: -70.279 bonds (distance) P-C4' energy: -72.148 flat angles C4'-P-C4' energy: -81.472 flat angles P-C4'-P energy: -62.278 tors. eta vs tors. theta energy: -92.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1042.745995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.745995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.745995 (E_RNA) where: Base-Base interactions energy: -687.733 where: short stacking energy: -306.151 Base-Backbone interact. energy: -0.041 local terms energy: -354.971737 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -77.258 flat angles P-C4'-P energy: -49.514 tors. eta vs tors. theta energy: -91.918 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: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -925.904581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.904581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.904581 (E_RNA) where: Base-Base interactions energy: -600.773 where: short stacking energy: -257.727 Base-Backbone interact. energy: -0.506 local terms energy: -324.625684 where: bonds (distance) C4'-P energy: -75.397 bonds (distance) P-C4' energy: -71.817 flat angles C4'-P-C4' energy: -61.199 flat angles P-C4'-P energy: -33.201 tors. eta vs tors. theta energy: -83.011 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: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -869.298848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.298848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.298848 (E_RNA) where: Base-Base interactions energy: -557.690 where: short stacking energy: -276.783 Base-Backbone interact. energy: -1.469 local terms energy: -310.139767 where: bonds (distance) C4'-P energy: -60.306 bonds (distance) P-C4' energy: -68.814 flat angles C4'-P-C4' energy: -71.343 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -64.620 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: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -816.308689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.308689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.308689 (E_RNA) where: Base-Base interactions energy: -517.464 where: short stacking energy: -222.802 Base-Backbone interact. energy: -1.086 local terms energy: -297.758968 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -71.754 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: -56.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -643.442906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.442906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.442906 (E_RNA) where: Base-Base interactions energy: -376.420 where: short stacking energy: -188.982 Base-Backbone interact. energy: -0.661 local terms energy: -266.362517 where: bonds (distance) C4'-P energy: -66.912 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -51.202 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -42.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -506.713088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.713088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.713088 (E_RNA) where: Base-Base interactions energy: -280.655 where: short stacking energy: -159.464 Base-Backbone interact. energy: -3.061 local terms energy: -222.996242 where: bonds (distance) C4'-P energy: -65.254 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -47.507 flat angles P-C4'-P energy: -39.966 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -404.582571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.582571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.582571 (E_RNA) where: Base-Base interactions energy: -199.151 where: short stacking energy: -98.101 Base-Backbone interact. energy: -1.159 local terms energy: -204.272162 where: bonds (distance) C4'-P energy: -59.146 bonds (distance) P-C4' energy: -70.217 flat angles C4'-P-C4' energy: -47.734 flat angles P-C4'-P energy: -40.911 tors. eta vs tors. theta energy: 13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -279.794712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.794712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.794712 (E_RNA) where: Base-Base interactions energy: -91.731 where: short stacking energy: -88.559 Base-Backbone interact. energy: -1.358 local terms energy: -186.705136 where: bonds (distance) C4'-P energy: -58.612 bonds (distance) P-C4' energy: -62.331 flat angles C4'-P-C4' energy: -54.041 flat angles P-C4'-P energy: -18.758 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: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1140.691120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.691120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.691120 (E_RNA) where: Base-Base interactions energy: -774.266 where: short stacking energy: -321.307 Base-Backbone interact. energy: 3.870 local terms energy: -370.295383 where: bonds (distance) C4'-P energy: -72.365 bonds (distance) P-C4' energy: -74.772 flat angles C4'-P-C4' energy: -67.452 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -98.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1083.355864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.355864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.355864 (E_RNA) where: Base-Base interactions energy: -708.963 where: short stacking energy: -339.887 Base-Backbone interact. energy: -1.556 local terms energy: -372.836542 where: bonds (distance) C4'-P energy: -71.768 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -70.829 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -105.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1038.973353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.973353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.973353 (E_RNA) where: Base-Base interactions energy: -676.659 where: short stacking energy: -311.979 Base-Backbone interact. energy: -0.802 local terms energy: -361.512415 where: bonds (distance) C4'-P energy: -74.687 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -77.489 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -94.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -920.361067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.361067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.361067 (E_RNA) where: Base-Base interactions energy: -593.847 where: short stacking energy: -274.173 Base-Backbone interact. energy: -2.080 local terms energy: -324.433177 where: bonds (distance) C4'-P energy: -57.461 bonds (distance) P-C4' energy: -72.401 flat angles C4'-P-C4' energy: -73.304 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -75.200 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: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -834.501427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.501427 (E_RNA) where: Base-Base interactions energy: -536.118 where: short stacking energy: -239.607 Base-Backbone interact. energy: -1.480 local terms energy: -296.903526 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -68.343 flat angles C4'-P-C4' energy: -59.573 flat angles P-C4'-P energy: -34.628 tors. eta vs tors. theta energy: -69.721 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: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -835.829034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.829034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.829034 (E_RNA) where: Base-Base interactions energy: -546.204 where: short stacking energy: -252.451 Base-Backbone interact. energy: -0.718 local terms energy: -288.906812 where: bonds (distance) C4'-P energy: -46.283 bonds (distance) P-C4' energy: -58.913 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -69.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -653.857897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.857897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.857897 (E_RNA) where: Base-Base interactions energy: -387.190 where: short stacking energy: -207.456 Base-Backbone interact. energy: -1.026 local terms energy: -265.641684 where: bonds (distance) C4'-P energy: -57.149 bonds (distance) P-C4' energy: -62.130 flat angles C4'-P-C4' energy: -63.929 flat angles P-C4'-P energy: -39.453 tors. eta vs tors. theta energy: -42.981 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: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -589.018734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.018734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.018734 (E_RNA) where: Base-Base interactions energy: -348.178 where: short stacking energy: -154.721 Base-Backbone interact. energy: -1.815 local terms energy: -239.025980 where: bonds (distance) C4'-P energy: -51.319 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -63.319 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -25.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -443.186564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.186564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.186564 (E_RNA) where: Base-Base interactions energy: -223.190 where: short stacking energy: -135.617 Base-Backbone interact. energy: -0.087 local terms energy: -219.908932 where: bonds (distance) C4'-P energy: -57.745 bonds (distance) P-C4' energy: -61.447 flat angles C4'-P-C4' energy: -54.692 flat angles P-C4'-P energy: -24.673 tors. eta vs tors. theta energy: -21.352 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: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -285.810533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.810533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.810533 (E_RNA) where: Base-Base interactions energy: -88.582 where: short stacking energy: -82.961 Base-Backbone interact. energy: 0.276 local terms energy: -197.504474 where: bonds (distance) C4'-P energy: -51.189 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -55.345 flat angles P-C4'-P energy: -42.699 tors. eta vs tors. theta energy: 10.954 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: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1127.973970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.973970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.973970 (E_RNA) where: Base-Base interactions energy: -776.004 where: short stacking energy: -330.951 Base-Backbone interact. energy: 1.386 local terms energy: -353.356251 where: bonds (distance) C4'-P energy: -75.429 bonds (distance) P-C4' energy: -58.891 flat angles C4'-P-C4' energy: -73.025 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -96.541 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: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1078.630784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.630784 (E_RNA) where: Base-Base interactions energy: -724.175 where: short stacking energy: -347.744 Base-Backbone interact. energy: -2.859 local terms energy: -351.596814 where: bonds (distance) C4'-P energy: -65.396 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -63.630 flat angles P-C4'-P energy: -50.092 tors. eta vs tors. theta energy: -101.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1029.767163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.767163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.767163 (E_RNA) where: Base-Base interactions energy: -678.886 where: short stacking energy: -312.018 Base-Backbone interact. energy: -1.934 local terms energy: -348.947677 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -76.126 flat angles P-C4'-P energy: -56.869 tors. eta vs tors. theta energy: -92.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -928.627005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.627005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.627005 (E_RNA) where: Base-Base interactions energy: -628.882 where: short stacking energy: -262.219 Base-Backbone interact. energy: 3.102 local terms energy: -302.846159 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -56.868 flat angles C4'-P-C4' energy: -72.434 flat angles P-C4'-P energy: -31.782 tors. eta vs tors. theta energy: -82.464 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: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -800.600637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.600637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.600637 (E_RNA) where: Base-Base interactions energy: -502.752 where: short stacking energy: -243.936 Base-Backbone interact. energy: -1.072 local terms energy: -296.775670 where: bonds (distance) C4'-P energy: -61.421 bonds (distance) P-C4' energy: -65.177 flat angles C4'-P-C4' energy: -62.116 flat angles P-C4'-P energy: -52.815 tors. eta vs tors. theta energy: -55.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -822.454448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.454448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.454448 (E_RNA) where: Base-Base interactions energy: -516.425 where: short stacking energy: -222.190 Base-Backbone interact. energy: -0.995 local terms energy: -305.034050 where: bonds (distance) C4'-P energy: -63.604 bonds (distance) P-C4' energy: -60.437 flat angles C4'-P-C4' energy: -68.832 flat angles P-C4'-P energy: -54.163 tors. eta vs tors. theta energy: -57.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -633.127480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.127480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.127480 (E_RNA) where: Base-Base interactions energy: -391.382 where: short stacking energy: -208.990 Base-Backbone interact. energy: 0.293 local terms energy: -242.038234 where: bonds (distance) C4'-P energy: -49.811 bonds (distance) P-C4' energy: -68.436 flat angles C4'-P-C4' energy: -52.663 flat angles P-C4'-P energy: -35.387 tors. eta vs tors. theta energy: -35.741 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: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -600.164626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.164626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.164626 (E_RNA) where: Base-Base interactions energy: -349.700 where: short stacking energy: -160.590 Base-Backbone interact. energy: 3.996 local terms energy: -254.460788 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -57.861 flat angles C4'-P-C4' energy: -56.662 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: -32.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -399.914886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.914886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.914886 (E_RNA) where: Base-Base interactions energy: -192.248 where: short stacking energy: -121.351 Base-Backbone interact. energy: 0.897 local terms energy: -208.564641 where: bonds (distance) C4'-P energy: -45.658 bonds (distance) P-C4' energy: -66.252 flat angles C4'-P-C4' energy: -56.307 flat angles P-C4'-P energy: -29.445 tors. eta vs tors. theta energy: -10.901 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: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -312.812090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.812090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.812090 (E_RNA) where: Base-Base interactions energy: -148.549 where: short stacking energy: -91.737 Base-Backbone interact. energy: 0.989 local terms energy: -165.252542 where: bonds (distance) C4'-P energy: -57.206 bonds (distance) P-C4' energy: -56.726 flat angles C4'-P-C4' energy: -46.781 flat angles P-C4'-P energy: -14.272 tors. eta vs tors. theta energy: 9.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1136.767380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.767380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.767380 (E_RNA) where: Base-Base interactions energy: -773.909 where: short stacking energy: -329.353 Base-Backbone interact. energy: 1.143 local terms energy: -364.000663 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -67.473 flat angles C4'-P-C4' energy: -82.640 flat angles P-C4'-P energy: -56.673 tors. eta vs tors. theta energy: -89.484 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: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1045.374580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.374580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.374580 (E_RNA) where: Base-Base interactions energy: -689.991 where: short stacking energy: -326.299 Base-Backbone interact. energy: -1.025 local terms energy: -354.358901 where: bonds (distance) C4'-P energy: -66.769 bonds (distance) P-C4' energy: -61.469 flat angles C4'-P-C4' energy: -72.422 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -93.625 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: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1027.493992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.493992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.493992 (E_RNA) where: Base-Base interactions energy: -688.286 where: short stacking energy: -300.226 Base-Backbone interact. energy: -0.073 local terms energy: -339.134907 where: bonds (distance) C4'-P energy: -73.938 bonds (distance) P-C4' energy: -77.029 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -41.999 tors. eta vs tors. theta energy: -79.631 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: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -917.673718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.673718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.673718 (E_RNA) where: Base-Base interactions energy: -603.481 where: short stacking energy: -289.878 Base-Backbone interact. energy: -2.316 local terms energy: -311.876168 where: bonds (distance) C4'-P energy: -62.563 bonds (distance) P-C4' energy: -58.509 flat angles C4'-P-C4' energy: -69.752 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -81.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -873.996037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.996037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.996037 (E_RNA) where: Base-Base interactions energy: -564.204 where: short stacking energy: -252.956 Base-Backbone interact. energy: -2.950 local terms energy: -306.842100 where: bonds (distance) C4'-P energy: -70.904 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -62.501 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -69.141 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: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -824.748393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.748393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.748393 (E_RNA) where: Base-Base interactions energy: -531.238 where: short stacking energy: -239.881 Base-Backbone interact. energy: -0.715 local terms energy: -292.795433 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -67.136 flat angles C4'-P-C4' energy: -65.234 flat angles P-C4'-P energy: -40.677 tors. eta vs tors. theta energy: -61.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -577.446629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.446629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.446629 (E_RNA) where: Base-Base interactions energy: -328.280 where: short stacking energy: -171.591 Base-Backbone interact. energy: -0.428 local terms energy: -248.738654 where: bonds (distance) C4'-P energy: -49.994 bonds (distance) P-C4' energy: -66.905 flat angles C4'-P-C4' energy: -48.728 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -38.572 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: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -566.114016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.114016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.114016 (E_RNA) where: Base-Base interactions energy: -341.290 where: short stacking energy: -160.084 Base-Backbone interact. energy: -0.197 local terms energy: -224.627226 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -50.823 flat angles P-C4'-P energy: -27.831 tors. eta vs tors. theta energy: -24.833 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: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -337.520019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.520019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.520019 (E_RNA) where: Base-Base interactions energy: -136.634 where: short stacking energy: -106.632 Base-Backbone interact. energy: 2.942 local terms energy: -203.827825 where: bonds (distance) C4'-P energy: -55.001 bonds (distance) P-C4' energy: -60.418 flat angles C4'-P-C4' energy: -64.042 flat angles P-C4'-P energy: -29.255 tors. eta vs tors. theta energy: 4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -364.356374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.356374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.356374 (E_RNA) where: Base-Base interactions energy: -175.508 where: short stacking energy: -103.151 Base-Backbone interact. energy: -1.361 local terms energy: -187.487412 where: bonds (distance) C4'-P energy: -66.241 bonds (distance) P-C4' energy: -59.419 flat angles C4'-P-C4' energy: -38.571 flat angles P-C4'-P energy: -24.479 tors. eta vs tors. theta energy: 1.222 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: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1132.479477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.479477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.479477 (E_RNA) where: Base-Base interactions energy: -784.000 where: short stacking energy: -333.892 Base-Backbone interact. energy: -1.018 local terms energy: -347.461107 where: bonds (distance) C4'-P energy: -63.771 bonds (distance) P-C4' energy: -63.570 flat angles C4'-P-C4' energy: -79.479 flat angles P-C4'-P energy: -53.558 tors. eta vs tors. theta energy: -87.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1073.496929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.496929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.496929 (E_RNA) where: Base-Base interactions energy: -690.904 where: short stacking energy: -344.252 Base-Backbone interact. energy: -1.853 local terms energy: -380.739749 where: bonds (distance) C4'-P energy: -63.986 bonds (distance) P-C4' energy: -70.548 flat angles C4'-P-C4' energy: -83.069 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -104.055 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: 205 Temperature: 1.000000 Total energy: -1004.789800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.789800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.789800 (E_RNA) where: Base-Base interactions energy: -682.204 where: short stacking energy: -305.779 Base-Backbone interact. energy: -0.770 local terms energy: -321.815663 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -59.437 flat angles C4'-P-C4' energy: -63.333 flat angles P-C4'-P energy: -54.610 tors. eta vs tors. theta energy: -79.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -947.841287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.841287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.841287 (E_RNA) where: Base-Base interactions energy: -611.989 where: short stacking energy: -268.132 Base-Backbone interact. energy: -1.915 local terms energy: -333.937270 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -67.986 flat angles C4'-P-C4' energy: -76.745 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -80.693 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: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -826.265150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.265150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.265150 (E_RNA) where: Base-Base interactions energy: -521.350 where: short stacking energy: -244.659 Base-Backbone interact. energy: -1.223 local terms energy: -303.691517 where: bonds (distance) C4'-P energy: -65.865 bonds (distance) P-C4' energy: -63.740 flat angles C4'-P-C4' energy: -58.980 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -60.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -833.874682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.874682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.874682 (E_RNA) where: Base-Base interactions energy: -545.624 where: short stacking energy: -246.814 Base-Backbone interact. energy: -1.335 local terms energy: -286.915573 where: bonds (distance) C4'-P energy: -57.017 bonds (distance) P-C4' energy: -63.159 flat angles C4'-P-C4' energy: -62.607 flat angles P-C4'-P energy: -50.953 tors. eta vs tors. theta energy: -53.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -651.065544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.065544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.065544 (E_RNA) where: Base-Base interactions energy: -382.425 where: short stacking energy: -199.779 Base-Backbone interact. energy: -1.541 local terms energy: -267.099495 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -72.216 flat angles C4'-P-C4' energy: -62.743 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: -41.416 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: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -509.844129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.844129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.844129 (E_RNA) where: Base-Base interactions energy: -277.531 where: short stacking energy: -161.887 Base-Backbone interact. energy: -2.658 local terms energy: -229.655090 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -50.235 flat angles P-C4'-P energy: -35.686 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: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -312.173497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.173497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.173497 (E_RNA) where: Base-Base interactions energy: -114.567 where: short stacking energy: -80.473 Base-Backbone interact. energy: 4.469 local terms energy: -202.075304 where: bonds (distance) C4'-P energy: -60.472 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -57.373 flat angles P-C4'-P energy: -28.748 tors. eta vs tors. theta energy: 4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -332.402049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.402049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.402049 (E_RNA) where: Base-Base interactions energy: -147.863 where: short stacking energy: -87.383 Base-Backbone interact. energy: 0.688 local terms energy: -185.226971 where: bonds (distance) C4'-P energy: -43.689 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -57.157 flat angles P-C4'-P energy: -22.173 tors. eta vs tors. theta energy: 4.244 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: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1141.209918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.209918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.209918 (E_RNA) where: Base-Base interactions energy: -773.504 where: short stacking energy: -337.370 Base-Backbone interact. energy: -0.236 local terms energy: -367.469940 where: bonds (distance) C4'-P energy: -63.541 bonds (distance) P-C4' energy: -72.827 flat angles C4'-P-C4' energy: -80.359 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -93.313 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: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1070.871924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.871924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.871924 (E_RNA) where: Base-Base interactions energy: -705.412 where: short stacking energy: -327.248 Base-Backbone interact. energy: -1.922 local terms energy: -363.537666 where: bonds (distance) C4'-P energy: -68.569 bonds (distance) P-C4' energy: -69.726 flat angles C4'-P-C4' energy: -75.260 flat angles P-C4'-P energy: -46.960 tors. eta vs tors. theta energy: -103.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1014.233638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.233638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.233638 (E_RNA) where: Base-Base interactions energy: -691.340 where: short stacking energy: -278.762 Base-Backbone interact. energy: -1.582 local terms energy: -321.311745 where: bonds (distance) C4'-P energy: -47.711 bonds (distance) P-C4' energy: -69.450 flat angles C4'-P-C4' energy: -77.557 flat angles P-C4'-P energy: -47.669 tors. eta vs tors. theta energy: -78.925 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -921.700616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.700616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.700616 (E_RNA) where: Base-Base interactions energy: -609.316 where: short stacking energy: -274.282 Base-Backbone interact. energy: -1.571 local terms energy: -310.813288 where: bonds (distance) C4'-P energy: -59.326 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -73.285 flat angles P-C4'-P energy: -39.234 tors. eta vs tors. theta energy: -79.959 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: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -866.593949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.593949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.593949 (E_RNA) where: Base-Base interactions energy: -566.660 where: short stacking energy: -258.106 Base-Backbone interact. energy: -0.839 local terms energy: -299.095073 where: bonds (distance) C4'-P energy: -59.153 bonds (distance) P-C4' energy: -69.077 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: -72.318 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: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -837.125167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.125167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.125167 (E_RNA) where: Base-Base interactions energy: -560.268 where: short stacking energy: -248.244 Base-Backbone interact. energy: 2.570 local terms energy: -279.426642 where: bonds (distance) C4'-P energy: -53.376 bonds (distance) P-C4' energy: -58.110 flat angles C4'-P-C4' energy: -63.878 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -62.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -658.904548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.904548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.904548 (E_RNA) where: Base-Base interactions energy: -402.387 where: short stacking energy: -195.183 Base-Backbone interact. energy: -1.550 local terms energy: -254.968050 where: bonds (distance) C4'-P energy: -54.429 bonds (distance) P-C4' energy: -64.721 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -41.412 tors. eta vs tors. theta energy: -37.385 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: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -532.097657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.097657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.097657 (E_RNA) where: Base-Base interactions energy: -305.552 where: short stacking energy: -158.639 Base-Backbone interact. energy: -0.928 local terms energy: -225.617816 where: bonds (distance) C4'-P energy: -58.380 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -50.542 flat angles P-C4'-P energy: -25.227 tors. eta vs tors. theta energy: -27.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -394.826513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.826513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.826513 (E_RNA) where: Base-Base interactions energy: -187.451 where: short stacking energy: -103.599 Base-Backbone interact. energy: 2.199 local terms energy: -209.574875 where: bonds (distance) C4'-P energy: -73.397 bonds (distance) P-C4' energy: -64.793 flat angles C4'-P-C4' energy: -47.574 flat angles P-C4'-P energy: -25.184 tors. eta vs tors. theta energy: 1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -319.152883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.152883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.152883 (E_RNA) where: Base-Base interactions energy: -132.379 where: short stacking energy: -76.995 Base-Backbone interact. energy: -1.496 local terms energy: -185.277313 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -61.856 flat angles C4'-P-C4' energy: -47.567 flat angles P-C4'-P energy: -28.842 tors. eta vs tors. theta energy: 9.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1149.158579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.158579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.158579 (E_RNA) where: Base-Base interactions energy: -776.893 where: short stacking energy: -324.612 Base-Backbone interact. energy: -2.710 local terms energy: -369.555694 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -72.224 flat angles C4'-P-C4' energy: -80.157 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -96.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1081.284238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.284238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.284238 (E_RNA) where: Base-Base interactions energy: -717.860 where: short stacking energy: -335.841 Base-Backbone interact. energy: -4.123 local terms energy: -359.301219 where: bonds (distance) C4'-P energy: -66.849 bonds (distance) P-C4' energy: -75.382 flat angles C4'-P-C4' energy: -71.745 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: -102.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1011.387256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.387256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.387256 (E_RNA) where: Base-Base interactions energy: -684.559 where: short stacking energy: -276.264 Base-Backbone interact. energy: -1.802 local terms energy: -325.026229 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -76.083 flat angles P-C4'-P energy: -45.608 tors. eta vs tors. theta energy: -74.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -944.903570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.903570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.903570 (E_RNA) where: Base-Base interactions energy: -614.766 where: short stacking energy: -281.367 Base-Backbone interact. energy: -1.899 local terms energy: -328.238701 where: bonds (distance) C4'-P energy: -65.102 bonds (distance) P-C4' energy: -62.881 flat angles C4'-P-C4' energy: -71.673 flat angles P-C4'-P energy: -49.861 tors. eta vs tors. theta energy: -78.722 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: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -854.199516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.199516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.199516 (E_RNA) where: Base-Base interactions energy: -554.789 where: short stacking energy: -255.849 Base-Backbone interact. energy: -2.293 local terms energy: -297.117403 where: bonds (distance) C4'-P energy: -55.757 bonds (distance) P-C4' energy: -65.094 flat angles C4'-P-C4' energy: -65.312 flat angles P-C4'-P energy: -42.895 tors. eta vs tors. theta energy: -68.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -820.380003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.380003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.380003 (E_RNA) where: Base-Base interactions energy: -540.446 where: short stacking energy: -253.004 Base-Backbone interact. energy: -1.072 local terms energy: -278.861823 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -57.783 flat angles C4'-P-C4' energy: -64.562 flat angles P-C4'-P energy: -36.474 tors. eta vs tors. theta energy: -63.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -691.696708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.696708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.696708 (E_RNA) where: Base-Base interactions energy: -415.505 where: short stacking energy: -200.547 Base-Backbone interact. energy: 1.193 local terms energy: -277.384682 where: bonds (distance) C4'-P energy: -60.011 bonds (distance) P-C4' energy: -71.685 flat angles C4'-P-C4' energy: -55.792 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -51.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -563.979495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.979495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.979495 (E_RNA) where: Base-Base interactions energy: -331.752 where: short stacking energy: -174.213 Base-Backbone interact. energy: 0.665 local terms energy: -232.892254 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -48.887 flat angles C4'-P-C4' energy: -57.647 flat angles P-C4'-P energy: -43.164 tors. eta vs tors. theta energy: -28.341 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -399.542342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.542342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.542342 (E_RNA) where: Base-Base interactions energy: -190.522 where: short stacking energy: -120.944 Base-Backbone interact. energy: 0.030 local terms energy: -209.050579 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -47.114 flat angles C4'-P-C4' energy: -51.016 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -277.286026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.286026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.286026 (E_RNA) where: Base-Base interactions energy: -81.968 where: short stacking energy: -70.480 Base-Backbone interact. energy: 0.349 local terms energy: -195.667318 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -66.091 flat angles C4'-P-C4' energy: -41.910 flat angles P-C4'-P energy: -29.946 tors. eta vs tors. theta energy: 12.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1102.312008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.312008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.312008 (E_RNA) where: Base-Base interactions energy: -742.525 where: short stacking energy: -337.593 Base-Backbone interact. energy: -1.646 local terms energy: -358.140918 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -66.355 flat angles C4'-P-C4' energy: -76.724 flat angles P-C4'-P energy: -56.235 tors. eta vs tors. theta energy: -97.430 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: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1099.690409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.690409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.690409 (E_RNA) where: Base-Base interactions energy: -759.429 where: short stacking energy: -315.360 Base-Backbone interact. energy: -1.544 local terms energy: -338.717628 where: bonds (distance) C4'-P energy: -57.560 bonds (distance) P-C4' energy: -69.844 flat angles C4'-P-C4' energy: -76.780 flat angles P-C4'-P energy: -49.994 tors. eta vs tors. theta energy: -84.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1039.570831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.570831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.570831 (E_RNA) where: Base-Base interactions energy: -679.811 where: short stacking energy: -292.192 Base-Backbone interact. energy: -2.019 local terms energy: -357.740778 where: bonds (distance) C4'-P energy: -75.074 bonds (distance) P-C4' energy: -70.202 flat angles C4'-P-C4' energy: -76.825 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -83.774 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: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -933.840267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.840267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.840267 (E_RNA) where: Base-Base interactions energy: -624.346 where: short stacking energy: -282.167 Base-Backbone interact. energy: -2.049 local terms energy: -307.445706 where: bonds (distance) C4'-P energy: -73.002 bonds (distance) P-C4' energy: -53.511 flat angles C4'-P-C4' energy: -64.488 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -71.606 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: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -841.356942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.356942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.356942 (E_RNA) where: Base-Base interactions energy: -550.224 where: short stacking energy: -246.458 Base-Backbone interact. energy: -1.529 local terms energy: -289.603387 where: bonds (distance) C4'-P energy: -65.234 bonds (distance) P-C4' energy: -60.158 flat angles C4'-P-C4' energy: -59.191 flat angles P-C4'-P energy: -45.793 tors. eta vs tors. theta energy: -59.228 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: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -756.784412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.784412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.784412 (E_RNA) where: Base-Base interactions energy: -467.193 where: short stacking energy: -220.660 Base-Backbone interact. energy: 0.441 local terms energy: -290.033007 where: bonds (distance) C4'-P energy: -56.866 bonds (distance) P-C4' energy: -70.216 flat angles C4'-P-C4' energy: -71.985 flat angles P-C4'-P energy: -39.685 tors. eta vs tors. theta energy: -51.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -604.939028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.939028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.939028 (E_RNA) where: Base-Base interactions energy: -343.654 where: short stacking energy: -175.681 Base-Backbone interact. energy: 2.051 local terms energy: -263.335816 where: bonds (distance) C4'-P energy: -63.343 bonds (distance) P-C4' energy: -65.689 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -23.329 tors. eta vs tors. theta energy: -38.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -580.327267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.327267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.327267 (E_RNA) where: Base-Base interactions energy: -343.153 where: short stacking energy: -169.177 Base-Backbone interact. energy: 1.041 local terms energy: -238.214564 where: bonds (distance) C4'-P energy: -62.847 bonds (distance) P-C4' energy: -51.088 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -35.702 tors. eta vs tors. theta energy: -33.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -365.599387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.599387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.599387 (E_RNA) where: Base-Base interactions energy: -176.370 where: short stacking energy: -96.228 Base-Backbone interact. energy: -0.873 local terms energy: -188.355886 where: bonds (distance) C4'-P energy: -51.315 bonds (distance) P-C4' energy: -58.500 flat angles C4'-P-C4' energy: -46.999 flat angles P-C4'-P energy: -35.592 tors. eta vs tors. theta energy: 4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -276.390654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.390654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.390654 (E_RNA) where: Base-Base interactions energy: -105.547 where: short stacking energy: -75.655 Base-Backbone interact. energy: -0.403 local terms energy: -170.441293 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -47.130 flat angles C4'-P-C4' energy: -42.166 flat angles P-C4'-P energy: -28.561 tors. eta vs tors. theta energy: 3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1129.848499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.848499 (E_RNA) where: Base-Base interactions energy: -751.648 where: short stacking energy: -346.481 Base-Backbone interact. energy: -3.049 local terms energy: -375.151819 where: bonds (distance) C4'-P energy: -67.674 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -78.385 flat angles P-C4'-P energy: -57.017 tors. eta vs tors. theta energy: -105.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1084.773867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.773867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.773867 (E_RNA) where: Base-Base interactions energy: -723.412 where: short stacking energy: -289.363 Base-Backbone interact. energy: -3.387 local terms energy: -357.975106 where: bonds (distance) C4'-P energy: -74.016 bonds (distance) P-C4' energy: -70.267 flat angles C4'-P-C4' energy: -73.938 flat angles P-C4'-P energy: -52.962 tors. eta vs tors. theta energy: -86.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1044.092128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.092128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.092128 (E_RNA) where: Base-Base interactions energy: -707.246 where: short stacking energy: -318.110 Base-Backbone interact. energy: 1.016 local terms energy: -337.862228 where: bonds (distance) C4'-P energy: -71.436 bonds (distance) P-C4' energy: -53.982 flat angles C4'-P-C4' energy: -77.748 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -89.406 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: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -938.198834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.198834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.198834 (E_RNA) where: Base-Base interactions energy: -597.355 where: short stacking energy: -267.717 Base-Backbone interact. energy: -0.373 local terms energy: -340.470840 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -80.216 flat angles P-C4'-P energy: -54.691 tors. eta vs tors. theta energy: -81.701 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: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -863.236166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.236166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.236166 (E_RNA) where: Base-Base interactions energy: -553.516 where: short stacking energy: -261.766 Base-Backbone interact. energy: 0.067 local terms energy: -309.786783 where: bonds (distance) C4'-P energy: -63.727 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -59.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -786.753627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.753627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.753627 (E_RNA) where: Base-Base interactions energy: -495.731 where: short stacking energy: -233.093 Base-Backbone interact. energy: -1.491 local terms energy: -289.531534 where: bonds (distance) C4'-P energy: -54.144 bonds (distance) P-C4' energy: -68.581 flat angles C4'-P-C4' energy: -61.714 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -58.203 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: 7, replica: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -593.601944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.601944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.601944 (E_RNA) where: Base-Base interactions energy: -358.282 where: short stacking energy: -168.117 Base-Backbone interact. energy: -1.524 local terms energy: -233.795361 where: bonds (distance) C4'-P energy: -54.198 bonds (distance) P-C4' energy: -58.518 flat angles C4'-P-C4' energy: -58.414 flat angles P-C4'-P energy: -38.317 tors. eta vs tors. theta energy: -24.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -539.395094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.395094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.395094 (E_RNA) where: Base-Base interactions energy: -313.744 where: short stacking energy: -153.300 Base-Backbone interact. energy: -0.815 local terms energy: -224.836544 where: bonds (distance) C4'-P energy: -56.596 bonds (distance) P-C4' energy: -61.500 flat angles C4'-P-C4' energy: -41.913 flat angles P-C4'-P energy: -36.491 tors. eta vs tors. theta energy: -28.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -347.779168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.779168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.779168 (E_RNA) where: Base-Base interactions energy: -156.979 where: short stacking energy: -98.024 Base-Backbone interact. energy: -0.828 local terms energy: -189.971776 where: bonds (distance) C4'-P energy: -51.948 bonds (distance) P-C4' energy: -60.629 flat angles C4'-P-C4' energy: -57.601 flat angles P-C4'-P energy: -25.755 tors. eta vs tors. theta energy: 5.961 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: 10, replica: 3 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -315.341080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.341080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.341080 (E_RNA) where: Base-Base interactions energy: -143.266 where: short stacking energy: -95.915 Base-Backbone interact. energy: -1.106 local terms energy: -170.969227 where: bonds (distance) C4'-P energy: -49.233 bonds (distance) P-C4' energy: -47.159 flat angles C4'-P-C4' energy: -44.920 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: 1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1142.039828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.039828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.039828 (E_RNA) where: Base-Base interactions energy: -778.783 where: short stacking energy: -339.802 Base-Backbone interact. energy: 0.029 local terms energy: -363.286283 where: bonds (distance) C4'-P energy: -63.424 bonds (distance) P-C4' energy: -70.778 flat angles C4'-P-C4' energy: -80.434 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -97.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1072.959616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.959616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.959616 (E_RNA) where: Base-Base interactions energy: -707.982 where: short stacking energy: -319.162 Base-Backbone interact. energy: -2.042 local terms energy: -362.936271 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -74.743 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -91.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1018.697795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.697795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.697795 (E_RNA) where: Base-Base interactions energy: -687.224 where: short stacking energy: -312.153 Base-Backbone interact. energy: 2.319 local terms energy: -333.792665 where: bonds (distance) C4'-P energy: -56.693 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -72.412 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: -80.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -918.241138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.241138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.241138 (E_RNA) where: Base-Base interactions energy: -594.553 where: short stacking energy: -251.370 Base-Backbone interact. energy: -3.042 local terms energy: -320.646217 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -66.710 flat angles C4'-P-C4' energy: -74.796 flat angles P-C4'-P energy: -51.524 tors. eta vs tors. theta energy: -68.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -870.424938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.424938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.424938 (E_RNA) where: Base-Base interactions energy: -553.122 where: short stacking energy: -254.535 Base-Backbone interact. energy: 2.039 local terms energy: -319.342615 where: bonds (distance) C4'-P energy: -64.967 bonds (distance) P-C4' energy: -72.835 flat angles C4'-P-C4' energy: -74.209 flat angles P-C4'-P energy: -43.885 tors. eta vs tors. theta energy: -63.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -775.924026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.924026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.924026 (E_RNA) where: Base-Base interactions energy: -486.715 where: short stacking energy: -256.664 Base-Backbone interact. energy: 0.619 local terms energy: -289.827318 where: bonds (distance) C4'-P energy: -59.192 bonds (distance) P-C4' energy: -58.167 flat angles C4'-P-C4' energy: -63.840 flat angles P-C4'-P energy: -43.493 tors. eta vs tors. theta energy: -65.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -642.604529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.604529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.604529 (E_RNA) where: Base-Base interactions energy: -379.177 where: short stacking energy: -194.566 Base-Backbone interact. energy: -2.179 local terms energy: -261.248086 where: bonds (distance) C4'-P energy: -54.328 bonds (distance) P-C4' energy: -62.250 flat angles C4'-P-C4' energy: -60.001 flat angles P-C4'-P energy: -31.605 tors. eta vs tors. theta energy: -53.063 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: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -539.735615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.735615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.735615 (E_RNA) where: Base-Base interactions energy: -309.237 where: short stacking energy: -165.162 Base-Backbone interact. energy: -0.854 local terms energy: -229.644409 where: bonds (distance) C4'-P energy: -47.278 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -33.416 tors. eta vs tors. theta energy: -31.242 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: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -352.180419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.180419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.180419 (E_RNA) where: Base-Base interactions energy: -126.869 where: short stacking energy: -88.148 Base-Backbone interact. energy: -1.105 local terms energy: -224.206708 where: bonds (distance) C4'-P energy: -56.709 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -49.870 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: 1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -286.734056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.734056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.734056 (E_RNA) where: Base-Base interactions energy: -99.034 where: short stacking energy: -65.359 Base-Backbone interact. energy: 0.283 local terms energy: -187.983101 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -65.248 flat angles C4'-P-C4' energy: -51.190 flat angles P-C4'-P energy: -37.928 tors. eta vs tors. theta energy: 20.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1113.649805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.649805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.649805 (E_RNA) where: Base-Base interactions energy: -748.941 where: short stacking energy: -300.214 Base-Backbone interact. energy: -2.399 local terms energy: -362.310221 where: bonds (distance) C4'-P energy: -76.261 bonds (distance) P-C4' energy: -69.556 flat angles C4'-P-C4' energy: -76.475 flat angles P-C4'-P energy: -54.595 tors. eta vs tors. theta energy: -85.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1076.255508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.255508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.255508 (E_RNA) where: Base-Base interactions energy: -695.476 where: short stacking energy: -329.786 Base-Backbone interact. energy: -2.111 local terms energy: -378.668460 where: bonds (distance) C4'-P energy: -71.382 bonds (distance) P-C4' energy: -68.638 flat angles C4'-P-C4' energy: -81.110 flat angles P-C4'-P energy: -52.851 tors. eta vs tors. theta energy: -104.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1011.259046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.259046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.259046 (E_RNA) where: Base-Base interactions energy: -670.768 where: short stacking energy: -291.665 Base-Backbone interact. energy: 0.090 local terms energy: -340.580995 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -66.793 flat angles C4'-P-C4' energy: -75.538 flat angles P-C4'-P energy: -46.487 tors. eta vs tors. theta energy: -85.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -920.291964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.291964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.291964 (E_RNA) where: Base-Base interactions energy: -610.848 where: short stacking energy: -255.784 Base-Backbone interact. energy: -1.618 local terms energy: -307.826485 where: bonds (distance) C4'-P energy: -69.072 bonds (distance) P-C4' energy: -66.816 flat angles C4'-P-C4' energy: -65.595 flat angles P-C4'-P energy: -38.701 tors. eta vs tors. theta energy: -67.643 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: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -905.286578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.286578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.286578 (E_RNA) where: Base-Base interactions energy: -604.049 where: short stacking energy: -288.612 Base-Backbone interact. energy: -1.421 local terms energy: -299.817086 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -61.498 flat angles P-C4'-P energy: -39.350 tors. eta vs tors. theta energy: -83.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -786.985228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.985228 (E_RNA) where: Base-Base interactions energy: -494.425 where: short stacking energy: -247.573 Base-Backbone interact. energy: 0.845 local terms energy: -293.404591 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -68.214 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -69.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -629.221802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.221802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.221802 (E_RNA) where: Base-Base interactions energy: -370.557 where: short stacking energy: -183.635 Base-Backbone interact. energy: -0.641 local terms energy: -258.023409 where: bonds (distance) C4'-P energy: -70.316 bonds (distance) P-C4' energy: -69.251 flat angles C4'-P-C4' energy: -56.132 flat angles P-C4'-P energy: -31.536 tors. eta vs tors. theta energy: -30.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -537.983288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.983288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.983288 (E_RNA) where: Base-Base interactions energy: -304.090 where: short stacking energy: -141.060 Base-Backbone interact. energy: -1.545 local terms energy: -232.348337 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -57.724 flat angles P-C4'-P energy: -26.777 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: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -338.685766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.685766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.685766 (E_RNA) where: Base-Base interactions energy: -152.341 where: short stacking energy: -88.637 Base-Backbone interact. energy: 2.021 local terms energy: -188.366424 where: bonds (distance) C4'-P energy: -50.606 bonds (distance) P-C4' energy: -57.565 flat angles C4'-P-C4' energy: -40.601 flat angles P-C4'-P energy: -34.054 tors. eta vs tors. theta energy: -5.540 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: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -289.188481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.188481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.188481 (E_RNA) where: Base-Base interactions energy: -99.182 where: short stacking energy: -73.957 Base-Backbone interact. energy: 0.212 local terms energy: -190.218275 where: bonds (distance) C4'-P energy: -67.748 bonds (distance) P-C4' energy: -66.004 flat angles C4'-P-C4' energy: -50.792 flat angles P-C4'-P energy: -23.720 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: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1097.489416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.489416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.489416 (E_RNA) where: Base-Base interactions energy: -740.567 where: short stacking energy: -322.640 Base-Backbone interact. energy: -1.815 local terms energy: -355.107509 where: bonds (distance) C4'-P energy: -67.151 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -71.473 flat angles P-C4'-P energy: -56.874 tors. eta vs tors. theta energy: -89.082 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: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1068.732661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.732661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.732661 (E_RNA) where: Base-Base interactions energy: -705.791 where: short stacking energy: -335.340 Base-Backbone interact. energy: -1.368 local terms energy: -361.573568 where: bonds (distance) C4'-P energy: -61.215 bonds (distance) P-C4' energy: -67.426 flat angles C4'-P-C4' energy: -83.854 flat angles P-C4'-P energy: -51.236 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: 3, replica: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1024.574391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.574391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.574391 (E_RNA) where: Base-Base interactions energy: -699.254 where: short stacking energy: -307.290 Base-Backbone interact. energy: 1.980 local terms energy: -327.300716 where: bonds (distance) C4'-P energy: -49.934 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -79.474 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -80.392 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: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -923.144916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.144916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.144916 (E_RNA) where: Base-Base interactions energy: -613.781 where: short stacking energy: -281.905 Base-Backbone interact. energy: -0.649 local terms energy: -308.714701 where: bonds (distance) C4'-P energy: -56.231 bonds (distance) P-C4' energy: -64.448 flat angles C4'-P-C4' energy: -69.264 flat angles P-C4'-P energy: -42.380 tors. eta vs tors. theta energy: -76.392 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: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -889.925904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.925904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.925904 (E_RNA) where: Base-Base interactions energy: -588.388 where: short stacking energy: -253.614 Base-Backbone interact. energy: -2.595 local terms energy: -298.942943 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -58.077 flat angles C4'-P-C4' energy: -59.751 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -62.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -802.975214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.975214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.975214 (E_RNA) where: Base-Base interactions energy: -502.160 where: short stacking energy: -246.718 Base-Backbone interact. energy: -0.689 local terms energy: -300.126146 where: bonds (distance) C4'-P energy: -69.685 bonds (distance) P-C4' energy: -53.958 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -39.339 tors. eta vs tors. theta energy: -73.201 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: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -665.697609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.697609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.697609 (E_RNA) where: Base-Base interactions energy: -397.763 where: short stacking energy: -197.889 Base-Backbone interact. energy: -0.640 local terms energy: -267.295138 where: bonds (distance) C4'-P energy: -65.577 bonds (distance) P-C4' energy: -75.012 flat angles C4'-P-C4' energy: -49.055 flat angles P-C4'-P energy: -38.311 tors. eta vs tors. theta energy: -39.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -510.190246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.190246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.190246 (E_RNA) where: Base-Base interactions energy: -292.673 where: short stacking energy: -146.453 Base-Backbone interact. energy: 1.671 local terms energy: -219.188336 where: bonds (distance) C4'-P energy: -41.981 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -52.565 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: -24.587 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: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -408.573047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.573047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.573047 (E_RNA) where: Base-Base interactions energy: -214.706 where: short stacking energy: -117.873 Base-Backbone interact. energy: -3.434 local terms energy: -190.433256 where: bonds (distance) C4'-P energy: -39.906 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -50.802 flat angles P-C4'-P energy: -36.818 tors. eta vs tors. theta energy: -9.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -292.262419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.262419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.262419 (E_RNA) where: Base-Base interactions energy: -117.156 where: short stacking energy: -100.961 Base-Backbone interact. energy: 1.312 local terms energy: -176.419081 where: bonds (distance) C4'-P energy: -60.820 bonds (distance) P-C4' energy: -65.364 flat angles C4'-P-C4' energy: -31.744 flat angles P-C4'-P energy: -16.045 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1113.889031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.889031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.889031 (E_RNA) where: Base-Base interactions energy: -765.539 where: short stacking energy: -320.801 Base-Backbone interact. energy: -2.407 local terms energy: -345.943101 where: bonds (distance) C4'-P energy: -63.380 bonds (distance) P-C4' energy: -62.341 flat angles C4'-P-C4' energy: -79.306 flat angles P-C4'-P energy: -47.951 tors. eta vs tors. theta energy: -92.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1060.547274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.547274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.547274 (E_RNA) where: Base-Base interactions energy: -708.281 where: short stacking energy: -332.877 Base-Backbone interact. energy: -2.022 local terms energy: -350.244135 where: bonds (distance) C4'-P energy: -69.741 bonds (distance) P-C4' energy: -61.400 flat angles C4'-P-C4' energy: -76.075 flat angles P-C4'-P energy: -46.385 tors. eta vs tors. theta energy: -96.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1039.385002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.385002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.385002 (E_RNA) where: Base-Base interactions energy: -685.684 where: short stacking energy: -309.046 Base-Backbone interact. energy: -1.631 local terms energy: -352.070505 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -78.112 flat angles P-C4'-P energy: -49.904 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: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -929.134516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.134516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.134516 (E_RNA) where: Base-Base interactions energy: -618.213 where: short stacking energy: -278.694 Base-Backbone interact. energy: -0.331 local terms energy: -310.590286 where: bonds (distance) C4'-P energy: -63.825 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -62.072 flat angles P-C4'-P energy: -42.277 tors. eta vs tors. theta energy: -80.727 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -884.666572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.666572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.666572 (E_RNA) where: Base-Base interactions energy: -568.327 where: short stacking energy: -256.769 Base-Backbone interact. energy: -1.138 local terms energy: -315.201843 where: bonds (distance) C4'-P energy: -71.965 bonds (distance) P-C4' energy: -59.534 flat angles C4'-P-C4' energy: -79.465 flat angles P-C4'-P energy: -34.121 tors. eta vs tors. theta energy: -70.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -776.591095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.591095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.591095 (E_RNA) where: Base-Base interactions energy: -492.061 where: short stacking energy: -225.227 Base-Backbone interact. energy: 0.764 local terms energy: -285.294011 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -63.794 flat angles P-C4'-P energy: -36.083 tors. eta vs tors. theta energy: -59.796 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: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -636.041480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.041480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.041480 (E_RNA) where: Base-Base interactions energy: -381.945 where: short stacking energy: -201.273 Base-Backbone interact. energy: 1.916 local terms energy: -256.012544 where: bonds (distance) C4'-P energy: -56.636 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -37.578 tors. eta vs tors. theta energy: -22.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -501.764062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.764062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.764062 (E_RNA) where: Base-Base interactions energy: -263.794 where: short stacking energy: -131.993 Base-Backbone interact. energy: 1.236 local terms energy: -239.206196 where: bonds (distance) C4'-P energy: -51.186 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -68.312 flat angles P-C4'-P energy: -32.309 tors. eta vs tors. theta energy: -23.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -422.983298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.983298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.983298 (E_RNA) where: Base-Base interactions energy: -196.202 where: short stacking energy: -99.061 Base-Backbone interact. energy: -0.766 local terms energy: -226.015453 where: bonds (distance) C4'-P energy: -66.781 bonds (distance) P-C4' energy: -69.178 flat angles C4'-P-C4' energy: -58.465 flat angles P-C4'-P energy: -29.018 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -284.404511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.404511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.404511 (E_RNA) where: Base-Base interactions energy: -111.893 where: short stacking energy: -96.282 Base-Backbone interact. energy: 6.366 local terms energy: -178.877592 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -54.014 flat angles C4'-P-C4' energy: -52.362 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -3.148 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: 1, replica: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1134.078862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.078862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.078862 (E_RNA) where: Base-Base interactions energy: -780.747 where: short stacking energy: -321.961 Base-Backbone interact. energy: -2.496 local terms energy: -350.835837 where: bonds (distance) C4'-P energy: -72.164 bonds (distance) P-C4' energy: -72.998 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -89.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1063.433046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.433046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.433046 (E_RNA) where: Base-Base interactions energy: -707.398 where: short stacking energy: -330.830 Base-Backbone interact. energy: -0.153 local terms energy: -355.881891 where: bonds (distance) C4'-P energy: -67.683 bonds (distance) P-C4' energy: -64.147 flat angles C4'-P-C4' energy: -80.819 flat angles P-C4'-P energy: -49.942 tors. eta vs tors. theta energy: -93.291 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: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1042.732288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.732288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.732288 (E_RNA) where: Base-Base interactions energy: -712.819 where: short stacking energy: -304.006 Base-Backbone interact. energy: 1.491 local terms energy: -331.404513 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -66.464 flat angles C4'-P-C4' energy: -78.097 flat angles P-C4'-P energy: -36.784 tors. eta vs tors. theta energy: -84.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -921.916007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.916007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.916007 (E_RNA) where: Base-Base interactions energy: -594.667 where: short stacking energy: -266.411 Base-Backbone interact. energy: 1.962 local terms energy: -329.210610 where: bonds (distance) C4'-P energy: -66.020 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -72.314 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: -72.135 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: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -877.142415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.142415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.142415 (E_RNA) where: Base-Base interactions energy: -586.609 where: short stacking energy: -275.730 Base-Backbone interact. energy: -1.216 local terms energy: -289.317374 where: bonds (distance) C4'-P energy: -56.151 bonds (distance) P-C4' energy: -56.736 flat angles C4'-P-C4' energy: -68.422 flat angles P-C4'-P energy: -34.947 tors. eta vs tors. theta energy: -73.061 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: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -769.981742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.981742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.981742 (E_RNA) where: Base-Base interactions energy: -493.857 where: short stacking energy: -224.004 Base-Backbone interact. energy: -0.308 local terms energy: -275.816937 where: bonds (distance) C4'-P energy: -63.711 bonds (distance) P-C4' energy: -51.105 flat angles C4'-P-C4' energy: -62.142 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -54.427 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: 7, replica: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -650.512775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.512775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.512775 (E_RNA) where: Base-Base interactions energy: -386.651 where: short stacking energy: -179.371 Base-Backbone interact. energy: -0.956 local terms energy: -262.905200 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -66.475 flat angles C4'-P-C4' energy: -50.168 flat angles P-C4'-P energy: -33.114 tors. eta vs tors. theta energy: -50.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -514.725196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.725196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.725196 (E_RNA) where: Base-Base interactions energy: -306.705 where: short stacking energy: -156.438 Base-Backbone interact. energy: 0.815 local terms energy: -208.834976 where: bonds (distance) C4'-P energy: -28.388 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -58.187 flat angles P-C4'-P energy: -29.389 tors. eta vs tors. theta energy: -25.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -410.172494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.172494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.172494 (E_RNA) where: Base-Base interactions energy: -207.235 where: short stacking energy: -121.385 Base-Backbone interact. energy: -0.307 local terms energy: -202.630861 where: bonds (distance) C4'-P energy: -57.339 bonds (distance) P-C4' energy: -54.574 flat angles C4'-P-C4' energy: -54.825 flat angles P-C4'-P energy: -26.263 tors. eta vs tors. theta energy: -9.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -280.165335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.165335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.165335 (E_RNA) where: Base-Base interactions energy: -88.960 where: short stacking energy: -78.457 Base-Backbone interact. energy: 1.298 local terms energy: -192.502540 where: bonds (distance) C4'-P energy: -57.992 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -44.646 flat angles P-C4'-P energy: -30.112 tors. eta vs tors. theta energy: 8.979 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: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1149.264114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.264114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.264114 (E_RNA) where: Base-Base interactions energy: -772.742 where: short stacking energy: -328.652 Base-Backbone interact. energy: -3.702 local terms energy: -372.819565 where: bonds (distance) C4'-P energy: -68.057 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -80.470 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -100.882 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: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1065.875134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.875134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.875134 (E_RNA) where: Base-Base interactions energy: -728.861 where: short stacking energy: -304.365 Base-Backbone interact. energy: -0.739 local terms energy: -336.275609 where: bonds (distance) C4'-P energy: -69.834 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -68.611 flat angles P-C4'-P energy: -56.469 tors. eta vs tors. theta energy: -75.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1045.091872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.091872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.091872 (E_RNA) where: Base-Base interactions energy: -686.069 where: short stacking energy: -324.971 Base-Backbone interact. energy: -3.236 local terms energy: -355.786902 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -67.163 flat angles C4'-P-C4' energy: -70.412 flat angles P-C4'-P energy: -55.881 tors. eta vs tors. theta energy: -95.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -902.295216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.295216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.295216 (E_RNA) where: Base-Base interactions energy: -617.972 where: short stacking energy: -272.755 Base-Backbone interact. energy: -0.386 local terms energy: -283.937678 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -51.260 flat angles C4'-P-C4' energy: -63.749 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -67.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -913.174127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.174127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.174127 (E_RNA) where: Base-Base interactions energy: -587.255 where: short stacking energy: -257.816 Base-Backbone interact. energy: -2.016 local terms energy: -323.903730 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -62.598 flat angles C4'-P-C4' energy: -76.655 flat angles P-C4'-P energy: -36.905 tors. eta vs tors. theta energy: -82.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -826.518643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.518643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.518643 (E_RNA) where: Base-Base interactions energy: -534.306 where: short stacking energy: -259.521 Base-Backbone interact. energy: -1.130 local terms energy: -291.083003 where: bonds (distance) C4'-P energy: -63.054 bonds (distance) P-C4' energy: -62.701 flat angles C4'-P-C4' energy: -55.685 flat angles P-C4'-P energy: -35.714 tors. eta vs tors. theta energy: -73.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -671.834854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.834854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.834854 (E_RNA) where: Base-Base interactions energy: -397.366 where: short stacking energy: -194.925 Base-Backbone interact. energy: -1.593 local terms energy: -272.875806 where: bonds (distance) C4'-P energy: -57.026 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -63.832 flat angles P-C4'-P energy: -40.041 tors. eta vs tors. theta energy: -44.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -458.861762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.861762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.861762 (E_RNA) where: Base-Base interactions energy: -230.984 where: short stacking energy: -146.660 Base-Backbone interact. energy: 0.378 local terms energy: -228.255095 where: bonds (distance) C4'-P energy: -50.739 bonds (distance) P-C4' energy: -61.468 flat angles C4'-P-C4' energy: -52.254 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -22.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -471.714953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.714953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.714953 (E_RNA) where: Base-Base interactions energy: -261.196 where: short stacking energy: -137.804 Base-Backbone interact. energy: -1.975 local terms energy: -208.543313 where: bonds (distance) C4'-P energy: -59.149 bonds (distance) P-C4' energy: -49.270 flat angles C4'-P-C4' energy: -46.763 flat angles P-C4'-P energy: -42.953 tors. eta vs tors. theta energy: -10.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -286.872315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.872315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.872315 (E_RNA) where: Base-Base interactions energy: -114.037 where: short stacking energy: -91.551 Base-Backbone interact. energy: -1.822 local terms energy: -171.012857 where: bonds (distance) C4'-P energy: -34.923 bonds (distance) P-C4' energy: -63.984 flat angles C4'-P-C4' energy: -57.297 flat angles P-C4'-P energy: -23.663 tors. eta vs tors. theta energy: 8.853 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: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1116.688129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.688129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.688129 (E_RNA) where: Base-Base interactions energy: -741.848 where: short stacking energy: -302.828 Base-Backbone interact. energy: 1.968 local terms energy: -376.807387 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -74.771 flat angles C4'-P-C4' energy: -76.519 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -94.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1033.954585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.954585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.954585 (E_RNA) where: Base-Base interactions energy: -695.053 where: short stacking energy: -301.079 Base-Backbone interact. energy: -3.778 local terms energy: -335.123429 where: bonds (distance) C4'-P energy: -67.221 bonds (distance) P-C4' energy: -60.302 flat angles C4'-P-C4' energy: -86.482 flat angles P-C4'-P energy: -43.409 tors. eta vs tors. theta energy: -77.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1064.918550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.918550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.918550 (E_RNA) where: Base-Base interactions energy: -710.800 where: short stacking energy: -342.651 Base-Backbone interact. energy: -2.198 local terms energy: -351.920975 where: bonds (distance) C4'-P energy: -63.077 bonds (distance) P-C4' energy: -79.912 flat angles C4'-P-C4' energy: -71.448 flat angles P-C4'-P energy: -42.361 tors. eta vs tors. theta energy: -95.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -917.229440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.229440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.229440 (E_RNA) where: Base-Base interactions energy: -617.631 where: short stacking energy: -261.289 Base-Backbone interact. energy: -1.293 local terms energy: -298.305036 where: bonds (distance) C4'-P energy: -51.010 bonds (distance) P-C4' energy: -70.017 flat angles C4'-P-C4' energy: -70.805 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -67.314 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: 9 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -844.871966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.871966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.871966 (E_RNA) where: Base-Base interactions energy: -531.032 where: short stacking energy: -257.011 Base-Backbone interact. energy: -0.715 local terms energy: -313.125313 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -62.191 flat angles C4'-P-C4' energy: -72.453 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -66.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -760.652834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.652834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.652834 (E_RNA) where: Base-Base interactions energy: -491.877 where: short stacking energy: -217.598 Base-Backbone interact. energy: 0.125 local terms energy: -268.900533 where: bonds (distance) C4'-P energy: -49.440 bonds (distance) P-C4' energy: -62.342 flat angles C4'-P-C4' energy: -71.145 flat angles P-C4'-P energy: -39.162 tors. eta vs tors. theta energy: -46.812 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: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -676.803315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.803315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.803315 (E_RNA) where: Base-Base interactions energy: -426.919 where: short stacking energy: -220.491 Base-Backbone interact. energy: -0.984 local terms energy: -248.899639 where: bonds (distance) C4'-P energy: -43.274 bonds (distance) P-C4' energy: -49.836 flat angles C4'-P-C4' energy: -61.467 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -49.420 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: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -481.764942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.764942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.764942 (E_RNA) where: Base-Base interactions energy: -258.432 where: short stacking energy: -154.235 Base-Backbone interact. energy: -1.109 local terms energy: -222.224761 where: bonds (distance) C4'-P energy: -53.538 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -56.345 flat angles P-C4'-P energy: -24.739 tors. eta vs tors. theta energy: -23.187 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: 4 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -467.637758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.637758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.637758 (E_RNA) where: Base-Base interactions energy: -270.212 where: short stacking energy: -131.430 Base-Backbone interact. energy: -0.989 local terms energy: -196.436406 where: bonds (distance) C4'-P energy: -50.685 bonds (distance) P-C4' energy: -46.537 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -37.032 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -301.081313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.081313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.081313 (E_RNA) where: Base-Base interactions energy: -97.802 where: short stacking energy: -95.134 Base-Backbone interact. energy: -0.535 local terms energy: -202.744138 where: bonds (distance) C4'-P energy: -54.373 bonds (distance) P-C4' energy: -52.978 flat angles C4'-P-C4' energy: -66.870 flat angles P-C4'-P energy: -29.711 tors. eta vs tors. theta energy: 1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1132.058407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.058407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.058407 (E_RNA) where: Base-Base interactions energy: -765.000 where: short stacking energy: -312.300 Base-Backbone interact. energy: -4.750 local terms energy: -362.307576 where: bonds (distance) C4'-P energy: -72.768 bonds (distance) P-C4' energy: -72.976 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -89.882 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: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1079.094686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.094686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.094686 (E_RNA) where: Base-Base interactions energy: -732.004 where: short stacking energy: -334.406 Base-Backbone interact. energy: -3.076 local terms energy: -344.014771 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -74.301 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -92.454 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: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1000.369179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.369179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.369179 (E_RNA) where: Base-Base interactions energy: -671.887 where: short stacking energy: -297.325 Base-Backbone interact. energy: -2.433 local terms energy: -326.048717 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -69.358 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: -75.572 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -927.095210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.095210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.095210 (E_RNA) where: Base-Base interactions energy: -601.803 where: short stacking energy: -272.448 Base-Backbone interact. energy: -1.399 local terms energy: -323.892734 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -64.568 flat angles C4'-P-C4' energy: -84.759 flat angles P-C4'-P energy: -36.192 tors. eta vs tors. theta energy: -81.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -836.072961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.072961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.072961 (E_RNA) where: Base-Base interactions energy: -551.986 where: short stacking energy: -244.730 Base-Backbone interact. energy: 0.125 local terms energy: -284.212292 where: bonds (distance) C4'-P energy: -66.672 bonds (distance) P-C4' energy: -55.605 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -50.848 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: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -774.042023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.042023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.042023 (E_RNA) where: Base-Base interactions energy: -489.943 where: short stacking energy: -228.326 Base-Backbone interact. energy: -0.426 local terms energy: -283.672741 where: bonds (distance) C4'-P energy: -65.689 bonds (distance) P-C4' energy: -62.862 flat angles C4'-P-C4' energy: -61.051 flat angles P-C4'-P energy: -32.929 tors. eta vs tors. theta energy: -61.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -709.152830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.152830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.152830 (E_RNA) where: Base-Base interactions energy: -454.071 where: short stacking energy: -201.716 Base-Backbone interact. energy: 1.286 local terms energy: -256.368041 where: bonds (distance) C4'-P energy: -55.224 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -69.007 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: -40.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -494.587102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.587102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.587102 (E_RNA) where: Base-Base interactions energy: -291.724 where: short stacking energy: -143.416 Base-Backbone interact. energy: -0.791 local terms energy: -202.071901 where: bonds (distance) C4'-P energy: -47.582 bonds (distance) P-C4' energy: -50.325 flat angles C4'-P-C4' energy: -55.150 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -9.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -463.290693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.290693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.290693 (E_RNA) where: Base-Base interactions energy: -270.924 where: short stacking energy: -156.630 Base-Backbone interact. energy: -0.334 local terms energy: -192.032454 where: bonds (distance) C4'-P energy: -48.645 bonds (distance) P-C4' energy: -61.659 flat angles C4'-P-C4' energy: -32.943 flat angles P-C4'-P energy: -31.839 tors. eta vs tors. theta energy: -16.945 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: 3 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -276.449028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.449028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.449028 (E_RNA) where: Base-Base interactions energy: -115.757 where: short stacking energy: -106.676 Base-Backbone interact. energy: -1.067 local terms energy: -159.625472 where: bonds (distance) C4'-P energy: -50.821 bonds (distance) P-C4' energy: -45.899 flat angles C4'-P-C4' energy: -37.993 flat angles P-C4'-P energy: -26.211 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: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1116.117125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.117125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.117125 (E_RNA) where: Base-Base interactions energy: -746.125 where: short stacking energy: -352.263 Base-Backbone interact. energy: -1.914 local terms energy: -368.078070 where: bonds (distance) C4'-P energy: -65.370 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -85.944 flat angles P-C4'-P energy: -49.495 tors. eta vs tors. theta energy: -97.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1093.277771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.277771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.277771 (E_RNA) where: Base-Base interactions energy: -756.224 where: short stacking energy: -320.947 Base-Backbone interact. energy: -2.276 local terms energy: -334.778311 where: bonds (distance) C4'-P energy: -63.781 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -77.939 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -80.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1011.116873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.116873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.116873 (E_RNA) where: Base-Base interactions energy: -679.144 where: short stacking energy: -295.779 Base-Backbone interact. energy: 1.175 local terms energy: -333.147717 where: bonds (distance) C4'-P energy: -68.043 bonds (distance) P-C4' energy: -59.818 flat angles C4'-P-C4' energy: -73.157 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -79.342 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: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -952.152317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.152317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.152317 (E_RNA) where: Base-Base interactions energy: -630.237 where: short stacking energy: -277.703 Base-Backbone interact. energy: -0.468 local terms energy: -321.446892 where: bonds (distance) C4'-P energy: -66.165 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -65.113 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: -79.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -829.088102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.088102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.088102 (E_RNA) where: Base-Base interactions energy: -520.794 where: short stacking energy: -238.633 Base-Backbone interact. energy: -0.957 local terms energy: -307.336722 where: bonds (distance) C4'-P energy: -69.513 bonds (distance) P-C4' energy: -57.666 flat angles C4'-P-C4' energy: -72.204 flat angles P-C4'-P energy: -47.763 tors. eta vs tors. theta energy: -60.190 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: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -758.270244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.270244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.270244 (E_RNA) where: Base-Base interactions energy: -475.352 where: short stacking energy: -248.472 Base-Backbone interact. energy: -0.717 local terms energy: -282.201238 where: bonds (distance) C4'-P energy: -54.997 bonds (distance) P-C4' energy: -61.224 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -28.578 tors. eta vs tors. theta energy: -66.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -741.097190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.097190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.097190 (E_RNA) where: Base-Base interactions energy: -477.998 where: short stacking energy: -225.018 Base-Backbone interact. energy: -1.223 local terms energy: -261.876314 where: bonds (distance) C4'-P energy: -59.402 bonds (distance) P-C4' energy: -55.640 flat angles C4'-P-C4' energy: -57.315 flat angles P-C4'-P energy: -26.457 tors. eta vs tors. theta energy: -63.063 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: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -501.692735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.692735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.692735 (E_RNA) where: Base-Base interactions energy: -287.707 where: short stacking energy: -146.910 Base-Backbone interact. energy: 0.002 local terms energy: -213.988330 where: bonds (distance) C4'-P energy: -52.865 bonds (distance) P-C4' energy: -60.750 flat angles C4'-P-C4' energy: -48.254 flat angles P-C4'-P energy: -30.541 tors. eta vs tors. theta energy: -21.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -470.773022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.773022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.773022 (E_RNA) where: Base-Base interactions energy: -238.477 where: short stacking energy: -118.888 Base-Backbone interact. energy: 0.584 local terms energy: -232.879712 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -75.822 flat angles C4'-P-C4' energy: -48.375 flat angles P-C4'-P energy: -40.586 tors. eta vs tors. theta energy: -13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -302.780204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.780204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.780204 (E_RNA) where: Base-Base interactions energy: -114.504 where: short stacking energy: -79.395 Base-Backbone interact. energy: 0.366 local terms energy: -188.642442 where: bonds (distance) C4'-P energy: -57.188 bonds (distance) P-C4' energy: -54.283 flat angles C4'-P-C4' energy: -43.385 flat angles P-C4'-P energy: -32.350 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1100.200483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.200483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.200483 (E_RNA) where: Base-Base interactions energy: -746.730 where: short stacking energy: -359.675 Base-Backbone interact. energy: -0.656 local terms energy: -352.815349 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -68.376 flat angles C4'-P-C4' energy: -74.709 flat angles P-C4'-P energy: -47.365 tors. eta vs tors. theta energy: -103.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1089.226039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.226039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.226039 (E_RNA) where: Base-Base interactions energy: -742.018 where: short stacking energy: -312.498 Base-Backbone interact. energy: -4.031 local terms energy: -343.176717 where: bonds (distance) C4'-P energy: -71.217 bonds (distance) P-C4' energy: -69.320 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -86.747 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: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1019.646042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.646042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.646042 (E_RNA) where: Base-Base interactions energy: -673.766 where: short stacking energy: -303.862 Base-Backbone interact. energy: -1.100 local terms energy: -344.780331 where: bonds (distance) C4'-P energy: -67.880 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -74.031 flat angles P-C4'-P energy: -53.580 tors. eta vs tors. theta energy: -79.891 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: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -951.337212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.337212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.337212 (E_RNA) where: Base-Base interactions energy: -619.161 where: short stacking energy: -259.691 Base-Backbone interact. energy: -2.545 local terms energy: -329.630420 where: bonds (distance) C4'-P energy: -64.546 bonds (distance) P-C4' energy: -73.174 flat angles C4'-P-C4' energy: -72.844 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -64.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -860.461925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.461925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.461925 (E_RNA) where: Base-Base interactions energy: -544.072 where: short stacking energy: -262.395 Base-Backbone interact. energy: -1.279 local terms energy: -315.111083 where: bonds (distance) C4'-P energy: -60.080 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -75.123 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: -69.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -788.758953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.758953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.758953 (E_RNA) where: Base-Base interactions energy: -518.094 where: short stacking energy: -235.920 Base-Backbone interact. energy: -0.988 local terms energy: -269.676300 where: bonds (distance) C4'-P energy: -60.499 bonds (distance) P-C4' energy: -52.276 flat angles C4'-P-C4' energy: -60.670 flat angles P-C4'-P energy: -43.103 tors. eta vs tors. theta energy: -53.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -728.987741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.987741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.987741 (E_RNA) where: Base-Base interactions energy: -433.171 where: short stacking energy: -199.006 Base-Backbone interact. energy: 0.895 local terms energy: -296.711760 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -67.816 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -53.499 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: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -564.639598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.639598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.639598 (E_RNA) where: Base-Base interactions energy: -315.200 where: short stacking energy: -172.875 Base-Backbone interact. energy: -0.918 local terms energy: -248.522074 where: bonds (distance) C4'-P energy: -61.899 bonds (distance) P-C4' energy: -58.548 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: -19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -486.986894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.986894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.986894 (E_RNA) where: Base-Base interactions energy: -269.957 where: short stacking energy: -149.695 Base-Backbone interact. energy: 1.746 local terms energy: -218.775952 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -56.770 flat angles C4'-P-C4' energy: -45.071 flat angles P-C4'-P energy: -26.748 tors. eta vs tors. theta energy: -33.892 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: 3 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -328.750188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.750188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.750188 (E_RNA) where: Base-Base interactions energy: -130.855 where: short stacking energy: -109.071 Base-Backbone interact. energy: 0.864 local terms energy: -198.758805 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -53.849 flat angles P-C4'-P energy: -21.471 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1113.084700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.084700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.084700 (E_RNA) where: Base-Base interactions energy: -743.140 where: short stacking energy: -317.472 Base-Backbone interact. energy: -2.209 local terms energy: -367.736318 where: bonds (distance) C4'-P energy: -66.259 bonds (distance) P-C4' energy: -75.073 flat angles C4'-P-C4' energy: -74.988 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -91.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1072.084763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.084763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.084763 (E_RNA) where: Base-Base interactions energy: -718.181 where: short stacking energy: -338.551 Base-Backbone interact. energy: -0.791 local terms energy: -353.113064 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -56.655 flat angles C4'-P-C4' energy: -71.393 flat angles P-C4'-P energy: -55.587 tors. eta vs tors. theta energy: -98.439 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: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1022.004279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.004279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.004279 (E_RNA) where: Base-Base interactions energy: -691.191 where: short stacking energy: -305.495 Base-Backbone interact. energy: -3.100 local terms energy: -327.713386 where: bonds (distance) C4'-P energy: -59.810 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -45.183 tors. eta vs tors. theta energy: -96.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -917.589664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.589664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.589664 (E_RNA) where: Base-Base interactions energy: -605.611 where: short stacking energy: -266.145 Base-Backbone interact. energy: -1.014 local terms energy: -310.964970 where: bonds (distance) C4'-P energy: -57.398 bonds (distance) P-C4' energy: -67.097 flat angles C4'-P-C4' energy: -70.111 flat angles P-C4'-P energy: -45.076 tors. eta vs tors. theta energy: -71.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -866.390607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.390607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.390607 (E_RNA) where: Base-Base interactions energy: -570.240 where: short stacking energy: -254.995 Base-Backbone interact. energy: -1.301 local terms energy: -294.849758 where: bonds (distance) C4'-P energy: -63.924 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -49.415 flat angles P-C4'-P energy: -52.548 tors. eta vs tors. theta energy: -62.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -764.641436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.641436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.641436 (E_RNA) where: Base-Base interactions energy: -500.705 where: short stacking energy: -220.803 Base-Backbone interact. energy: -0.476 local terms energy: -263.460290 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -57.166 flat angles P-C4'-P energy: -37.954 tors. eta vs tors. theta energy: -54.072 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: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -703.903187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.903187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.903187 (E_RNA) where: Base-Base interactions energy: -435.012 where: short stacking energy: -225.287 Base-Backbone interact. energy: 0.601 local terms energy: -269.491974 where: bonds (distance) C4'-P energy: -61.697 bonds (distance) P-C4' energy: -55.170 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -39.072 tors. eta vs tors. theta energy: -44.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -581.180755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.180755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.180755 (E_RNA) where: Base-Base interactions energy: -338.061 where: short stacking energy: -161.588 Base-Backbone interact. energy: 0.674 local terms energy: -243.794507 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -70.289 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -24.994 tors. eta vs tors. theta energy: -22.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -453.296383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.296383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.296383 (E_RNA) where: Base-Base interactions energy: -248.716 where: short stacking energy: -130.354 Base-Backbone interact. energy: -0.545 local terms energy: -204.035044 where: bonds (distance) C4'-P energy: -40.518 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -64.188 flat angles P-C4'-P energy: -28.759 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -289.031114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.031114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.031114 (E_RNA) where: Base-Base interactions energy: -106.183 where: short stacking energy: -84.694 Base-Backbone interact. energy: -3.123 local terms energy: -179.725521 where: bonds (distance) C4'-P energy: -53.856 bonds (distance) P-C4' energy: -50.795 flat angles C4'-P-C4' energy: -49.208 flat angles P-C4'-P energy: -29.245 tors. eta vs tors. theta energy: 3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1138.512465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.512465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.512465 (E_RNA) where: Base-Base interactions energy: -788.265 where: short stacking energy: -341.562 Base-Backbone interact. energy: 0.862 local terms energy: -351.110032 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -74.768 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -94.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1078.886122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.886122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.886122 (E_RNA) where: Base-Base interactions energy: -716.941 where: short stacking energy: -339.924 Base-Backbone interact. energy: -2.569 local terms energy: -359.375881 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -72.878 flat angles C4'-P-C4' energy: -66.160 flat angles P-C4'-P energy: -59.296 tors. eta vs tors. theta energy: -96.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1013.521125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.521125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.521125 (E_RNA) where: Base-Base interactions energy: -670.588 where: short stacking energy: -283.706 Base-Backbone interact. energy: -0.244 local terms energy: -342.688582 where: bonds (distance) C4'-P energy: -62.245 bonds (distance) P-C4' energy: -80.532 flat angles C4'-P-C4' energy: -69.098 flat angles P-C4'-P energy: -49.521 tors. eta vs tors. theta energy: -81.293 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: 4, replica: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -899.613849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.613849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.613849 (E_RNA) where: Base-Base interactions energy: -592.228 where: short stacking energy: -273.253 Base-Backbone interact. energy: -1.257 local terms energy: -306.129119 where: bonds (distance) C4'-P energy: -59.777 bonds (distance) P-C4' energy: -48.730 flat angles C4'-P-C4' energy: -64.850 flat angles P-C4'-P energy: -47.119 tors. eta vs tors. theta energy: -85.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -808.954121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.954121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.954121 (E_RNA) where: Base-Base interactions energy: -516.700 where: short stacking energy: -252.461 Base-Backbone interact. energy: 0.154 local terms energy: -292.408059 where: bonds (distance) C4'-P energy: -60.348 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -69.415 flat angles P-C4'-P energy: -36.291 tors. eta vs tors. theta energy: -62.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -807.967704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.967704 (E_RNA) where: Base-Base interactions energy: -535.288 where: short stacking energy: -223.091 Base-Backbone interact. energy: 0.269 local terms energy: -272.948479 where: bonds (distance) C4'-P energy: -42.728 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -67.558 flat angles P-C4'-P energy: -31.640 tors. eta vs tors. theta energy: -65.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -711.472495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.472495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.472495 (E_RNA) where: Base-Base interactions energy: -419.655 where: short stacking energy: -201.406 Base-Backbone interact. energy: -0.687 local terms energy: -291.130576 where: bonds (distance) C4'-P energy: -57.191 bonds (distance) P-C4' energy: -63.219 flat angles C4'-P-C4' energy: -65.585 flat angles P-C4'-P energy: -47.031 tors. eta vs tors. theta energy: -58.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -515.197481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.197481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.197481 (E_RNA) where: Base-Base interactions energy: -270.893 where: short stacking energy: -166.294 Base-Backbone interact. energy: 2.438 local terms energy: -246.742410 where: bonds (distance) C4'-P energy: -41.465 bonds (distance) P-C4' energy: -63.058 flat angles C4'-P-C4' energy: -61.412 flat angles P-C4'-P energy: -46.394 tors. eta vs tors. theta energy: -34.414 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: 9, replica: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -537.939572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.939572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.939572 (E_RNA) where: Base-Base interactions energy: -301.668 where: short stacking energy: -141.993 Base-Backbone interact. energy: 0.456 local terms energy: -236.727210 where: bonds (distance) C4'-P energy: -58.216 bonds (distance) P-C4' energy: -63.669 flat angles C4'-P-C4' energy: -43.217 flat angles P-C4'-P energy: -42.951 tors. eta vs tors. theta energy: -28.674 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: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -297.801704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.801704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.801704 (E_RNA) where: Base-Base interactions energy: -112.559 where: short stacking energy: -100.410 Base-Backbone interact. energy: 1.255 local terms energy: -186.497547 where: bonds (distance) C4'-P energy: -60.814 bonds (distance) P-C4' energy: -56.293 flat angles C4'-P-C4' energy: -41.907 flat angles P-C4'-P energy: -24.264 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: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1123.516964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.516964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.516964 (E_RNA) where: Base-Base interactions energy: -757.462 where: short stacking energy: -334.329 Base-Backbone interact. energy: -2.985 local terms energy: -363.069783 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -63.686 flat angles C4'-P-C4' energy: -75.894 flat angles P-C4'-P energy: -52.382 tors. eta vs tors. theta energy: -99.481 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: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1088.184108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.184108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.184108 (E_RNA) where: Base-Base interactions energy: -721.548 where: short stacking energy: -350.607 Base-Backbone interact. energy: -2.745 local terms energy: -363.890636 where: bonds (distance) C4'-P energy: -66.279 bonds (distance) P-C4' energy: -66.592 flat angles C4'-P-C4' energy: -70.995 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -107.872 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: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1005.981054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.981054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.981054 (E_RNA) where: Base-Base interactions energy: -662.338 where: short stacking energy: -283.832 Base-Backbone interact. energy: -0.636 local terms energy: -343.006897 where: bonds (distance) C4'-P energy: -67.713 bonds (distance) P-C4' energy: -64.498 flat angles C4'-P-C4' energy: -80.833 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -81.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -901.765331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.765331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.765331 (E_RNA) where: Base-Base interactions energy: -587.832 where: short stacking energy: -265.552 Base-Backbone interact. energy: 2.064 local terms energy: -315.997143 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -59.345 flat angles C4'-P-C4' energy: -64.852 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -72.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -837.663139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.663139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.663139 (E_RNA) where: Base-Base interactions energy: -537.816 where: short stacking energy: -255.851 Base-Backbone interact. energy: -0.978 local terms energy: -298.869251 where: bonds (distance) C4'-P energy: -58.711 bonds (distance) P-C4' energy: -66.608 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -33.881 tors. eta vs tors. theta energy: -64.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -831.568960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.568960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.568960 (E_RNA) where: Base-Base interactions energy: -536.617 where: short stacking energy: -229.214 Base-Backbone interact. energy: -1.335 local terms energy: -293.616722 where: bonds (distance) C4'-P energy: -44.963 bonds (distance) P-C4' energy: -72.969 flat angles C4'-P-C4' energy: -77.553 flat angles P-C4'-P energy: -40.443 tors. eta vs tors. theta energy: -57.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -719.660074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.660074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.660074 (E_RNA) where: Base-Base interactions energy: -435.639 where: short stacking energy: -211.541 Base-Backbone interact. energy: 2.348 local terms energy: -286.369543 where: bonds (distance) C4'-P energy: -57.875 bonds (distance) P-C4' energy: -63.291 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: -55.235 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: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -468.737610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.737610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.737610 (E_RNA) where: Base-Base interactions energy: -253.378 where: short stacking energy: -139.489 Base-Backbone interact. energy: 1.209 local terms energy: -216.569025 where: bonds (distance) C4'-P energy: -52.379 bonds (distance) P-C4' energy: -62.010 flat angles C4'-P-C4' energy: -66.083 flat angles P-C4'-P energy: -18.466 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -487.004923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.004923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.004923 (E_RNA) where: Base-Base interactions energy: -291.018 where: short stacking energy: -134.288 Base-Backbone interact. energy: -0.413 local terms energy: -195.574455 where: bonds (distance) C4'-P energy: -56.574 bonds (distance) P-C4' energy: -49.243 flat angles C4'-P-C4' energy: -44.240 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -8.573 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: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -312.243329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.243329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.243329 (E_RNA) where: Base-Base interactions energy: -113.520 where: short stacking energy: -92.153 Base-Backbone interact. energy: -1.053 local terms energy: -197.670069 where: bonds (distance) C4'-P energy: -46.504 bonds (distance) P-C4' energy: -65.039 flat angles C4'-P-C4' energy: -50.385 flat angles P-C4'-P energy: -34.608 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: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1131.865536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.865536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.865536 (E_RNA) where: Base-Base interactions energy: -773.297 where: short stacking energy: -325.995 Base-Backbone interact. energy: 0.789 local terms energy: -359.357230 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -74.476 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -56.262 tors. eta vs tors. theta energy: -92.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1078.829655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.829655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.829655 (E_RNA) where: Base-Base interactions energy: -706.338 where: short stacking energy: -327.483 Base-Backbone interact. energy: 1.243 local terms energy: -373.735077 where: bonds (distance) C4'-P energy: -72.782 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -75.526 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -101.364 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: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1001.828273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.828273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.828273 (E_RNA) where: Base-Base interactions energy: -651.051 where: short stacking energy: -284.206 Base-Backbone interact. energy: -1.137 local terms energy: -349.640006 where: bonds (distance) C4'-P energy: -78.505 bonds (distance) P-C4' energy: -69.535 flat angles C4'-P-C4' energy: -80.167 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -75.073 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: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -886.502627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.502627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.502627 (E_RNA) where: Base-Base interactions energy: -554.475 where: short stacking energy: -267.082 Base-Backbone interact. energy: -0.728 local terms energy: -331.299768 where: bonds (distance) C4'-P energy: -63.952 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -68.809 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -78.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -884.318832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.318832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.318832 (E_RNA) where: Base-Base interactions energy: -572.160 where: short stacking energy: -254.737 Base-Backbone interact. energy: -1.063 local terms energy: -311.096294 where: bonds (distance) C4'-P energy: -63.679 bonds (distance) P-C4' energy: -57.105 flat angles C4'-P-C4' energy: -70.851 flat angles P-C4'-P energy: -41.930 tors. eta vs tors. theta energy: -77.531 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: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -856.571711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.571711 (E_RNA) where: Base-Base interactions energy: -579.873 where: short stacking energy: -268.893 Base-Backbone interact. energy: -0.945 local terms energy: -275.753637 where: bonds (distance) C4'-P energy: -51.483 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -60.746 flat angles P-C4'-P energy: -40.817 tors. eta vs tors. theta energy: -68.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -679.877701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.877701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.877701 (E_RNA) where: Base-Base interactions energy: -430.479 where: short stacking energy: -206.775 Base-Backbone interact. energy: 0.024 local terms energy: -249.422203 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -50.101 flat angles C4'-P-C4' energy: -63.036 flat angles P-C4'-P energy: -29.056 tors. eta vs tors. theta energy: -41.600 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: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -537.166662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.166662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.166662 (E_RNA) where: Base-Base interactions energy: -296.131 where: short stacking energy: -154.804 Base-Backbone interact. energy: -1.598 local terms energy: -239.438037 where: bonds (distance) C4'-P energy: -60.069 bonds (distance) P-C4' energy: -68.220 flat angles C4'-P-C4' energy: -44.884 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -24.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -442.578028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.578028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.578028 (E_RNA) where: Base-Base interactions energy: -213.804 where: short stacking energy: -137.097 Base-Backbone interact. energy: -0.880 local terms energy: -227.893780 where: bonds (distance) C4'-P energy: -59.138 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -52.161 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: -13.105 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: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -275.831391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.831391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.831391 (E_RNA) where: Base-Base interactions energy: -107.940 where: short stacking energy: -79.716 Base-Backbone interact. energy: -1.058 local terms energy: -166.833553 where: bonds (distance) C4'-P energy: -40.397 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -53.545 flat angles P-C4'-P energy: -20.082 tors. eta vs tors. theta energy: 10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1127.737425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.737425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.737425 (E_RNA) where: Base-Base interactions energy: -771.984 where: short stacking energy: -333.746 Base-Backbone interact. energy: -2.276 local terms energy: -353.477896 where: bonds (distance) C4'-P energy: -67.073 bonds (distance) P-C4' energy: -61.830 flat angles C4'-P-C4' energy: -73.761 flat angles P-C4'-P energy: -54.379 tors. eta vs tors. theta energy: -96.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1075.262234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.262234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.262234 (E_RNA) where: Base-Base interactions energy: -702.549 where: short stacking energy: -351.724 Base-Backbone interact. energy: -2.483 local terms energy: -370.230441 where: bonds (distance) C4'-P energy: -73.835 bonds (distance) P-C4' energy: -65.186 flat angles C4'-P-C4' energy: -73.895 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -102.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1009.591859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.591859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.591859 (E_RNA) where: Base-Base interactions energy: -670.347 where: short stacking energy: -306.042 Base-Backbone interact. energy: -0.837 local terms energy: -338.407563 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -79.024 flat angles C4'-P-C4' energy: -68.224 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -82.597 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: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -895.096221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.096221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.096221 (E_RNA) where: Base-Base interactions energy: -572.906 where: short stacking energy: -260.791 Base-Backbone interact. energy: 0.594 local terms energy: -322.784105 where: bonds (distance) C4'-P energy: -62.594 bonds (distance) P-C4' energy: -64.293 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: -82.419 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: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -854.263720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.263720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.263720 (E_RNA) where: Base-Base interactions energy: -565.347 where: short stacking energy: -259.685 Base-Backbone interact. energy: -0.055 local terms energy: -288.862221 where: bonds (distance) C4'-P energy: -56.289 bonds (distance) P-C4' energy: -68.506 flat angles C4'-P-C4' energy: -60.539 flat angles P-C4'-P energy: -30.955 tors. eta vs tors. theta energy: -72.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -808.857353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.857353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.857353 (E_RNA) where: Base-Base interactions energy: -501.252 where: short stacking energy: -238.771 Base-Backbone interact. energy: -1.693 local terms energy: -305.912861 where: bonds (distance) C4'-P energy: -57.171 bonds (distance) P-C4' energy: -75.402 flat angles C4'-P-C4' energy: -65.636 flat angles P-C4'-P energy: -37.900 tors. eta vs tors. theta energy: -69.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -674.741669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.741669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.741669 (E_RNA) where: Base-Base interactions energy: -415.523 where: short stacking energy: -195.118 Base-Backbone interact. energy: -2.510 local terms energy: -256.708709 where: bonds (distance) C4'-P energy: -47.279 bonds (distance) P-C4' energy: -60.071 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -39.805 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: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -608.968802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.968802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.968802 (E_RNA) where: Base-Base interactions energy: -378.449 where: short stacking energy: -173.896 Base-Backbone interact. energy: -1.156 local terms energy: -229.364054 where: bonds (distance) C4'-P energy: -52.617 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -53.034 flat angles P-C4'-P energy: -36.446 tors. eta vs tors. theta energy: -27.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -404.876665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.876665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.876665 (E_RNA) where: Base-Base interactions energy: -217.267 where: short stacking energy: -128.266 Base-Backbone interact. energy: 3.934 local terms energy: -191.544199 where: bonds (distance) C4'-P energy: -48.154 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -57.195 flat angles P-C4'-P energy: -25.654 tors. eta vs tors. theta energy: 1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -276.365258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.365258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.365258 (E_RNA) where: Base-Base interactions energy: -98.600 where: short stacking energy: -81.565 Base-Backbone interact. energy: -1.097 local terms energy: -176.668372 where: bonds (distance) C4'-P energy: -59.797 bonds (distance) P-C4' energy: -59.620 flat angles C4'-P-C4' energy: -44.959 flat angles P-C4'-P energy: -23.149 tors. eta vs tors. theta energy: 10.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1119.605093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.605093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.605093 (E_RNA) where: Base-Base interactions energy: -777.907 where: short stacking energy: -312.847 Base-Backbone interact. energy: -3.412 local terms energy: -338.285918 where: bonds (distance) C4'-P energy: -52.766 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -75.366 flat angles P-C4'-P energy: -52.443 tors. eta vs tors. theta energy: -86.486 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: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1040.854031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.854031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.854031 (E_RNA) where: Base-Base interactions energy: -692.513 where: short stacking energy: -334.896 Base-Backbone interact. energy: -1.082 local terms energy: -347.258839 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -56.350 flat angles C4'-P-C4' energy: -79.082 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: -101.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1007.103894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.103894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.103894 (E_RNA) where: Base-Base interactions energy: -673.793 where: short stacking energy: -295.710 Base-Backbone interact. energy: -1.124 local terms energy: -332.186894 where: bonds (distance) C4'-P energy: -53.891 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -77.997 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -80.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -925.202183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.202183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.202183 (E_RNA) where: Base-Base interactions energy: -618.601 where: short stacking energy: -293.060 Base-Backbone interact. energy: -0.851 local terms energy: -305.749831 where: bonds (distance) C4'-P energy: -58.087 bonds (distance) P-C4' energy: -67.624 flat angles C4'-P-C4' energy: -60.707 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -78.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -853.092452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.092452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.092452 (E_RNA) where: Base-Base interactions energy: -557.536 where: short stacking energy: -245.676 Base-Backbone interact. energy: -1.409 local terms energy: -294.147610 where: bonds (distance) C4'-P energy: -57.453 bonds (distance) P-C4' energy: -73.146 flat angles C4'-P-C4' energy: -49.668 flat angles P-C4'-P energy: -42.075 tors. eta vs tors. theta energy: -71.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -827.920773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.920773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.920773 (E_RNA) where: Base-Base interactions energy: -548.007 where: short stacking energy: -251.275 Base-Backbone interact. energy: -1.209 local terms energy: -278.703940 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -63.088 flat angles C4'-P-C4' energy: -68.436 flat angles P-C4'-P energy: -29.445 tors. eta vs tors. theta energy: -66.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -669.824402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.824402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.824402 (E_RNA) where: Base-Base interactions energy: -418.985 where: short stacking energy: -210.496 Base-Backbone interact. energy: -1.904 local terms energy: -248.936104 where: bonds (distance) C4'-P energy: -49.139 bonds (distance) P-C4' energy: -62.130 flat angles C4'-P-C4' energy: -52.308 flat angles P-C4'-P energy: -39.384 tors. eta vs tors. theta energy: -45.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -612.676137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.676137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.676137 (E_RNA) where: Base-Base interactions energy: -361.458 where: short stacking energy: -182.721 Base-Backbone interact. energy: -2.117 local terms energy: -249.100892 where: bonds (distance) C4'-P energy: -62.631 bonds (distance) P-C4' energy: -50.782 flat angles C4'-P-C4' energy: -56.346 flat angles P-C4'-P energy: -48.778 tors. eta vs tors. theta energy: -30.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -398.080047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.080047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.080047 (E_RNA) where: Base-Base interactions energy: -180.711 where: short stacking energy: -117.618 Base-Backbone interact. energy: -0.593 local terms energy: -216.775928 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -54.256 flat angles P-C4'-P energy: -29.581 tors. eta vs tors. theta energy: -9.249 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: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -287.936302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.936302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.936302 (E_RNA) where: Base-Base interactions energy: -97.480 where: short stacking energy: -73.087 Base-Backbone interact. energy: 2.637 local terms energy: -193.093826 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -45.168 flat angles P-C4'-P energy: -31.073 tors. eta vs tors. theta energy: 12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1122.210957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.210957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.210957 (E_RNA) where: Base-Base interactions energy: -764.340 where: short stacking energy: -320.278 Base-Backbone interact. energy: -2.206 local terms energy: -355.665324 where: bonds (distance) C4'-P energy: -65.717 bonds (distance) P-C4' energy: -71.217 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -87.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1067.434455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.434455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.434455 (E_RNA) where: Base-Base interactions energy: -716.361 where: short stacking energy: -341.299 Base-Backbone interact. energy: -2.329 local terms energy: -348.744107 where: bonds (distance) C4'-P energy: -69.357 bonds (distance) P-C4' energy: -55.494 flat angles C4'-P-C4' energy: -81.945 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -95.164 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -988.983331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.983331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.983331 (E_RNA) where: Base-Base interactions energy: -675.834 where: short stacking energy: -292.364 Base-Backbone interact. energy: -0.581 local terms energy: -312.568245 where: bonds (distance) C4'-P energy: -65.457 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -73.632 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -72.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -921.742575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.742575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.742575 (E_RNA) where: Base-Base interactions energy: -599.290 where: short stacking energy: -282.815 Base-Backbone interact. energy: -1.457 local terms energy: -320.995775 where: bonds (distance) C4'-P energy: -67.555 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -69.165 flat angles P-C4'-P energy: -41.059 tors. eta vs tors. theta energy: -73.449 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: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -906.091707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.091707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.091707 (E_RNA) where: Base-Base interactions energy: -593.125 where: short stacking energy: -273.719 Base-Backbone interact. energy: -0.463 local terms energy: -312.503566 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -65.631 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -43.498 tors. eta vs tors. theta energy: -61.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -831.450169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.450169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.450169 (E_RNA) where: Base-Base interactions energy: -553.762 where: short stacking energy: -247.606 Base-Backbone interact. energy: -1.742 local terms energy: -275.946600 where: bonds (distance) C4'-P energy: -57.879 bonds (distance) P-C4' energy: -48.008 flat angles C4'-P-C4' energy: -64.030 flat angles P-C4'-P energy: -29.512 tors. eta vs tors. theta energy: -76.517 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: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -645.065351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.065351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.065351 (E_RNA) where: Base-Base interactions energy: -407.750 where: short stacking energy: -188.854 Base-Backbone interact. energy: 1.738 local terms energy: -239.052494 where: bonds (distance) C4'-P energy: -56.757 bonds (distance) P-C4' energy: -63.731 flat angles C4'-P-C4' energy: -54.811 flat angles P-C4'-P energy: -24.182 tors. eta vs tors. theta energy: -39.571 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: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -581.695366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.695366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.695366 (E_RNA) where: Base-Base interactions energy: -347.837 where: short stacking energy: -171.349 Base-Backbone interact. energy: -0.230 local terms energy: -233.628614 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -47.276 flat angles P-C4'-P energy: -30.720 tors. eta vs tors. theta energy: -23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -393.436726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.436726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.436726 (E_RNA) where: Base-Base interactions energy: -165.874 where: short stacking energy: -99.007 Base-Backbone interact. energy: 0.466 local terms energy: -228.028127 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -55.476 flat angles C4'-P-C4' energy: -62.054 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -9.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -306.843336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.843336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.843336 (E_RNA) where: Base-Base interactions energy: -104.910 where: short stacking energy: -74.186 Base-Backbone interact. energy: -1.956 local terms energy: -199.977090 where: bonds (distance) C4'-P energy: -67.849 bonds (distance) P-C4' energy: -48.789 flat angles C4'-P-C4' energy: -54.675 flat angles P-C4'-P energy: -37.778 tors. eta vs tors. theta energy: 9.113 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: 227 Temperature: 0.900000 Total energy: -1106.247353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.247353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.247353 (E_RNA) where: Base-Base interactions energy: -756.378 where: short stacking energy: -315.437 Base-Backbone interact. energy: -3.174 local terms energy: -346.695574 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -67.776 flat angles C4'-P-C4' energy: -80.087 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: -87.833 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: 2 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1073.442105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.442105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.442105 (E_RNA) where: Base-Base interactions energy: -715.658 where: short stacking energy: -314.338 Base-Backbone interact. energy: -1.032 local terms energy: -356.752747 where: bonds (distance) C4'-P energy: -71.326 bonds (distance) P-C4' energy: -68.521 flat angles C4'-P-C4' energy: -79.712 flat angles P-C4'-P energy: -41.422 tors. eta vs tors. theta energy: -95.771 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -998.532185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.532185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.532185 (E_RNA) where: Base-Base interactions energy: -680.234 where: short stacking energy: -287.351 Base-Backbone interact. energy: -0.955 local terms energy: -317.343715 where: bonds (distance) C4'-P energy: -52.632 bonds (distance) P-C4' energy: -70.871 flat angles C4'-P-C4' energy: -68.989 flat angles P-C4'-P energy: -43.441 tors. eta vs tors. theta energy: -81.411 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: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -918.595573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.595573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.595573 (E_RNA) where: Base-Base interactions energy: -602.474 where: short stacking energy: -276.086 Base-Backbone interact. energy: -1.974 local terms energy: -314.147951 where: bonds (distance) C4'-P energy: -61.769 bonds (distance) P-C4' energy: -63.592 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: -75.701 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: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -867.578755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.578755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.578755 (E_RNA) where: Base-Base interactions energy: -571.870 where: short stacking energy: -252.062 Base-Backbone interact. energy: -0.521 local terms energy: -295.188386 where: bonds (distance) C4'-P energy: -57.748 bonds (distance) P-C4' energy: -66.784 flat angles C4'-P-C4' energy: -69.080 flat angles P-C4'-P energy: -33.300 tors. eta vs tors. theta energy: -68.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -813.686485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.686485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.686485 (E_RNA) where: Base-Base interactions energy: -524.024 where: short stacking energy: -254.218 Base-Backbone interact. energy: 0.394 local terms energy: -290.056951 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -51.198 flat angles C4'-P-C4' energy: -74.479 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -60.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -737.641351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.641351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.641351 (E_RNA) where: Base-Base interactions energy: -462.636 where: short stacking energy: -219.593 Base-Backbone interact. energy: -1.998 local terms energy: -273.007218 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -68.118 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: -56.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -550.667114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.667114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.667114 (E_RNA) where: Base-Base interactions energy: -301.917 where: short stacking energy: -156.862 Base-Backbone interact. energy: -0.484 local terms energy: -248.266353 where: bonds (distance) C4'-P energy: -64.887 bonds (distance) P-C4' energy: -52.933 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -34.160 tors. eta vs tors. theta energy: -33.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -392.763465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.763465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.763465 (E_RNA) where: Base-Base interactions energy: -186.688 where: short stacking energy: -105.180 Base-Backbone interact. energy: -1.324 local terms energy: -204.752090 where: bonds (distance) C4'-P energy: -51.210 bonds (distance) P-C4' energy: -68.092 flat angles C4'-P-C4' energy: -58.299 flat angles P-C4'-P energy: -26.319 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -287.160639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.160639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.160639 (E_RNA) where: Base-Base interactions energy: -98.447 where: short stacking energy: -63.909 Base-Backbone interact. energy: 1.098 local terms energy: -189.811448 where: bonds (distance) C4'-P energy: -61.177 bonds (distance) P-C4' energy: -59.180 flat angles C4'-P-C4' energy: -53.883 flat angles P-C4'-P energy: -23.290 tors. eta vs tors. theta energy: 7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1119.876774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.876774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.876774 (E_RNA) where: Base-Base interactions energy: -756.692 where: short stacking energy: -336.002 Base-Backbone interact. energy: -3.540 local terms energy: -359.644670 where: bonds (distance) C4'-P energy: -63.990 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -101.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1086.144048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.144048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.144048 (E_RNA) where: Base-Base interactions energy: -728.590 where: short stacking energy: -331.458 Base-Backbone interact. energy: 0.069 local terms energy: -357.622470 where: bonds (distance) C4'-P energy: -76.092 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -78.810 flat angles P-C4'-P energy: -53.747 tors. eta vs tors. theta energy: -91.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1007.819752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.819752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.819752 (E_RNA) where: Base-Base interactions energy: -685.088 where: short stacking energy: -292.005 Base-Backbone interact. energy: -1.137 local terms energy: -321.594751 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -75.188 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -82.647 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: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -904.373417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.373417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.373417 (E_RNA) where: Base-Base interactions energy: -573.197 where: short stacking energy: -280.006 Base-Backbone interact. energy: -1.291 local terms energy: -329.885785 where: bonds (distance) C4'-P energy: -75.515 bonds (distance) P-C4' energy: -66.489 flat angles C4'-P-C4' energy: -67.939 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -71.263 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: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -843.080881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.080881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.080881 (E_RNA) where: Base-Base interactions energy: -545.053 where: short stacking energy: -238.647 Base-Backbone interact. energy: -1.205 local terms energy: -296.823523 where: bonds (distance) C4'-P energy: -64.558 bonds (distance) P-C4' energy: -66.913 flat angles C4'-P-C4' energy: -62.262 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -57.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -815.385003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.385003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.385003 (E_RNA) where: Base-Base interactions energy: -523.507 where: short stacking energy: -241.900 Base-Backbone interact. energy: -0.945 local terms energy: -290.933014 where: bonds (distance) C4'-P energy: -53.721 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -65.043 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: -60.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -717.377858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.377858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.377858 (E_RNA) where: Base-Base interactions energy: -434.113 where: short stacking energy: -208.201 Base-Backbone interact. energy: -1.082 local terms energy: -282.182898 where: bonds (distance) C4'-P energy: -58.817 bonds (distance) P-C4' energy: -60.078 flat angles C4'-P-C4' energy: -75.728 flat angles P-C4'-P energy: -38.827 tors. eta vs tors. theta energy: -48.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -560.225293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.225293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.225293 (E_RNA) where: Base-Base interactions energy: -334.883 where: short stacking energy: -164.714 Base-Backbone interact. energy: -1.590 local terms energy: -223.751681 where: bonds (distance) C4'-P energy: -62.725 bonds (distance) P-C4' energy: -48.462 flat angles C4'-P-C4' energy: -59.740 flat angles P-C4'-P energy: -23.727 tors. eta vs tors. theta energy: -29.097 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -398.642639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.642639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.642639 (E_RNA) where: Base-Base interactions energy: -199.539 where: short stacking energy: -113.615 Base-Backbone interact. energy: 1.141 local terms energy: -200.244456 where: bonds (distance) C4'-P energy: -57.654 bonds (distance) P-C4' energy: -59.524 flat angles C4'-P-C4' energy: -55.690 flat angles P-C4'-P energy: -24.484 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -334.291580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.291580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.291580 (E_RNA) where: Base-Base interactions energy: -132.755 where: short stacking energy: -66.296 Base-Backbone interact. energy: -1.617 local terms energy: -199.919073 where: bonds (distance) C4'-P energy: -53.403 bonds (distance) P-C4' energy: -68.560 flat angles C4'-P-C4' energy: -52.547 flat angles P-C4'-P energy: -31.968 tors. eta vs tors. theta energy: 6.558 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: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1141.052155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.052155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.052155 (E_RNA) where: Base-Base interactions energy: -787.662 where: short stacking energy: -348.180 Base-Backbone interact. energy: -2.954 local terms energy: -350.436727 where: bonds (distance) C4'-P energy: -61.432 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -80.644 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: -96.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1071.683201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.683201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.683201 (E_RNA) where: Base-Base interactions energy: -719.532 where: short stacking energy: -332.992 Base-Backbone interact. energy: 0.845 local terms energy: -352.995918 where: bonds (distance) C4'-P energy: -67.308 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -90.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1010.884726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.884726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.884726 (E_RNA) where: Base-Base interactions energy: -673.468 where: short stacking energy: -304.248 Base-Backbone interact. energy: -1.646 local terms energy: -335.770843 where: bonds (distance) C4'-P energy: -68.200 bonds (distance) P-C4' energy: -68.147 flat angles C4'-P-C4' energy: -81.135 flat angles P-C4'-P energy: -37.173 tors. eta vs tors. theta energy: -81.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -920.499985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.499985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.499985 (E_RNA) where: Base-Base interactions energy: -600.681 where: short stacking energy: -286.623 Base-Backbone interact. energy: -0.977 local terms energy: -318.842064 where: bonds (distance) C4'-P energy: -60.535 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -73.227 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -81.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -826.632658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.632658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.632658 (E_RNA) where: Base-Base interactions energy: -523.225 where: short stacking energy: -241.943 Base-Backbone interact. energy: 1.177 local terms energy: -304.584973 where: bonds (distance) C4'-P energy: -67.645 bonds (distance) P-C4' energy: -60.638 flat angles C4'-P-C4' energy: -71.881 flat angles P-C4'-P energy: -35.718 tors. eta vs tors. theta energy: -68.703 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -813.836584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.836584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.836584 (E_RNA) where: Base-Base interactions energy: -522.072 where: short stacking energy: -233.963 Base-Backbone interact. energy: 1.410 local terms energy: -293.175167 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -68.145 flat angles C4'-P-C4' energy: -70.032 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -57.955 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: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -752.160404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.160404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.160404 (E_RNA) where: Base-Base interactions energy: -478.975 where: short stacking energy: -228.370 Base-Backbone interact. energy: 0.455 local terms energy: -273.640860 where: bonds (distance) C4'-P energy: -49.947 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -54.371 flat angles P-C4'-P energy: -48.415 tors. eta vs tors. theta energy: -63.530 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: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -563.027456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.027456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.027456 (E_RNA) where: Base-Base interactions energy: -347.861 where: short stacking energy: -177.204 Base-Backbone interact. energy: 1.452 local terms energy: -216.618231 where: bonds (distance) C4'-P energy: -51.412 bonds (distance) P-C4' energy: -54.333 flat angles C4'-P-C4' energy: -53.003 flat angles P-C4'-P energy: -34.312 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: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -366.741334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.741334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.741334 (E_RNA) where: Base-Base interactions energy: -159.421 where: short stacking energy: -99.433 Base-Backbone interact. energy: 2.551 local terms energy: -209.871307 where: bonds (distance) C4'-P energy: -66.266 bonds (distance) P-C4' energy: -62.768 flat angles C4'-P-C4' energy: -43.533 flat angles P-C4'-P energy: -31.593 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -312.584243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.584243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.584243 (E_RNA) where: Base-Base interactions energy: -125.610 where: short stacking energy: -105.783 Base-Backbone interact. energy: -0.960 local terms energy: -186.014120 where: bonds (distance) C4'-P energy: -51.871 bonds (distance) P-C4' energy: -62.714 flat angles C4'-P-C4' energy: -57.201 flat angles P-C4'-P energy: -14.049 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1141.322131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.322131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.322131 (E_RNA) where: Base-Base interactions energy: -778.530 where: short stacking energy: -342.759 Base-Backbone interact. energy: -1.534 local terms energy: -361.257724 where: bonds (distance) C4'-P energy: -61.013 bonds (distance) P-C4' energy: -68.069 flat angles C4'-P-C4' energy: -79.290 flat angles P-C4'-P energy: -49.011 tors. eta vs tors. theta energy: -103.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1067.220353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.220353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.220353 (E_RNA) where: Base-Base interactions energy: -704.541 where: short stacking energy: -343.263 Base-Backbone interact. energy: -0.761 local terms energy: -361.917802 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -72.788 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -50.291 tors. eta vs tors. theta energy: -102.175 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: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1018.985229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.985229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.985229 (E_RNA) where: Base-Base interactions energy: -693.236 where: short stacking energy: -309.296 Base-Backbone interact. energy: -1.100 local terms energy: -324.649052 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -76.326 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -84.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -929.046972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.046972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.046972 (E_RNA) where: Base-Base interactions energy: -603.543 where: short stacking energy: -287.340 Base-Backbone interact. energy: 2.624 local terms energy: -328.128142 where: bonds (distance) C4'-P energy: -58.466 bonds (distance) P-C4' energy: -63.352 flat angles C4'-P-C4' energy: -74.280 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: -84.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -847.141940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.141940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.141940 (E_RNA) where: Base-Base interactions energy: -539.499 where: short stacking energy: -257.956 Base-Backbone interact. energy: -1.506 local terms energy: -306.135957 where: bonds (distance) C4'-P energy: -64.166 bonds (distance) P-C4' energy: -59.993 flat angles C4'-P-C4' energy: -71.868 flat angles P-C4'-P energy: -39.984 tors. eta vs tors. theta energy: -70.125 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: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -798.830832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.830832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.830832 (E_RNA) where: Base-Base interactions energy: -507.830 where: short stacking energy: -232.654 Base-Backbone interact. energy: -0.919 local terms energy: -290.082225 where: bonds (distance) C4'-P energy: -67.620 bonds (distance) P-C4' energy: -51.470 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: -47.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -727.518678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.518678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.518678 (E_RNA) where: Base-Base interactions energy: -457.660 where: short stacking energy: -218.409 Base-Backbone interact. energy: -1.360 local terms energy: -268.498692 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -53.206 flat angles C4'-P-C4' energy: -65.570 flat angles P-C4'-P energy: -33.992 tors. eta vs tors. theta energy: -56.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -615.321591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.321591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.321591 (E_RNA) where: Base-Base interactions energy: -366.641 where: short stacking energy: -190.153 Base-Backbone interact. energy: -1.009 local terms energy: -247.671560 where: bonds (distance) C4'-P energy: -50.300 bonds (distance) P-C4' energy: -56.512 flat angles C4'-P-C4' energy: -72.895 flat angles P-C4'-P energy: -38.608 tors. eta vs tors. theta energy: -29.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -288.842848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.842848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.842848 (E_RNA) where: Base-Base interactions energy: -94.921 where: short stacking energy: -78.061 Base-Backbone interact. energy: -1.924 local terms energy: -191.997536 where: bonds (distance) C4'-P energy: -50.513 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -47.474 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: 9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -368.141647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.141647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.141647 (E_RNA) where: Base-Base interactions energy: -190.864 where: short stacking energy: -122.432 Base-Backbone interact. energy: 0.339 local terms energy: -177.617082 where: bonds (distance) C4'-P energy: -59.187 bonds (distance) P-C4' energy: -51.232 flat angles C4'-P-C4' energy: -40.103 flat angles P-C4'-P energy: -20.027 tors. eta vs tors. theta energy: -7.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1137.276966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.276966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.276966 (E_RNA) where: Base-Base interactions energy: -782.010 where: short stacking energy: -330.236 Base-Backbone interact. energy: 2.208 local terms energy: -357.475332 where: bonds (distance) C4'-P energy: -69.859 bonds (distance) P-C4' energy: -76.910 flat angles C4'-P-C4' energy: -77.878 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -92.719 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: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1098.640094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.640094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.640094 (E_RNA) where: Base-Base interactions energy: -730.375 where: short stacking energy: -338.254 Base-Backbone interact. energy: 0.455 local terms energy: -368.719879 where: bonds (distance) C4'-P energy: -71.699 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -47.791 tors. eta vs tors. theta energy: -97.981 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1003.949505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.949505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.949505 (E_RNA) where: Base-Base interactions energy: -662.957 where: short stacking energy: -303.440 Base-Backbone interact. energy: 0.109 local terms energy: -341.101817 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -71.566 flat angles C4'-P-C4' energy: -69.436 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -78.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -919.797570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.797570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.797570 (E_RNA) where: Base-Base interactions energy: -609.743 where: short stacking energy: -286.141 Base-Backbone interact. energy: -1.726 local terms energy: -308.327976 where: bonds (distance) C4'-P energy: -54.338 bonds (distance) P-C4' energy: -69.203 flat angles C4'-P-C4' energy: -63.965 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -73.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -837.612506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.612506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.612506 (E_RNA) where: Base-Base interactions energy: -517.597 where: short stacking energy: -267.465 Base-Backbone interact. energy: 0.488 local terms energy: -320.503846 where: bonds (distance) C4'-P energy: -58.035 bonds (distance) P-C4' energy: -73.172 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -46.336 tors. eta vs tors. theta energy: -78.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -797.475121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.475121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.475121 (E_RNA) where: Base-Base interactions energy: -505.595 where: short stacking energy: -245.582 Base-Backbone interact. energy: -0.765 local terms energy: -291.114867 where: bonds (distance) C4'-P energy: -54.830 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -64.661 flat angles P-C4'-P energy: -37.346 tors. eta vs tors. theta energy: -73.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -685.142924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.142924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.142924 (E_RNA) where: Base-Base interactions energy: -416.809 where: short stacking energy: -196.078 Base-Backbone interact. energy: -1.066 local terms energy: -267.267757 where: bonds (distance) C4'-P energy: -61.742 bonds (distance) P-C4' energy: -64.217 flat angles C4'-P-C4' energy: -62.095 flat angles P-C4'-P energy: -35.155 tors. eta vs tors. theta energy: -44.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -600.527871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.527871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.527871 (E_RNA) where: Base-Base interactions energy: -372.353 where: short stacking energy: -184.071 Base-Backbone interact. energy: 3.107 local terms energy: -231.281986 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -55.198 flat angles P-C4'-P energy: -18.942 tors. eta vs tors. theta energy: -36.588 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: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -311.736995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.736995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.736995 (E_RNA) where: Base-Base interactions energy: -130.937 where: short stacking energy: -100.167 Base-Backbone interact. energy: 0.729 local terms energy: -181.529114 where: bonds (distance) C4'-P energy: -48.505 bonds (distance) P-C4' energy: -48.601 flat angles C4'-P-C4' energy: -46.274 flat angles P-C4'-P energy: -23.754 tors. eta vs tors. theta energy: -14.395 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: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -336.679244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.679244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.679244 (E_RNA) where: Base-Base interactions energy: -150.372 where: short stacking energy: -80.865 Base-Backbone interact. energy: 3.668 local terms energy: -189.975686 where: bonds (distance) C4'-P energy: -62.625 bonds (distance) P-C4' energy: -49.112 flat angles C4'-P-C4' energy: -58.871 flat angles P-C4'-P energy: -22.250 tors. eta vs tors. theta energy: 2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1130.320569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.320569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.320569 (E_RNA) where: Base-Base interactions energy: -764.912 where: short stacking energy: -327.496 Base-Backbone interact. energy: -1.433 local terms energy: -363.975552 where: bonds (distance) C4'-P energy: -65.178 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -82.771 flat angles P-C4'-P energy: -53.098 tors. eta vs tors. theta energy: -94.980 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: 232 Temperature: 0.950000 Total energy: -1085.290912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.290912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.290912 (E_RNA) where: Base-Base interactions energy: -721.855 where: short stacking energy: -344.836 Base-Backbone interact. energy: -2.845 local terms energy: -360.591261 where: bonds (distance) C4'-P energy: -68.542 bonds (distance) P-C4' energy: -70.837 flat angles C4'-P-C4' energy: -74.624 flat angles P-C4'-P energy: -41.598 tors. eta vs tors. theta energy: -104.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1004.193485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.193485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.193485 (E_RNA) where: Base-Base interactions energy: -671.284 where: short stacking energy: -299.105 Base-Backbone interact. energy: -1.500 local terms energy: -331.409994 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -68.821 flat angles C4'-P-C4' energy: -75.789 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -76.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -922.069096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.069096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.069096 (E_RNA) where: Base-Base interactions energy: -588.743 where: short stacking energy: -274.165 Base-Backbone interact. energy: -1.030 local terms energy: -332.296304 where: bonds (distance) C4'-P energy: -66.302 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -71.729 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: -75.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -838.349564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.349564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.349564 (E_RNA) where: Base-Base interactions energy: -542.066 where: short stacking energy: -251.427 Base-Backbone interact. energy: -2.200 local terms energy: -294.084226 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -63.369 flat angles P-C4'-P energy: -50.933 tors. eta vs tors. theta energy: -59.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -780.820887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.820887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.820887 (E_RNA) where: Base-Base interactions energy: -493.963 where: short stacking energy: -254.308 Base-Backbone interact. energy: -1.393 local terms energy: -285.465530 where: bonds (distance) C4'-P energy: -49.823 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -71.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -695.356646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.356646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.356646 (E_RNA) where: Base-Base interactions energy: -418.188 where: short stacking energy: -214.338 Base-Backbone interact. energy: -1.935 local terms energy: -275.233571 where: bonds (distance) C4'-P energy: -54.921 bonds (distance) P-C4' energy: -57.370 flat angles C4'-P-C4' energy: -70.323 flat angles P-C4'-P energy: -34.921 tors. eta vs tors. theta energy: -57.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -601.214376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.214376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.214376 (E_RNA) where: Base-Base interactions energy: -376.057 where: short stacking energy: -167.416 Base-Backbone interact. energy: -0.454 local terms energy: -224.703542 where: bonds (distance) C4'-P energy: -51.456 bonds (distance) P-C4' energy: -58.477 flat angles C4'-P-C4' energy: -60.767 flat angles P-C4'-P energy: -34.138 tors. eta vs tors. theta energy: -19.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -324.872833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.872833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.872833 (E_RNA) where: Base-Base interactions energy: -120.655 where: short stacking energy: -112.828 Base-Backbone interact. energy: 2.871 local terms energy: -207.088572 where: bonds (distance) C4'-P energy: -63.392 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -51.164 flat angles P-C4'-P energy: -32.503 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -274.508090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.508090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.508090 (E_RNA) where: Base-Base interactions energy: -95.423 where: short stacking energy: -72.731 Base-Backbone interact. energy: 5.618 local terms energy: -184.703225 where: bonds (distance) C4'-P energy: -55.822 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -41.669 flat angles P-C4'-P energy: -34.774 tors. eta vs tors. theta energy: 10.903 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: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1137.371549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.371549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.371549 (E_RNA) where: Base-Base interactions energy: -774.541 where: short stacking energy: -353.419 Base-Backbone interact. energy: 2.514 local terms energy: -365.344499 where: bonds (distance) C4'-P energy: -70.290 bonds (distance) P-C4' energy: -68.815 flat angles C4'-P-C4' energy: -77.265 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: -98.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1091.571142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.571142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.571142 (E_RNA) where: Base-Base interactions energy: -725.934 where: short stacking energy: -353.742 Base-Backbone interact. energy: -0.341 local terms energy: -365.296609 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -71.843 flat angles C4'-P-C4' energy: -79.987 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -107.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1014.705291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.705291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.705291 (E_RNA) where: Base-Base interactions energy: -671.090 where: short stacking energy: -288.287 Base-Backbone interact. energy: -1.173 local terms energy: -342.442212 where: bonds (distance) C4'-P energy: -61.720 bonds (distance) P-C4' energy: -69.621 flat angles C4'-P-C4' energy: -70.092 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -84.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -930.658062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.658062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.658062 (E_RNA) where: Base-Base interactions energy: -605.056 where: short stacking energy: -287.538 Base-Backbone interact. energy: -0.758 local terms energy: -324.844880 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -64.330 flat angles C4'-P-C4' energy: -76.970 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -78.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -920.447603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.447603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.447603 (E_RNA) where: Base-Base interactions energy: -622.145 where: short stacking energy: -275.676 Base-Backbone interact. energy: 2.246 local terms energy: -300.548150 where: bonds (distance) C4'-P energy: -62.418 bonds (distance) P-C4' energy: -55.928 flat angles C4'-P-C4' energy: -62.764 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -74.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -781.678279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.678279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.678279 (E_RNA) where: Base-Base interactions energy: -479.641 where: short stacking energy: -216.312 Base-Backbone interact. energy: -1.810 local terms energy: -300.227597 where: bonds (distance) C4'-P energy: -64.847 bonds (distance) P-C4' energy: -61.953 flat angles C4'-P-C4' energy: -68.267 flat angles P-C4'-P energy: -39.685 tors. eta vs tors. theta energy: -65.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -697.178569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.178569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.178569 (E_RNA) where: Base-Base interactions energy: -429.380 where: short stacking energy: -210.084 Base-Backbone interact. energy: -0.951 local terms energy: -266.847505 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -51.460 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -31.976 tors. eta vs tors. theta energy: -57.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -576.540158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.540158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.540158 (E_RNA) where: Base-Base interactions energy: -324.338 where: short stacking energy: -166.262 Base-Backbone interact. energy: 6.300 local terms energy: -258.501987 where: bonds (distance) C4'-P energy: -61.105 bonds (distance) P-C4' energy: -61.073 flat angles C4'-P-C4' energy: -62.046 flat angles P-C4'-P energy: -40.412 tors. eta vs tors. theta energy: -33.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -355.321791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.321791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.321791 (E_RNA) where: Base-Base interactions energy: -147.960 where: short stacking energy: -95.796 Base-Backbone interact. energy: 2.246 local terms energy: -209.607879 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -71.286 flat angles C4'-P-C4' energy: -47.399 flat angles P-C4'-P energy: -26.289 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -293.574385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.574385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.574385 (E_RNA) where: Base-Base interactions energy: -123.568 where: short stacking energy: -93.917 Base-Backbone interact. energy: -0.963 local terms energy: -169.043922 where: bonds (distance) C4'-P energy: -49.458 bonds (distance) P-C4' energy: -55.058 flat angles C4'-P-C4' energy: -49.845 flat angles P-C4'-P energy: -21.690 tors. eta vs tors. theta energy: 7.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1132.881509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.881509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.881509 (E_RNA) where: Base-Base interactions energy: -776.154 where: short stacking energy: -336.672 Base-Backbone interact. energy: -0.892 local terms energy: -355.836318 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -57.497 flat angles C4'-P-C4' energy: -79.604 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -96.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1102.869827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.869827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.869827 (E_RNA) where: Base-Base interactions energy: -737.262 where: short stacking energy: -350.889 Base-Backbone interact. energy: -2.445 local terms energy: -363.162614 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -74.521 flat angles C4'-P-C4' energy: -72.626 flat angles P-C4'-P energy: -50.402 tors. eta vs tors. theta energy: -103.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1022.832172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.832172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.832172 (E_RNA) where: Base-Base interactions energy: -682.862 where: short stacking energy: -304.560 Base-Backbone interact. energy: -1.215 local terms energy: -338.755173 where: bonds (distance) C4'-P energy: -63.033 bonds (distance) P-C4' energy: -66.713 flat angles C4'-P-C4' energy: -75.361 flat angles P-C4'-P energy: -49.513 tors. eta vs tors. theta energy: -84.136 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: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -939.843412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.843412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.843412 (E_RNA) where: Base-Base interactions energy: -622.847 where: short stacking energy: -288.502 Base-Backbone interact. energy: -1.893 local terms energy: -315.103983 where: bonds (distance) C4'-P energy: -49.682 bonds (distance) P-C4' energy: -58.590 flat angles C4'-P-C4' energy: -77.041 flat angles P-C4'-P energy: -51.213 tors. eta vs tors. theta energy: -78.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -897.498007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.498007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.498007 (E_RNA) where: Base-Base interactions energy: -577.685 where: short stacking energy: -265.218 Base-Backbone interact. energy: -1.085 local terms energy: -318.728290 where: bonds (distance) C4'-P energy: -58.140 bonds (distance) P-C4' energy: -64.893 flat angles C4'-P-C4' energy: -74.787 flat angles P-C4'-P energy: -47.945 tors. eta vs tors. theta energy: -72.963 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: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -795.263295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.263295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.263295 (E_RNA) where: Base-Base interactions energy: -497.153 where: short stacking energy: -235.383 Base-Backbone interact. energy: 1.649 local terms energy: -299.758534 where: bonds (distance) C4'-P energy: -57.915 bonds (distance) P-C4' energy: -67.968 flat angles C4'-P-C4' energy: -67.206 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -63.864 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: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -684.745327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.745327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.745327 (E_RNA) where: Base-Base interactions energy: -415.274 where: short stacking energy: -208.632 Base-Backbone interact. energy: -2.612 local terms energy: -266.859258 where: bonds (distance) C4'-P energy: -62.720 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -38.922 tors. eta vs tors. theta energy: -48.771 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: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -612.992830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.992830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.992830 (E_RNA) where: Base-Base interactions energy: -352.713 where: short stacking energy: -164.414 Base-Backbone interact. energy: -1.625 local terms energy: -258.654556 where: bonds (distance) C4'-P energy: -51.754 bonds (distance) P-C4' energy: -67.138 flat angles C4'-P-C4' energy: -61.796 flat angles P-C4'-P energy: -39.117 tors. eta vs tors. theta energy: -38.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -340.266138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.266138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.266138 (E_RNA) where: Base-Base interactions energy: -139.736 where: short stacking energy: -104.174 Base-Backbone interact. energy: 0.830 local terms energy: -201.360510 where: bonds (distance) C4'-P energy: -56.092 bonds (distance) P-C4' energy: -60.410 flat angles C4'-P-C4' energy: -53.720 flat angles P-C4'-P energy: -32.539 tors. eta vs tors. theta energy: 1.400 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: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -299.830401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.830401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.830401 (E_RNA) where: Base-Base interactions energy: -127.219 where: short stacking energy: -72.561 Base-Backbone interact. energy: -0.605 local terms energy: -172.006344 where: bonds (distance) C4'-P energy: -52.524 bonds (distance) P-C4' energy: -49.900 flat angles C4'-P-C4' energy: -40.396 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: 9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1128.027434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.027434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.027434 (E_RNA) where: Base-Base interactions energy: -784.384 where: short stacking energy: -328.963 Base-Backbone interact. energy: -0.848 local terms energy: -342.795791 where: bonds (distance) C4'-P energy: -60.482 bonds (distance) P-C4' energy: -65.543 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: -87.889 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: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1112.448775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.448775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.448775 (E_RNA) where: Base-Base interactions energy: -740.858 where: short stacking energy: -352.259 Base-Backbone interact. energy: -0.466 local terms energy: -371.124302 where: bonds (distance) C4'-P energy: -73.137 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -76.300 flat angles P-C4'-P energy: -58.297 tors. eta vs tors. theta energy: -103.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1001.971159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.971159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.971159 (E_RNA) where: Base-Base interactions energy: -682.994 where: short stacking energy: -304.539 Base-Backbone interact. energy: -0.524 local terms energy: -318.453226 where: bonds (distance) C4'-P energy: -66.129 bonds (distance) P-C4' energy: -69.084 flat angles C4'-P-C4' energy: -67.868 flat angles P-C4'-P energy: -44.380 tors. eta vs tors. theta energy: -70.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -934.170868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.170868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.170868 (E_RNA) where: Base-Base interactions energy: -618.179 where: short stacking energy: -279.191 Base-Backbone interact. energy: -0.323 local terms energy: -315.668652 where: bonds (distance) C4'-P energy: -69.062 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -72.834 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -72.549 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: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -871.680110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.680110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.680110 (E_RNA) where: Base-Base interactions energy: -550.069 where: short stacking energy: -255.644 Base-Backbone interact. energy: -0.999 local terms energy: -320.611837 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -72.261 flat angles C4'-P-C4' energy: -72.039 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -68.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -676.322132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.322132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.322132 (E_RNA) where: Base-Base interactions energy: -396.168 where: short stacking energy: -203.269 Base-Backbone interact. energy: -1.267 local terms energy: -278.887032 where: bonds (distance) C4'-P energy: -66.846 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -66.503 flat angles P-C4'-P energy: -36.282 tors. eta vs tors. theta energy: -47.897 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: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -746.095824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.095824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.095824 (E_RNA) where: Base-Base interactions energy: -482.124 where: short stacking energy: -218.619 Base-Backbone interact. energy: -0.815 local terms energy: -263.156452 where: bonds (distance) C4'-P energy: -57.153 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -53.558 flat angles P-C4'-P energy: -34.343 tors. eta vs tors. theta energy: -54.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -604.580225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.580225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.580225 (E_RNA) where: Base-Base interactions energy: -368.149 where: short stacking energy: -185.633 Base-Backbone interact. energy: -0.263 local terms energy: -236.168210 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -53.624 flat angles P-C4'-P energy: -25.306 tors. eta vs tors. theta energy: -33.218 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: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -345.580488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.580488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.580488 (E_RNA) where: Base-Base interactions energy: -145.658 where: short stacking energy: -128.457 Base-Backbone interact. energy: -1.055 local terms energy: -198.867349 where: bonds (distance) C4'-P energy: -55.791 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -41.821 flat angles P-C4'-P energy: -31.475 tors. eta vs tors. theta energy: -7.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -299.939762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.939762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.939762 (E_RNA) where: Base-Base interactions energy: -97.648 where: short stacking energy: -93.818 Base-Backbone interact. energy: -1.230 local terms energy: -201.062165 where: bonds (distance) C4'-P energy: -61.189 bonds (distance) P-C4' energy: -51.120 flat angles C4'-P-C4' energy: -54.818 flat angles P-C4'-P energy: -30.978 tors. eta vs tors. theta energy: -2.957 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: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1132.049993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.049993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.049993 (E_RNA) where: Base-Base interactions energy: -772.686 where: short stacking energy: -348.843 Base-Backbone interact. energy: -1.618 local terms energy: -357.746232 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -76.761 flat angles C4'-P-C4' energy: -75.707 flat angles P-C4'-P energy: -46.393 tors. eta vs tors. theta energy: -95.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1102.347983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.347983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.347983 (E_RNA) where: Base-Base interactions energy: -705.865 where: short stacking energy: -352.635 Base-Backbone interact. energy: -1.521 local terms energy: -394.961752 where: bonds (distance) C4'-P energy: -72.468 bonds (distance) P-C4' energy: -74.270 flat angles C4'-P-C4' energy: -85.002 flat angles P-C4'-P energy: -51.005 tors. eta vs tors. theta energy: -112.217 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: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1009.665440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.665440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.665440 (E_RNA) where: Base-Base interactions energy: -684.247 where: short stacking energy: -282.196 Base-Backbone interact. energy: -1.711 local terms energy: -323.707304 where: bonds (distance) C4'-P energy: -63.119 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -62.607 flat angles P-C4'-P energy: -48.027 tors. eta vs tors. theta energy: -74.456 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: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -924.072690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.072690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.072690 (E_RNA) where: Base-Base interactions energy: -608.029 where: short stacking energy: -281.632 Base-Backbone interact. energy: -2.409 local terms energy: -313.634220 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -66.453 flat angles C4'-P-C4' energy: -73.095 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: -72.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -883.331660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.331660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.331660 (E_RNA) where: Base-Base interactions energy: -571.637 where: short stacking energy: -267.965 Base-Backbone interact. energy: -0.879 local terms energy: -310.815899 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -66.327 flat angles P-C4'-P energy: -41.409 tors. eta vs tors. theta energy: -76.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -688.987542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.987542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.987542 (E_RNA) where: Base-Base interactions energy: -430.285 where: short stacking energy: -205.083 Base-Backbone interact. energy: 1.981 local terms energy: -260.683752 where: bonds (distance) C4'-P energy: -59.460 bonds (distance) P-C4' energy: -60.678 flat angles C4'-P-C4' energy: -56.107 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -39.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -680.135170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.135170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.135170 (E_RNA) where: Base-Base interactions energy: -401.242 where: short stacking energy: -187.158 Base-Backbone interact. energy: 0.491 local terms energy: -279.384690 where: bonds (distance) C4'-P energy: -63.349 bonds (distance) P-C4' energy: -68.489 flat angles C4'-P-C4' energy: -67.894 flat angles P-C4'-P energy: -32.910 tors. eta vs tors. theta energy: -46.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -601.812923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.812923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.812923 (E_RNA) where: Base-Base interactions energy: -329.773 where: short stacking energy: -163.357 Base-Backbone interact. energy: -0.889 local terms energy: -271.151215 where: bonds (distance) C4'-P energy: -57.061 bonds (distance) P-C4' energy: -66.192 flat angles C4'-P-C4' energy: -60.843 flat angles P-C4'-P energy: -38.946 tors. eta vs tors. theta energy: -48.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -353.017284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.017284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.017284 (E_RNA) where: Base-Base interactions energy: -144.150 where: short stacking energy: -92.420 Base-Backbone interact. energy: -1.151 local terms energy: -207.716425 where: bonds (distance) C4'-P energy: -66.265 bonds (distance) P-C4' energy: -63.207 flat angles C4'-P-C4' energy: -46.560 flat angles P-C4'-P energy: -29.786 tors. eta vs tors. theta energy: -1.898 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: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -287.946176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.946176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.946176 (E_RNA) where: Base-Base interactions energy: -117.434 where: short stacking energy: -103.298 Base-Backbone interact. energy: 1.869 local terms energy: -172.381541 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -53.451 flat angles C4'-P-C4' energy: -40.727 flat angles P-C4'-P energy: -34.262 tors. eta vs tors. theta energy: 9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1136.323133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.323133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.323133 (E_RNA) where: Base-Base interactions energy: -783.657 where: short stacking energy: -346.040 Base-Backbone interact. energy: -1.938 local terms energy: -350.728350 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -77.316 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -100.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1070.261422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.261422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.261422 (E_RNA) where: Base-Base interactions energy: -695.880 where: short stacking energy: -327.923 Base-Backbone interact. energy: -0.069 local terms energy: -374.312544 where: bonds (distance) C4'-P energy: -68.622 bonds (distance) P-C4' energy: -64.205 flat angles C4'-P-C4' energy: -84.263 flat angles P-C4'-P energy: -56.884 tors. eta vs tors. theta energy: -100.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1003.265800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.265800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.265800 (E_RNA) where: Base-Base interactions energy: -667.452 where: short stacking energy: -290.391 Base-Backbone interact. energy: -2.780 local terms energy: -333.033480 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -74.341 flat angles C4'-P-C4' energy: -60.602 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -79.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -895.637450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.637450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.637450 (E_RNA) where: Base-Base interactions energy: -585.684 where: short stacking energy: -259.212 Base-Backbone interact. energy: -0.789 local terms energy: -309.164595 where: bonds (distance) C4'-P energy: -61.189 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -71.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -900.314420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.314420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.314420 (E_RNA) where: Base-Base interactions energy: -583.635 where: short stacking energy: -270.266 Base-Backbone interact. energy: -4.341 local terms energy: -312.339215 where: bonds (distance) C4'-P energy: -68.053 bonds (distance) P-C4' energy: -61.687 flat angles C4'-P-C4' energy: -68.542 flat angles P-C4'-P energy: -38.274 tors. eta vs tors. theta energy: -75.783 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: 6 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -704.563501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.563501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.563501 (E_RNA) where: Base-Base interactions energy: -468.611 where: short stacking energy: -228.255 Base-Backbone interact. energy: -1.411 local terms energy: -234.541184 where: bonds (distance) C4'-P energy: -43.704 bonds (distance) P-C4' energy: -48.714 flat angles C4'-P-C4' energy: -57.125 flat angles P-C4'-P energy: -30.237 tors. eta vs tors. theta energy: -54.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -688.416809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.416809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.416809 (E_RNA) where: Base-Base interactions energy: -404.849 where: short stacking energy: -190.501 Base-Backbone interact. energy: -0.025 local terms energy: -283.542372 where: bonds (distance) C4'-P energy: -52.531 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -73.174 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: -57.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -599.153096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.153096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.153096 (E_RNA) where: Base-Base interactions energy: -365.124 where: short stacking energy: -175.006 Base-Backbone interact. energy: -0.422 local terms energy: -233.607248 where: bonds (distance) C4'-P energy: -49.125 bonds (distance) P-C4' energy: -62.065 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -32.460 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: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -354.741636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.741636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.741636 (E_RNA) where: Base-Base interactions energy: -153.997 where: short stacking energy: -99.583 Base-Backbone interact. energy: -2.155 local terms energy: -198.590125 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -42.469 flat angles C4'-P-C4' energy: -56.524 flat angles P-C4'-P energy: -39.212 tors. eta vs tors. theta energy: 7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -279.988632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.988632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.988632 (E_RNA) where: Base-Base interactions energy: -97.265 where: short stacking energy: -75.835 Base-Backbone interact. energy: -1.497 local terms energy: -181.226285 where: bonds (distance) C4'-P energy: -51.852 bonds (distance) P-C4' energy: -55.361 flat angles C4'-P-C4' energy: -56.794 flat angles P-C4'-P energy: -35.386 tors. eta vs tors. theta energy: 18.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1143.995003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.995003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.995003 (E_RNA) where: Base-Base interactions energy: -768.048 where: short stacking energy: -338.000 Base-Backbone interact. energy: -1.999 local terms energy: -373.947930 where: bonds (distance) C4'-P energy: -75.369 bonds (distance) P-C4' energy: -68.964 flat angles C4'-P-C4' energy: -82.683 flat angles P-C4'-P energy: -46.633 tors. eta vs tors. theta energy: -100.299 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: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1069.583760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.583760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.583760 (E_RNA) where: Base-Base interactions energy: -714.335 where: short stacking energy: -312.171 Base-Backbone interact. energy: -1.206 local terms energy: -354.042638 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -63.990 flat angles C4'-P-C4' energy: -77.504 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -94.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1034.791970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.791970 (E_RNA) where: Base-Base interactions energy: -697.316 where: short stacking energy: -304.805 Base-Backbone interact. energy: -2.175 local terms energy: -335.301708 where: bonds (distance) C4'-P energy: -60.704 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -75.336 flat angles P-C4'-P energy: -54.515 tors. eta vs tors. theta energy: -81.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -937.523851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.523851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.523851 (E_RNA) where: Base-Base interactions energy: -610.581 where: short stacking energy: -290.446 Base-Backbone interact. energy: -1.090 local terms energy: -325.852657 where: bonds (distance) C4'-P energy: -68.295 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -58.850 flat angles P-C4'-P energy: -52.350 tors. eta vs tors. theta energy: -89.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -881.297137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.297137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.297137 (E_RNA) where: Base-Base interactions energy: -557.155 where: short stacking energy: -261.378 Base-Backbone interact. energy: -1.635 local terms energy: -322.507494 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -61.843 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -74.192 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: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -702.238149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.238149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.238149 (E_RNA) where: Base-Base interactions energy: -454.812 where: short stacking energy: -212.532 Base-Backbone interact. energy: -1.282 local terms energy: -246.143738 where: bonds (distance) C4'-P energy: -53.686 bonds (distance) P-C4' energy: -44.203 flat angles C4'-P-C4' energy: -65.991 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -43.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -682.496219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.496219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.496219 (E_RNA) where: Base-Base interactions energy: -431.488 where: short stacking energy: -198.602 Base-Backbone interact. energy: 1.407 local terms energy: -252.415407 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -74.125 flat angles C4'-P-C4' energy: -42.271 flat angles P-C4'-P energy: -41.118 tors. eta vs tors. theta energy: -39.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -591.492063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.492063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.492063 (E_RNA) where: Base-Base interactions energy: -339.148 where: short stacking energy: -168.628 Base-Backbone interact. energy: 1.995 local terms energy: -254.339087 where: bonds (distance) C4'-P energy: -51.063 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -57.137 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -37.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -400.280903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.280903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.280903 (E_RNA) where: Base-Base interactions energy: -181.227 where: short stacking energy: -110.123 Base-Backbone interact. energy: -0.087 local terms energy: -218.967081 where: bonds (distance) C4'-P energy: -53.729 bonds (distance) P-C4' energy: -67.138 flat angles C4'-P-C4' energy: -49.704 flat angles P-C4'-P energy: -34.326 tors. eta vs tors. theta energy: -14.070 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: 10, replica: 3 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -286.333795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.333795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.333795 (E_RNA) where: Base-Base interactions energy: -112.900 where: short stacking energy: -102.356 Base-Backbone interact. energy: -0.894 local terms energy: -172.539191 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -48.453 flat angles C4'-P-C4' energy: -50.216 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -10.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1128.789677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.789677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.789677 (E_RNA) where: Base-Base interactions energy: -757.010 where: short stacking energy: -325.993 Base-Backbone interact. energy: -1.358 local terms energy: -370.421843 where: bonds (distance) C4'-P energy: -72.406 bonds (distance) P-C4' energy: -73.527 flat angles C4'-P-C4' energy: -79.836 flat angles P-C4'-P energy: -51.956 tors. eta vs tors. theta energy: -92.697 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: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1084.610708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.610708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.610708 (E_RNA) where: Base-Base interactions energy: -715.328 where: short stacking energy: -350.146 Base-Backbone interact. energy: -0.376 local terms energy: -368.907085 where: bonds (distance) C4'-P energy: -68.873 bonds (distance) P-C4' energy: -67.990 flat angles C4'-P-C4' energy: -83.064 flat angles P-C4'-P energy: -46.531 tors. eta vs tors. theta energy: -102.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1006.384585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.384585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.384585 (E_RNA) where: Base-Base interactions energy: -688.904 where: short stacking energy: -306.714 Base-Backbone interact. energy: -1.517 local terms energy: -315.962973 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -58.598 flat angles C4'-P-C4' energy: -66.806 flat angles P-C4'-P energy: -53.755 tors. eta vs tors. theta energy: -74.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -908.122571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.122571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.122571 (E_RNA) where: Base-Base interactions energy: -594.840 where: short stacking energy: -263.278 Base-Backbone interact. energy: -1.551 local terms energy: -311.731238 where: bonds (distance) C4'-P energy: -59.199 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -72.207 flat angles P-C4'-P energy: -39.276 tors. eta vs tors. theta energy: -76.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -835.545640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.545640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.545640 (E_RNA) where: Base-Base interactions energy: -561.554 where: short stacking energy: -249.695 Base-Backbone interact. energy: 5.525 local terms energy: -279.516486 where: bonds (distance) C4'-P energy: -58.097 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -70.121 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: -60.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -748.250301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.250301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.250301 (E_RNA) where: Base-Base interactions energy: -468.461 where: short stacking energy: -223.755 Base-Backbone interact. energy: -0.507 local terms energy: -279.283220 where: bonds (distance) C4'-P energy: -60.828 bonds (distance) P-C4' energy: -59.115 flat angles C4'-P-C4' energy: -64.028 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -55.212 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: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -700.693386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.693386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.693386 (E_RNA) where: Base-Base interactions energy: -407.744 where: short stacking energy: -211.850 Base-Backbone interact. energy: 1.333 local terms energy: -294.282666 where: bonds (distance) C4'-P energy: -61.300 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -63.662 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -51.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -664.929790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.929790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.929790 (E_RNA) where: Base-Base interactions energy: -416.124 where: short stacking energy: -208.701 Base-Backbone interact. energy: -1.696 local terms energy: -247.109324 where: bonds (distance) C4'-P energy: -49.355 bonds (distance) P-C4' energy: -69.298 flat angles C4'-P-C4' energy: -50.180 flat angles P-C4'-P energy: -28.821 tors. eta vs tors. theta energy: -49.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -390.022786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.022786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.022786 (E_RNA) where: Base-Base interactions energy: -191.919 where: short stacking energy: -104.844 Base-Backbone interact. energy: -0.119 local terms energy: -197.983906 where: bonds (distance) C4'-P energy: -49.080 bonds (distance) P-C4' energy: -66.253 flat angles C4'-P-C4' energy: -53.138 flat angles P-C4'-P energy: -34.690 tors. eta vs tors. theta energy: 5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -282.455514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.455514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.455514 (E_RNA) where: Base-Base interactions energy: -99.930 where: short stacking energy: -98.411 Base-Backbone interact. energy: 0.872 local terms energy: -183.398197 where: bonds (distance) C4'-P energy: -43.076 bonds (distance) P-C4' energy: -57.900 flat angles C4'-P-C4' energy: -46.370 flat angles P-C4'-P energy: -27.849 tors. eta vs tors. theta energy: -8.204 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: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1134.138642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.138642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.138642 (E_RNA) where: Base-Base interactions energy: -784.738 where: short stacking energy: -341.617 Base-Backbone interact. energy: -1.231 local terms energy: -348.170202 where: bonds (distance) C4'-P energy: -65.780 bonds (distance) P-C4' energy: -61.528 flat angles C4'-P-C4' energy: -78.795 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: -95.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1079.633338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.633338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.633338 (E_RNA) where: Base-Base interactions energy: -713.221 where: short stacking energy: -331.000 Base-Backbone interact. energy: 3.018 local terms energy: -369.430131 where: bonds (distance) C4'-P energy: -64.900 bonds (distance) P-C4' energy: -74.292 flat angles C4'-P-C4' energy: -77.961 flat angles P-C4'-P energy: -59.900 tors. eta vs tors. theta energy: -92.377 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: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1018.125419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.125419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.125419 (E_RNA) where: Base-Base interactions energy: -682.793 where: short stacking energy: -305.894 Base-Backbone interact. energy: -1.341 local terms energy: -333.990510 where: bonds (distance) C4'-P energy: -55.706 bonds (distance) P-C4' energy: -74.630 flat angles C4'-P-C4' energy: -72.506 flat angles P-C4'-P energy: -52.879 tors. eta vs tors. theta energy: -78.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -910.094970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.094970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.094970 (E_RNA) where: Base-Base interactions energy: -580.753 where: short stacking energy: -254.559 Base-Backbone interact. energy: -3.167 local terms energy: -326.174690 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -79.419 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -75.453 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: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -842.016069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.016069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.016069 (E_RNA) where: Base-Base interactions energy: -566.102 where: short stacking energy: -243.825 Base-Backbone interact. energy: -1.295 local terms energy: -274.619029 where: bonds (distance) C4'-P energy: -54.514 bonds (distance) P-C4' energy: -62.193 flat angles C4'-P-C4' energy: -58.396 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: -62.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -792.014393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.014393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.014393 (E_RNA) where: Base-Base interactions energy: -510.008 where: short stacking energy: -212.464 Base-Backbone interact. energy: -2.687 local terms energy: -279.319249 where: bonds (distance) C4'-P energy: -65.267 bonds (distance) P-C4' energy: -66.422 flat angles C4'-P-C4' energy: -57.814 flat angles P-C4'-P energy: -33.214 tors. eta vs tors. theta energy: -56.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -671.526184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.526184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.526184 (E_RNA) where: Base-Base interactions energy: -405.911 where: short stacking energy: -196.000 Base-Backbone interact. energy: -1.337 local terms energy: -264.277967 where: bonds (distance) C4'-P energy: -57.124 bonds (distance) P-C4' energy: -73.902 flat angles C4'-P-C4' energy: -56.440 flat angles P-C4'-P energy: -31.398 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: 240 Temperature: 1.250000 Total energy: -632.841512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.841512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.841512 (E_RNA) where: Base-Base interactions energy: -370.210 where: short stacking energy: -175.800 Base-Backbone interact. energy: -1.292 local terms energy: -261.339591 where: bonds (distance) C4'-P energy: -58.038 bonds (distance) P-C4' energy: -64.223 flat angles C4'-P-C4' energy: -54.967 flat angles P-C4'-P energy: -44.365 tors. eta vs tors. theta energy: -39.745 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: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -310.487689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.487689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.487689 (E_RNA) where: Base-Base interactions energy: -117.524 where: short stacking energy: -91.126 Base-Backbone interact. energy: -2.193 local terms energy: -190.771198 where: bonds (distance) C4'-P energy: -59.493 bonds (distance) P-C4' energy: -60.853 flat angles C4'-P-C4' energy: -49.950 flat angles P-C4'-P energy: -21.419 tors. eta vs tors. theta energy: 0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -361.907968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.907968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.907968 (E_RNA) where: Base-Base interactions energy: -171.322 where: short stacking energy: -99.439 Base-Backbone interact. energy: -0.819 local terms energy: -189.766560 where: bonds (distance) C4'-P energy: -37.574 bonds (distance) P-C4' energy: -51.429 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -32.569 tors. eta vs tors. theta energy: -8.896 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: 241 Temperature: 0.900000 Total energy: -1148.139280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.139280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.139280 (E_RNA) where: Base-Base interactions energy: -777.915 where: short stacking energy: -352.332 Base-Backbone interact. energy: -1.311 local terms energy: -368.913149 where: bonds (distance) C4'-P energy: -66.244 bonds (distance) P-C4' energy: -66.120 flat angles C4'-P-C4' energy: -81.376 flat angles P-C4'-P energy: -51.060 tors. eta vs tors. theta energy: -104.113 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: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1080.041389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.041389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.041389 (E_RNA) where: Base-Base interactions energy: -725.286 where: short stacking energy: -330.952 Base-Backbone interact. energy: 0.204 local terms energy: -354.959412 where: bonds (distance) C4'-P energy: -72.993 bonds (distance) P-C4' energy: -51.034 flat angles C4'-P-C4' energy: -77.245 flat angles P-C4'-P energy: -52.377 tors. eta vs tors. theta energy: -101.310 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1025.341401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.341401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.341401 (E_RNA) where: Base-Base interactions energy: -705.266 where: short stacking energy: -315.255 Base-Backbone interact. energy: -0.652 local terms energy: -319.422582 where: bonds (distance) C4'-P energy: -56.056 bonds (distance) P-C4' energy: -60.050 flat angles C4'-P-C4' energy: -72.599 flat angles P-C4'-P energy: -43.508 tors. eta vs tors. theta energy: -87.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -926.517012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.517012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.517012 (E_RNA) where: Base-Base interactions energy: -591.930 where: short stacking energy: -276.280 Base-Backbone interact. energy: -1.224 local terms energy: -333.363120 where: bonds (distance) C4'-P energy: -65.235 bonds (distance) P-C4' energy: -71.057 flat angles C4'-P-C4' energy: -74.348 flat angles P-C4'-P energy: -44.513 tors. eta vs tors. theta energy: -78.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -824.054949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.054949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.054949 (E_RNA) where: Base-Base interactions energy: -547.822 where: short stacking energy: -247.579 Base-Backbone interact. energy: -3.336 local terms energy: -272.897476 where: bonds (distance) C4'-P energy: -49.736 bonds (distance) P-C4' energy: -61.726 flat angles C4'-P-C4' energy: -65.549 flat angles P-C4'-P energy: -34.766 tors. eta vs tors. theta energy: -61.120 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: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -844.049555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.049555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.049555 (E_RNA) where: Base-Base interactions energy: -528.665 where: short stacking energy: -238.027 Base-Backbone interact. energy: -2.528 local terms energy: -312.855881 where: bonds (distance) C4'-P energy: -58.737 bonds (distance) P-C4' energy: -70.015 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -59.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -616.546599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.546599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.546599 (E_RNA) where: Base-Base interactions energy: -364.673 where: short stacking energy: -185.639 Base-Backbone interact. energy: -1.312 local terms energy: -250.562108 where: bonds (distance) C4'-P energy: -54.463 bonds (distance) P-C4' energy: -68.026 flat angles C4'-P-C4' energy: -60.821 flat angles P-C4'-P energy: -30.292 tors. eta vs tors. theta energy: -36.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -626.918613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.918613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.918613 (E_RNA) where: Base-Base interactions energy: -378.593 where: short stacking energy: -200.210 Base-Backbone interact. energy: -0.007 local terms energy: -248.319314 where: bonds (distance) C4'-P energy: -43.586 bonds (distance) P-C4' energy: -58.940 flat angles C4'-P-C4' energy: -58.946 flat angles P-C4'-P energy: -42.071 tors. eta vs tors. theta energy: -44.776 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: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -354.946992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.946992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.946992 (E_RNA) where: Base-Base interactions energy: -154.454 where: short stacking energy: -97.443 Base-Backbone interact. energy: 0.810 local terms energy: -201.303588 where: bonds (distance) C4'-P energy: -65.583 bonds (distance) P-C4' energy: -56.239 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -26.659 tors. eta vs tors. theta energy: 4.865 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: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -325.713627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.713627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.713627 (E_RNA) where: Base-Base interactions energy: -136.615 where: short stacking energy: -87.670 Base-Backbone interact. energy: 1.905 local terms energy: -191.003841 where: bonds (distance) C4'-P energy: -55.010 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -44.365 flat angles P-C4'-P energy: -36.157 tors. eta vs tors. theta energy: 7.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1101.547503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.547503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.547503 (E_RNA) where: Base-Base interactions energy: -728.240 where: short stacking energy: -351.066 Base-Backbone interact. energy: -2.272 local terms energy: -371.034808 where: bonds (distance) C4'-P energy: -66.733 bonds (distance) P-C4' energy: -66.783 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -53.928 tors. eta vs tors. theta energy: -98.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1088.620878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.620878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.620878 (E_RNA) where: Base-Base interactions energy: -730.897 where: short stacking energy: -312.889 Base-Backbone interact. energy: -2.749 local terms energy: -354.975231 where: bonds (distance) C4'-P energy: -66.090 bonds (distance) P-C4' energy: -71.810 flat angles C4'-P-C4' energy: -76.550 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -93.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1018.862859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.862859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.862859 (E_RNA) where: Base-Base interactions energy: -690.835 where: short stacking energy: -298.037 Base-Backbone interact. energy: -3.563 local terms energy: -324.464527 where: bonds (distance) C4'-P energy: -55.357 bonds (distance) P-C4' energy: -70.625 flat angles C4'-P-C4' energy: -71.877 flat angles P-C4'-P energy: -44.622 tors. eta vs tors. theta energy: -81.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -942.945418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.945418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.945418 (E_RNA) where: Base-Base interactions energy: -631.293 where: short stacking energy: -288.532 Base-Backbone interact. energy: -0.710 local terms energy: -310.942879 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: -84.549 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: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -835.716821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.716821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.716821 (E_RNA) where: Base-Base interactions energy: -548.591 where: short stacking energy: -251.901 Base-Backbone interact. energy: -1.732 local terms energy: -285.393565 where: bonds (distance) C4'-P energy: -63.406 bonds (distance) P-C4' energy: -60.562 flat angles C4'-P-C4' energy: -62.463 flat angles P-C4'-P energy: -43.112 tors. eta vs tors. theta energy: -55.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -836.730660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.730660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.730660 (E_RNA) where: Base-Base interactions energy: -558.828 where: short stacking energy: -241.609 Base-Backbone interact. energy: -1.493 local terms energy: -276.409484 where: bonds (distance) C4'-P energy: -53.015 bonds (distance) P-C4' energy: -66.792 flat angles C4'-P-C4' energy: -72.043 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -41.160 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: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -612.421247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.421247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.421247 (E_RNA) where: Base-Base interactions energy: -361.706 where: short stacking energy: -187.546 Base-Backbone interact. energy: -1.325 local terms energy: -249.390335 where: bonds (distance) C4'-P energy: -48.823 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -62.210 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -37.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -604.536466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.536466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.536466 (E_RNA) where: Base-Base interactions energy: -367.504 where: short stacking energy: -177.257 Base-Backbone interact. energy: 0.237 local terms energy: -237.269448 where: bonds (distance) C4'-P energy: -65.414 bonds (distance) P-C4' energy: -53.562 flat angles C4'-P-C4' energy: -51.639 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: -33.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -388.764474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.764474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.764474 (E_RNA) where: Base-Base interactions energy: -183.955 where: short stacking energy: -113.783 Base-Backbone interact. energy: 0.906 local terms energy: -205.715285 where: bonds (distance) C4'-P energy: -61.143 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -53.928 flat angles P-C4'-P energy: -23.992 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -285.846192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.846192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.846192 (E_RNA) where: Base-Base interactions energy: -111.139 where: short stacking energy: -96.772 Base-Backbone interact. energy: 0.697 local terms energy: -175.403738 where: bonds (distance) C4'-P energy: -55.924 bonds (distance) P-C4' energy: -65.587 flat angles C4'-P-C4' energy: -45.565 flat angles P-C4'-P energy: -15.362 tors. eta vs tors. theta energy: 7.035 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: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1133.389286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.389286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.389286 (E_RNA) where: Base-Base interactions energy: -752.509 where: short stacking energy: -365.657 Base-Backbone interact. energy: -3.709 local terms energy: -377.171628 where: bonds (distance) C4'-P energy: -62.906 bonds (distance) P-C4' energy: -74.406 flat angles C4'-P-C4' energy: -80.597 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: -107.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1100.112618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.112618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.112618 (E_RNA) where: Base-Base interactions energy: -744.237 where: short stacking energy: -315.146 Base-Backbone interact. energy: -2.526 local terms energy: -353.349614 where: bonds (distance) C4'-P energy: -71.340 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -80.469 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: -87.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1015.332738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.332738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.332738 (E_RNA) where: Base-Base interactions energy: -686.191 where: short stacking energy: -301.673 Base-Backbone interact. energy: 0.013 local terms energy: -329.154497 where: bonds (distance) C4'-P energy: -71.267 bonds (distance) P-C4' energy: -68.439 flat angles C4'-P-C4' energy: -73.037 flat angles P-C4'-P energy: -48.858 tors. eta vs tors. theta energy: -67.553 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: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -945.270980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.270980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.270980 (E_RNA) where: Base-Base interactions energy: -626.718 where: short stacking energy: -286.234 Base-Backbone interact. energy: -3.021 local terms energy: -315.532003 where: bonds (distance) C4'-P energy: -59.657 bonds (distance) P-C4' energy: -67.910 flat angles C4'-P-C4' energy: -67.682 flat angles P-C4'-P energy: -39.770 tors. eta vs tors. theta energy: -80.513 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: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -831.010816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.010816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.010816 (E_RNA) where: Base-Base interactions energy: -547.521 where: short stacking energy: -226.223 Base-Backbone interact. energy: -0.087 local terms energy: -283.403027 where: bonds (distance) C4'-P energy: -66.261 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -62.731 flat angles P-C4'-P energy: -40.496 tors. eta vs tors. theta energy: -55.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -812.952476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.952476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.952476 (E_RNA) where: Base-Base interactions energy: -521.439 where: short stacking energy: -230.242 Base-Backbone interact. energy: -1.262 local terms energy: -290.252089 where: bonds (distance) C4'-P energy: -59.964 bonds (distance) P-C4' energy: -65.473 flat angles C4'-P-C4' energy: -70.746 flat angles P-C4'-P energy: -33.421 tors. eta vs tors. theta energy: -60.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -600.440954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.440954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.440954 (E_RNA) where: Base-Base interactions energy: -341.840 where: short stacking energy: -181.659 Base-Backbone interact. energy: -0.555 local terms energy: -258.045612 where: bonds (distance) C4'-P energy: -55.222 bonds (distance) P-C4' energy: -63.527 flat angles C4'-P-C4' energy: -69.227 flat angles P-C4'-P energy: -27.185 tors. eta vs tors. theta energy: -42.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -567.695367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.695367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.695367 (E_RNA) where: Base-Base interactions energy: -322.143 where: short stacking energy: -167.384 Base-Backbone interact. energy: -1.749 local terms energy: -243.804111 where: bonds (distance) C4'-P energy: -50.974 bonds (distance) P-C4' energy: -59.932 flat angles C4'-P-C4' energy: -66.770 flat angles P-C4'-P energy: -32.204 tors. eta vs tors. theta energy: -33.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -394.865327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.865327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.865327 (E_RNA) where: Base-Base interactions energy: -190.223 where: short stacking energy: -114.192 Base-Backbone interact. energy: -1.844 local terms energy: -202.798013 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -56.475 flat angles C4'-P-C4' energy: -51.478 flat angles P-C4'-P energy: -26.921 tors. eta vs tors. theta energy: -9.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -289.679069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.679069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.679069 (E_RNA) where: Base-Base interactions energy: -97.783 where: short stacking energy: -90.779 Base-Backbone interact. energy: -2.860 local terms energy: -189.035445 where: bonds (distance) C4'-P energy: -47.321 bonds (distance) P-C4' energy: -72.029 flat angles C4'-P-C4' energy: -53.783 flat angles P-C4'-P energy: -16.793 tors. eta vs tors. theta energy: 0.891 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: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1113.718762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.718762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.718762 (E_RNA) where: Base-Base interactions energy: -731.280 where: short stacking energy: -360.761 Base-Backbone interact. energy: -0.659 local terms energy: -381.779570 where: bonds (distance) C4'-P energy: -68.154 bonds (distance) P-C4' energy: -67.681 flat angles C4'-P-C4' energy: -84.589 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -111.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1101.306969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.306969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.306969 (E_RNA) where: Base-Base interactions energy: -756.101 where: short stacking energy: -309.658 Base-Backbone interact. energy: -1.695 local terms energy: -343.511013 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -64.652 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -48.359 tors. eta vs tors. theta energy: -88.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1022.448780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.448780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.448780 (E_RNA) where: Base-Base interactions energy: -692.742 where: short stacking energy: -302.745 Base-Backbone interact. energy: -2.750 local terms energy: -326.957086 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -71.818 flat angles C4'-P-C4' energy: -72.904 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: -76.338 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: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -945.110353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.110353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.110353 (E_RNA) where: Base-Base interactions energy: -610.962 where: short stacking energy: -276.101 Base-Backbone interact. energy: 0.461 local terms energy: -334.609299 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -68.205 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -51.925 tors. eta vs tors. theta energy: -77.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -825.196894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.196894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.196894 (E_RNA) where: Base-Base interactions energy: -541.215 where: short stacking energy: -252.882 Base-Backbone interact. energy: -1.909 local terms energy: -282.072738 where: bonds (distance) C4'-P energy: -54.867 bonds (distance) P-C4' energy: -63.862 flat angles C4'-P-C4' energy: -57.136 flat angles P-C4'-P energy: -43.472 tors. eta vs tors. theta energy: -62.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -842.966521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.966521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.966521 (E_RNA) where: Base-Base interactions energy: -548.484 where: short stacking energy: -237.023 Base-Backbone interact. energy: -2.606 local terms energy: -291.875950 where: bonds (distance) C4'-P energy: -54.133 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -66.932 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: -61.436 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: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -618.249748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.249748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.249748 (E_RNA) where: Base-Base interactions energy: -357.026 where: short stacking energy: -176.156 Base-Backbone interact. energy: -1.111 local terms energy: -260.112683 where: bonds (distance) C4'-P energy: -54.885 bonds (distance) P-C4' energy: -56.737 flat angles C4'-P-C4' energy: -74.596 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -29.420 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: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -557.830049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.830049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.830049 (E_RNA) where: Base-Base interactions energy: -330.015 where: short stacking energy: -167.207 Base-Backbone interact. energy: -1.249 local terms energy: -226.566742 where: bonds (distance) C4'-P energy: -51.556 bonds (distance) P-C4' energy: -65.823 flat angles C4'-P-C4' energy: -52.477 flat angles P-C4'-P energy: -30.674 tors. eta vs tors. theta energy: -26.037 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: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -312.045291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.045291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.045291 (E_RNA) where: Base-Base interactions energy: -124.128 where: short stacking energy: -115.440 Base-Backbone interact. energy: -1.296 local terms energy: -186.621041 where: bonds (distance) C4'-P energy: -44.689 bonds (distance) P-C4' energy: -64.635 flat angles C4'-P-C4' energy: -54.369 flat angles P-C4'-P energy: -23.120 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -332.072195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.072195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.072195 (E_RNA) where: Base-Base interactions energy: -143.940 where: short stacking energy: -86.592 Base-Backbone interact. energy: -0.106 local terms energy: -188.025296 where: bonds (distance) C4'-P energy: -59.059 bonds (distance) P-C4' energy: -63.612 flat angles C4'-P-C4' energy: -53.778 flat angles P-C4'-P energy: -18.726 tors. eta vs tors. theta energy: 7.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1115.696750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.696750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.696750 (E_RNA) where: Base-Base interactions energy: -740.451 where: short stacking energy: -362.674 Base-Backbone interact. energy: -2.254 local terms energy: -372.991384 where: bonds (distance) C4'-P energy: -63.700 bonds (distance) P-C4' energy: -75.407 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -51.162 tors. eta vs tors. theta energy: -102.095 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: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1084.705738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.705738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.705738 (E_RNA) where: Base-Base interactions energy: -738.479 where: short stacking energy: -310.819 Base-Backbone interact. energy: 0.139 local terms energy: -346.365921 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -73.491 flat angles C4'-P-C4' energy: -71.882 flat angles P-C4'-P energy: -48.432 tors. eta vs tors. theta energy: -86.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1012.892735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.892735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.892735 (E_RNA) where: Base-Base interactions energy: -691.693 where: short stacking energy: -306.646 Base-Backbone interact. energy: 0.527 local terms energy: -321.726560 where: bonds (distance) C4'-P energy: -66.196 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -71.326 flat angles P-C4'-P energy: -45.387 tors. eta vs tors. theta energy: -74.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -921.984480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.984480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.984480 (E_RNA) where: Base-Base interactions energy: -588.809 where: short stacking energy: -267.353 Base-Backbone interact. energy: -3.148 local terms energy: -330.026638 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: -74.563 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: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -835.598900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.598900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.598900 (E_RNA) where: Base-Base interactions energy: -547.231 where: short stacking energy: -237.531 Base-Backbone interact. energy: -1.524 local terms energy: -286.843845 where: bonds (distance) C4'-P energy: -64.782 bonds (distance) P-C4' energy: -64.953 flat angles C4'-P-C4' energy: -60.370 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: -60.036 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: 6, replica: 8 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -847.490964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.490964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.490964 (E_RNA) where: Base-Base interactions energy: -544.207 where: short stacking energy: -238.064 Base-Backbone interact. energy: -1.860 local terms energy: -301.424107 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -60.083 flat angles C4'-P-C4' energy: -66.053 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: -65.926 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: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -625.281036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.281036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.281036 (E_RNA) where: Base-Base interactions energy: -380.992 where: short stacking energy: -207.877 Base-Backbone interact. energy: 5.037 local terms energy: -249.326854 where: bonds (distance) C4'-P energy: -61.004 bonds (distance) P-C4' energy: -54.906 flat angles C4'-P-C4' energy: -74.969 flat angles P-C4'-P energy: -15.265 tors. eta vs tors. theta energy: -43.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -563.422420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.422420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.422420 (E_RNA) where: Base-Base interactions energy: -310.710 where: short stacking energy: -165.568 Base-Backbone interact. energy: -0.615 local terms energy: -252.097081 where: bonds (distance) C4'-P energy: -56.851 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -40.244 tors. eta vs tors. theta energy: -32.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -342.177548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.177548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.177548 (E_RNA) where: Base-Base interactions energy: -127.702 where: short stacking energy: -89.970 Base-Backbone interact. energy: 1.142 local terms energy: -215.617232 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -76.846 flat angles C4'-P-C4' energy: -49.057 flat angles P-C4'-P energy: -30.986 tors. eta vs tors. theta energy: -2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -348.819902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.819902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.819902 (E_RNA) where: Base-Base interactions energy: -149.321 where: short stacking energy: -103.896 Base-Backbone interact. energy: 1.788 local terms energy: -201.286943 where: bonds (distance) C4'-P energy: -55.210 bonds (distance) P-C4' energy: -59.284 flat angles C4'-P-C4' energy: -55.159 flat angles P-C4'-P energy: -31.153 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1091.046556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.046556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.046556 (E_RNA) where: Base-Base interactions energy: -706.256 where: short stacking energy: -321.828 Base-Backbone interact. energy: -0.681 local terms energy: -384.109372 where: bonds (distance) C4'-P energy: -70.997 bonds (distance) P-C4' energy: -80.768 flat angles C4'-P-C4' energy: -83.045 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -87.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1098.795594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.795594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.795594 (E_RNA) where: Base-Base interactions energy: -739.367 where: short stacking energy: -325.162 Base-Backbone interact. energy: 1.320 local terms energy: -360.748542 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -70.774 flat angles C4'-P-C4' energy: -82.205 flat angles P-C4'-P energy: -48.918 tors. eta vs tors. theta energy: -88.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1016.980340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.980340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.980340 (E_RNA) where: Base-Base interactions energy: -695.782 where: short stacking energy: -314.488 Base-Backbone interact. energy: 5.670 local terms energy: -326.868096 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -75.486 flat angles P-C4'-P energy: -53.600 tors. eta vs tors. theta energy: -78.656 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: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -934.570923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.570923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.570923 (E_RNA) where: Base-Base interactions energy: -620.871 where: short stacking energy: -270.399 Base-Backbone interact. energy: -0.461 local terms energy: -313.238799 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -55.509 flat angles C4'-P-C4' energy: -73.106 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: -78.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -838.170713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.170713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.170713 (E_RNA) where: Base-Base interactions energy: -540.823 where: short stacking energy: -267.461 Base-Backbone interact. energy: -1.501 local terms energy: -295.846160 where: bonds (distance) C4'-P energy: -59.144 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -67.130 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -66.859 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: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -830.133707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.133707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.133707 (E_RNA) where: Base-Base interactions energy: -550.772 where: short stacking energy: -250.942 Base-Backbone interact. energy: -3.611 local terms energy: -275.751010 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -59.878 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -25.218 tors. eta vs tors. theta energy: -69.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -673.754550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.754550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.754550 (E_RNA) where: Base-Base interactions energy: -412.204 where: short stacking energy: -188.807 Base-Backbone interact. energy: -1.154 local terms energy: -260.396227 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -66.197 flat angles C4'-P-C4' energy: -65.052 flat angles P-C4'-P energy: -34.026 tors. eta vs tors. theta energy: -37.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -604.413878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.413878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.413878 (E_RNA) where: Base-Base interactions energy: -371.422 where: short stacking energy: -181.737 Base-Backbone interact. energy: -1.779 local terms energy: -231.212943 where: bonds (distance) C4'-P energy: -44.283 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -55.848 flat angles P-C4'-P energy: -36.775 tors. eta vs tors. theta energy: -31.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -304.354562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.354562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.354562 (E_RNA) where: Base-Base interactions energy: -126.492 where: short stacking energy: -98.215 Base-Backbone interact. energy: 5.847 local terms energy: -183.709842 where: bonds (distance) C4'-P energy: -52.433 bonds (distance) P-C4' energy: -68.771 flat angles C4'-P-C4' energy: -52.435 flat angles P-C4'-P energy: -26.349 tors. eta vs tors. theta energy: 16.278 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: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -287.724860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.724860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.724860 (E_RNA) where: Base-Base interactions energy: -98.810 where: short stacking energy: -84.402 Base-Backbone interact. energy: 2.103 local terms energy: -191.017512 where: bonds (distance) C4'-P energy: -69.854 bonds (distance) P-C4' energy: -49.212 flat angles C4'-P-C4' energy: -46.200 flat angles P-C4'-P energy: -30.876 tors. eta vs tors. theta energy: 5.125 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: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1094.281778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.281778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.281778 (E_RNA) where: Base-Base interactions energy: -729.051 where: short stacking energy: -345.620 Base-Backbone interact. energy: -3.491 local terms energy: -361.739926 where: bonds (distance) C4'-P energy: -73.410 bonds (distance) P-C4' energy: -67.001 flat angles C4'-P-C4' energy: -79.700 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -92.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1096.090568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.090568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.090568 (E_RNA) where: Base-Base interactions energy: -741.435 where: short stacking energy: -330.857 Base-Backbone interact. energy: 1.819 local terms energy: -356.475422 where: bonds (distance) C4'-P energy: -62.975 bonds (distance) P-C4' energy: -72.257 flat angles C4'-P-C4' energy: -78.931 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: -90.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1016.952867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.952867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.952867 (E_RNA) where: Base-Base interactions energy: -685.405 where: short stacking energy: -297.012 Base-Backbone interact. energy: -1.491 local terms energy: -330.056944 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -72.651 flat angles C4'-P-C4' energy: -71.771 flat angles P-C4'-P energy: -47.937 tors. eta vs tors. theta energy: -76.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -930.624808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.624808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.624808 (E_RNA) where: Base-Base interactions energy: -616.071 where: short stacking energy: -283.662 Base-Backbone interact. energy: 1.576 local terms energy: -316.130231 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -66.072 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: -71.306 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: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -865.623227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.623227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.623227 (E_RNA) where: Base-Base interactions energy: -552.975 where: short stacking energy: -265.241 Base-Backbone interact. energy: -1.366 local terms energy: -311.282448 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -67.526 flat angles P-C4'-P energy: -42.041 tors. eta vs tors. theta energy: -75.631 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -822.984183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.984183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.984183 (E_RNA) where: Base-Base interactions energy: -543.462 where: short stacking energy: -246.293 Base-Backbone interact. energy: -1.265 local terms energy: -278.257110 where: bonds (distance) C4'-P energy: -58.111 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -37.496 tors. eta vs tors. theta energy: -61.543 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: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -690.437614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.437614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.437614 (E_RNA) where: Base-Base interactions energy: -416.285 where: short stacking energy: -200.246 Base-Backbone interact. energy: -0.583 local terms energy: -273.570258 where: bonds (distance) C4'-P energy: -59.452 bonds (distance) P-C4' energy: -60.544 flat angles C4'-P-C4' energy: -72.599 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -44.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -571.521908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.521908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.521908 (E_RNA) where: Base-Base interactions energy: -333.899 where: short stacking energy: -172.631 Base-Backbone interact. energy: 3.642 local terms energy: -241.265034 where: bonds (distance) C4'-P energy: -57.806 bonds (distance) P-C4' energy: -66.987 flat angles C4'-P-C4' energy: -50.380 flat angles P-C4'-P energy: -32.082 tors. eta vs tors. theta energy: -34.011 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: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -354.335353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.335353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.335353 (E_RNA) where: Base-Base interactions energy: -154.951 where: short stacking energy: -126.629 Base-Backbone interact. energy: -1.843 local terms energy: -197.541554 where: bonds (distance) C4'-P energy: -56.110 bonds (distance) P-C4' energy: -62.583 flat angles C4'-P-C4' energy: -51.492 flat angles P-C4'-P energy: -26.977 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -347.594749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.594749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.594749 (E_RNA) where: Base-Base interactions energy: -149.170 where: short stacking energy: -89.110 Base-Backbone interact. energy: -2.037 local terms energy: -196.388248 where: bonds (distance) C4'-P energy: -59.381 bonds (distance) P-C4' energy: -50.905 flat angles C4'-P-C4' energy: -54.482 flat angles P-C4'-P energy: -36.090 tors. eta vs tors. theta energy: 4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1120.395650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.395650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.395650 (E_RNA) where: Base-Base interactions energy: -766.212 where: short stacking energy: -333.340 Base-Backbone interact. energy: -1.424 local terms energy: -352.760279 where: bonds (distance) C4'-P energy: -53.043 bonds (distance) P-C4' energy: -77.515 flat angles C4'-P-C4' energy: -74.313 flat angles P-C4'-P energy: -56.117 tors. eta vs tors. theta energy: -91.772 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1071.254188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.254188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.254188 (E_RNA) where: Base-Base interactions energy: -708.322 where: short stacking energy: -329.394 Base-Backbone interact. energy: -2.177 local terms energy: -360.755278 where: bonds (distance) C4'-P energy: -64.882 bonds (distance) P-C4' energy: -72.531 flat angles C4'-P-C4' energy: -68.838 flat angles P-C4'-P energy: -57.711 tors. eta vs tors. theta energy: -96.793 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: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1007.707529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.707529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.707529 (E_RNA) where: Base-Base interactions energy: -701.047 where: short stacking energy: -310.649 Base-Backbone interact. energy: -1.413 local terms energy: -305.248151 where: bonds (distance) C4'-P energy: -51.591 bonds (distance) P-C4' energy: -53.177 flat angles C4'-P-C4' energy: -75.352 flat angles P-C4'-P energy: -48.521 tors. eta vs tors. theta energy: -76.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -920.790118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.790118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.790118 (E_RNA) where: Base-Base interactions energy: -615.490 where: short stacking energy: -266.411 Base-Backbone interact. energy: 0.717 local terms energy: -306.017913 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -62.820 flat angles C4'-P-C4' energy: -76.022 flat angles P-C4'-P energy: -46.286 tors. eta vs tors. theta energy: -64.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -893.051761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.051761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.051761 (E_RNA) where: Base-Base interactions energy: -576.216 where: short stacking energy: -271.406 Base-Backbone interact. energy: -0.979 local terms energy: -315.856886 where: bonds (distance) C4'-P energy: -54.906 bonds (distance) P-C4' energy: -67.082 flat angles C4'-P-C4' energy: -69.347 flat angles P-C4'-P energy: -48.312 tors. eta vs tors. theta energy: -76.209 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: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -818.420664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.420664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.420664 (E_RNA) where: Base-Base interactions energy: -520.699 where: short stacking energy: -225.712 Base-Backbone interact. energy: -0.411 local terms energy: -297.311223 where: bonds (distance) C4'-P energy: -69.512 bonds (distance) P-C4' energy: -55.688 flat angles C4'-P-C4' energy: -62.260 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -63.897 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: 248 Temperature: 1.200000 Total energy: -651.766273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.766273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.766273 (E_RNA) where: Base-Base interactions energy: -389.537 where: short stacking energy: -202.659 Base-Backbone interact. energy: -0.913 local terms energy: -261.315961 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -64.664 flat angles C4'-P-C4' energy: -60.455 flat angles P-C4'-P energy: -32.690 tors. eta vs tors. theta energy: -40.817 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: 248 Temperature: 1.250000 Total energy: -565.339480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.339480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.339480 (E_RNA) where: Base-Base interactions energy: -329.757 where: short stacking energy: -171.420 Base-Backbone interact. energy: -0.958 local terms energy: -234.624677 where: bonds (distance) C4'-P energy: -52.151 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -52.796 flat angles P-C4'-P energy: -31.924 tors. eta vs tors. theta energy: -37.716 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: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -308.891821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.891821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.891821 (E_RNA) where: Base-Base interactions energy: -110.593 where: short stacking energy: -80.552 Base-Backbone interact. energy: -0.592 local terms energy: -197.707191 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -69.943 flat angles C4'-P-C4' energy: -51.672 flat angles P-C4'-P energy: -27.904 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: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -314.748037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.748037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.748037 (E_RNA) where: Base-Base interactions energy: -136.838 where: short stacking energy: -98.561 Base-Backbone interact. energy: 5.503 local terms energy: -183.413068 where: bonds (distance) C4'-P energy: -59.826 bonds (distance) P-C4' energy: -50.198 flat angles C4'-P-C4' energy: -47.463 flat angles P-C4'-P energy: -28.671 tors. eta vs tors. theta energy: 2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1123.856020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.856020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.856020 (E_RNA) where: Base-Base interactions energy: -775.086 where: short stacking energy: -322.295 Base-Backbone interact. energy: -0.467 local terms energy: -348.302876 where: bonds (distance) C4'-P energy: -74.984 bonds (distance) P-C4' energy: -59.085 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -88.561 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: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1100.727136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.727136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.727136 (E_RNA) where: Base-Base interactions energy: -728.094 where: short stacking energy: -343.025 Base-Backbone interact. energy: 1.075 local terms energy: -373.707870 where: bonds (distance) C4'-P energy: -59.079 bonds (distance) P-C4' energy: -72.018 flat angles C4'-P-C4' energy: -75.115 flat angles P-C4'-P energy: -56.560 tors. eta vs tors. theta energy: -110.936 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: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1006.844368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.844368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.844368 (E_RNA) where: Base-Base interactions energy: -683.945 where: short stacking energy: -297.266 Base-Backbone interact. energy: -1.783 local terms energy: -321.116432 where: bonds (distance) C4'-P energy: -53.085 bonds (distance) P-C4' energy: -65.788 flat angles C4'-P-C4' energy: -76.417 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -79.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -923.344079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.344079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.344079 (E_RNA) where: Base-Base interactions energy: -592.167 where: short stacking energy: -263.163 Base-Backbone interact. energy: -2.378 local terms energy: -328.798545 where: bonds (distance) C4'-P energy: -70.091 bonds (distance) P-C4' energy: -58.764 flat angles C4'-P-C4' energy: -71.832 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: -76.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -865.781035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.781035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.781035 (E_RNA) where: Base-Base interactions energy: -549.204 where: short stacking energy: -275.933 Base-Backbone interact. energy: -0.554 local terms energy: -316.023169 where: bonds (distance) C4'-P energy: -61.753 bonds (distance) P-C4' energy: -67.252 flat angles C4'-P-C4' energy: -66.931 flat angles P-C4'-P energy: -47.917 tors. eta vs tors. theta energy: -72.170 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: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -832.028826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.028826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.028826 (E_RNA) where: Base-Base interactions energy: -544.033 where: short stacking energy: -226.014 Base-Backbone interact. energy: -0.160 local terms energy: -287.835322 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -68.477 flat angles P-C4'-P energy: -38.475 tors. eta vs tors. theta energy: -59.427 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: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -657.869826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.869826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.869826 (E_RNA) where: Base-Base interactions energy: -397.089 where: short stacking energy: -194.510 Base-Backbone interact. energy: -1.579 local terms energy: -259.201344 where: bonds (distance) C4'-P energy: -47.332 bonds (distance) P-C4' energy: -68.941 flat angles C4'-P-C4' energy: -56.711 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -41.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -568.361985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.361985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.361985 (E_RNA) where: Base-Base interactions energy: -329.568 where: short stacking energy: -138.776 Base-Backbone interact. energy: 0.863 local terms energy: -239.656638 where: bonds (distance) C4'-P energy: -59.481 bonds (distance) P-C4' energy: -64.957 flat angles C4'-P-C4' energy: -57.956 flat angles P-C4'-P energy: -36.743 tors. eta vs tors. theta energy: -20.519 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: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -303.367523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.367523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.367523 (E_RNA) where: Base-Base interactions energy: -107.549 where: short stacking energy: -86.355 Base-Backbone interact. energy: 0.110 local terms energy: -195.929054 where: bonds (distance) C4'-P energy: -55.809 bonds (distance) P-C4' energy: -57.630 flat angles C4'-P-C4' energy: -53.058 flat angles P-C4'-P energy: -36.454 tors. eta vs tors. theta energy: 7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -331.205794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.205794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.205794 (E_RNA) where: Base-Base interactions energy: -141.678 where: short stacking energy: -90.504 Base-Backbone interact. energy: 2.853 local terms energy: -192.381364 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -42.318 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: 4.548 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: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1132.472466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.472466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.472466 (E_RNA) where: Base-Base interactions energy: -770.452 where: short stacking energy: -328.347 Base-Backbone interact. energy: -1.458 local terms energy: -360.562952 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -58.098 flat angles C4'-P-C4' energy: -77.261 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -92.919 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: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1089.701122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.701122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.701122 (E_RNA) where: Base-Base interactions energy: -719.540 where: short stacking energy: -337.457 Base-Backbone interact. energy: -1.562 local terms energy: -368.598736 where: bonds (distance) C4'-P energy: -69.438 bonds (distance) P-C4' energy: -75.865 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -101.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1026.326941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.326941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.326941 (E_RNA) where: Base-Base interactions energy: -680.505 where: short stacking energy: -311.514 Base-Backbone interact. energy: -1.898 local terms energy: -343.923882 where: bonds (distance) C4'-P energy: -64.850 bonds (distance) P-C4' energy: -69.754 flat angles C4'-P-C4' energy: -77.283 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -90.008 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: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -925.293367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.293367 (E_RNA) where: Base-Base interactions energy: -608.209 where: short stacking energy: -264.869 Base-Backbone interact. energy: -1.219 local terms energy: -315.865714 where: bonds (distance) C4'-P energy: -62.645 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -69.837 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -69.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -883.219886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.219886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.219886 (E_RNA) where: Base-Base interactions energy: -581.893 where: short stacking energy: -272.554 Base-Backbone interact. energy: -1.141 local terms energy: -300.185781 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -72.285 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -74.626 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: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -785.623894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.623894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.623894 (E_RNA) where: Base-Base interactions energy: -505.719 where: short stacking energy: -215.580 Base-Backbone interact. energy: -1.642 local terms energy: -278.262898 where: bonds (distance) C4'-P energy: -60.263 bonds (distance) P-C4' energy: -65.354 flat angles C4'-P-C4' energy: -63.303 flat angles P-C4'-P energy: -34.403 tors. eta vs tors. theta energy: -54.940 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: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -696.296490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.296490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.296490 (E_RNA) where: Base-Base interactions energy: -426.027 where: short stacking energy: -207.717 Base-Backbone interact. energy: -1.647 local terms energy: -268.622915 where: bonds (distance) C4'-P energy: -56.361 bonds (distance) P-C4' energy: -71.610 flat angles C4'-P-C4' energy: -57.540 flat angles P-C4'-P energy: -30.801 tors. eta vs tors. theta energy: -52.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -577.568619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.568619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.568619 (E_RNA) where: Base-Base interactions energy: -332.841 where: short stacking energy: -171.395 Base-Backbone interact. energy: -1.826 local terms energy: -242.902046 where: bonds (distance) C4'-P energy: -48.369 bonds (distance) P-C4' energy: -61.846 flat angles C4'-P-C4' energy: -65.714 flat angles P-C4'-P energy: -38.593 tors. eta vs tors. theta energy: -28.380 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: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -300.109680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.109680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.109680 (E_RNA) where: Base-Base interactions energy: -112.869 where: short stacking energy: -81.509 Base-Backbone interact. energy: 3.210 local terms energy: -190.449971 where: bonds (distance) C4'-P energy: -48.346 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -50.923 flat angles P-C4'-P energy: -34.667 tors. eta vs tors. theta energy: 2.880 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: 10, replica: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -297.293135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.293135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.293135 (E_RNA) where: Base-Base interactions energy: -101.095 where: short stacking energy: -87.886 Base-Backbone interact. energy: 2.074 local terms energy: -198.272614 where: bonds (distance) C4'-P energy: -62.404 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -53.041 flat angles P-C4'-P energy: -29.614 tors. eta vs tors. theta energy: 12.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1135.033280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.033280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.033280 (E_RNA) where: Base-Base interactions energy: -776.448 where: short stacking energy: -326.349 Base-Backbone interact. energy: -1.744 local terms energy: -356.841306 where: bonds (distance) C4'-P energy: -65.861 bonds (distance) P-C4' energy: -71.814 flat angles C4'-P-C4' energy: -83.563 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -88.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1071.352993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.352993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.352993 (E_RNA) where: Base-Base interactions energy: -713.694 where: short stacking energy: -321.556 Base-Backbone interact. energy: -1.083 local terms energy: -356.575669 where: bonds (distance) C4'-P energy: -73.674 bonds (distance) P-C4' energy: -73.897 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -47.973 tors. eta vs tors. theta energy: -89.485 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: 3, replica: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1011.592627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.592627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.592627 (E_RNA) where: Base-Base interactions energy: -664.729 where: short stacking energy: -301.320 Base-Backbone interact. energy: -0.591 local terms energy: -346.272536 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -91.295 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: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -942.273135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.273135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.273135 (E_RNA) where: Base-Base interactions energy: -615.290 where: short stacking energy: -281.518 Base-Backbone interact. energy: 0.162 local terms energy: -327.145850 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -63.581 flat angles C4'-P-C4' energy: -75.263 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -80.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -876.763098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.763098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.763098 (E_RNA) where: Base-Base interactions energy: -573.168 where: short stacking energy: -278.005 Base-Backbone interact. energy: -3.537 local terms energy: -300.057947 where: bonds (distance) C4'-P energy: -46.215 bonds (distance) P-C4' energy: -59.549 flat angles C4'-P-C4' energy: -77.447 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -77.482 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: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -804.042758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.042758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.042758 (E_RNA) where: Base-Base interactions energy: -541.393 where: short stacking energy: -236.005 Base-Backbone interact. energy: -0.540 local terms energy: -262.109667 where: bonds (distance) C4'-P energy: -48.561 bonds (distance) P-C4' energy: -61.677 flat angles C4'-P-C4' energy: -54.817 flat angles P-C4'-P energy: -38.737 tors. eta vs tors. theta energy: -58.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -686.951358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.951358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.951358 (E_RNA) where: Base-Base interactions energy: -429.478 where: short stacking energy: -197.184 Base-Backbone interact. energy: -1.199 local terms energy: -256.274617 where: bonds (distance) C4'-P energy: -50.241 bonds (distance) P-C4' energy: -60.393 flat angles C4'-P-C4' energy: -66.783 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: -38.224 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: 251 Temperature: 1.250000 Total energy: -604.984162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.984162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.984162 (E_RNA) where: Base-Base interactions energy: -366.376 where: short stacking energy: -177.126 Base-Backbone interact. energy: 0.022 local terms energy: -238.630372 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -46.146 flat angles C4'-P-C4' energy: -57.846 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: -34.956 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: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -310.215668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.215668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.215668 (E_RNA) where: Base-Base interactions energy: -130.024 where: short stacking energy: -77.372 Base-Backbone interact. energy: 1.186 local terms energy: -181.378252 where: bonds (distance) C4'-P energy: -56.245 bonds (distance) P-C4' energy: -60.533 flat angles C4'-P-C4' energy: -50.378 flat angles P-C4'-P energy: -27.258 tors. eta vs tors. theta energy: 13.035 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: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -286.002317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.002317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.002317 (E_RNA) where: Base-Base interactions energy: -96.227 where: short stacking energy: -83.028 Base-Backbone interact. energy: -1.899 local terms energy: -187.876428 where: bonds (distance) C4'-P energy: -46.954 bonds (distance) P-C4' energy: -55.822 flat angles C4'-P-C4' energy: -54.941 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: 13.304 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: 252 Temperature: 0.900000 Total energy: -1127.724594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.724594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.724594 (E_RNA) where: Base-Base interactions energy: -752.906 where: short stacking energy: -333.056 Base-Backbone interact. energy: -2.406 local terms energy: -372.412711 where: bonds (distance) C4'-P energy: -75.603 bonds (distance) P-C4' energy: -69.967 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -61.408 tors. eta vs tors. theta energy: -93.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1072.944793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.944793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.944793 (E_RNA) where: Base-Base interactions energy: -718.232 where: short stacking energy: -326.318 Base-Backbone interact. energy: -3.473 local terms energy: -351.239422 where: bonds (distance) C4'-P energy: -63.178 bonds (distance) P-C4' energy: -73.282 flat angles C4'-P-C4' energy: -77.095 flat angles P-C4'-P energy: -40.825 tors. eta vs tors. theta energy: -96.859 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: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1028.865932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.865932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.865932 (E_RNA) where: Base-Base interactions energy: -690.237 where: short stacking energy: -320.967 Base-Backbone interact. energy: -0.387 local terms energy: -338.242537 where: bonds (distance) C4'-P energy: -67.898 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -72.446 flat angles P-C4'-P energy: -43.471 tors. eta vs tors. theta energy: -90.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -913.767251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.767251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.767251 (E_RNA) where: Base-Base interactions energy: -586.281 where: short stacking energy: -272.713 Base-Backbone interact. energy: -0.786 local terms energy: -326.699608 where: bonds (distance) C4'-P energy: -71.201 bonds (distance) P-C4' energy: -69.650 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -48.181 tors. eta vs tors. theta energy: -73.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -861.891380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.891380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.891380 (E_RNA) where: Base-Base interactions energy: -575.974 where: short stacking energy: -265.825 Base-Backbone interact. energy: -1.014 local terms energy: -284.903511 where: bonds (distance) C4'-P energy: -53.228 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -30.329 tors. eta vs tors. theta energy: -69.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -754.839399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.839399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.839399 (E_RNA) where: Base-Base interactions energy: -484.774 where: short stacking energy: -209.982 Base-Backbone interact. energy: 0.381 local terms energy: -270.446436 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -59.266 flat angles C4'-P-C4' energy: -70.038 flat angles P-C4'-P energy: -34.302 tors. eta vs tors. theta energy: -47.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -665.823586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.823586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.823586 (E_RNA) where: Base-Base interactions energy: -421.146 where: short stacking energy: -220.882 Base-Backbone interact. energy: -0.644 local terms energy: -244.034510 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -48.900 flat angles C4'-P-C4' energy: -58.759 flat angles P-C4'-P energy: -34.132 tors. eta vs tors. theta energy: -43.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -647.855714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.855714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.855714 (E_RNA) where: Base-Base interactions energy: -405.593 where: short stacking energy: -167.887 Base-Backbone interact. energy: -0.174 local terms energy: -242.089025 where: bonds (distance) C4'-P energy: -44.486 bonds (distance) P-C4' energy: -62.421 flat angles C4'-P-C4' energy: -61.859 flat angles P-C4'-P energy: -37.527 tors. eta vs tors. theta energy: -35.796 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: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -318.614953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.614953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.614953 (E_RNA) where: Base-Base interactions energy: -123.053 where: short stacking energy: -82.075 Base-Backbone interact. energy: 5.220 local terms energy: -200.782451 where: bonds (distance) C4'-P energy: -66.098 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -51.941 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: 7.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -306.078246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.078246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.078246 (E_RNA) where: Base-Base interactions energy: -118.712 where: short stacking energy: -87.143 Base-Backbone interact. energy: 2.237 local terms energy: -189.603179 where: bonds (distance) C4'-P energy: -51.269 bonds (distance) P-C4' energy: -46.721 flat angles C4'-P-C4' energy: -57.090 flat angles P-C4'-P energy: -38.811 tors. eta vs tors. theta energy: 4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1134.651405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.651405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.651405 (E_RNA) where: Base-Base interactions energy: -760.174 where: short stacking energy: -335.205 Base-Backbone interact. energy: -2.341 local terms energy: -372.136471 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -80.669 flat angles C4'-P-C4' energy: -73.297 flat angles P-C4'-P energy: -52.939 tors. eta vs tors. theta energy: -100.132 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: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1081.706164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.706164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.706164 (E_RNA) where: Base-Base interactions energy: -714.692 where: short stacking energy: -324.475 Base-Backbone interact. energy: -2.523 local terms energy: -364.491557 where: bonds (distance) C4'-P energy: -68.000 bonds (distance) P-C4' energy: -69.837 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -54.236 tors. eta vs tors. theta energy: -100.024 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: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1020.667942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.667942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.667942 (E_RNA) where: Base-Base interactions energy: -671.673 where: short stacking energy: -296.172 Base-Backbone interact. energy: -1.216 local terms energy: -347.778856 where: bonds (distance) C4'-P energy: -70.609 bonds (distance) P-C4' energy: -66.075 flat angles C4'-P-C4' energy: -73.858 flat angles P-C4'-P energy: -50.487 tors. eta vs tors. theta energy: -86.750 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: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -903.692983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.692983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.692983 (E_RNA) where: Base-Base interactions energy: -585.385 where: short stacking energy: -282.354 Base-Backbone interact. energy: -1.061 local terms energy: -317.246798 where: bonds (distance) C4'-P energy: -59.751 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -74.241 flat angles P-C4'-P energy: -42.031 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: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -922.046393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.046393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.046393 (E_RNA) where: Base-Base interactions energy: -605.709 where: short stacking energy: -262.580 Base-Backbone interact. energy: -1.172 local terms energy: -315.164881 where: bonds (distance) C4'-P energy: -58.407 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: -68.887 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: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -783.569569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.569569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.569569 (E_RNA) where: Base-Base interactions energy: -491.625 where: short stacking energy: -195.961 Base-Backbone interact. energy: -2.076 local terms energy: -289.869107 where: bonds (distance) C4'-P energy: -67.069 bonds (distance) P-C4' energy: -78.133 flat angles C4'-P-C4' energy: -58.070 flat angles P-C4'-P energy: -37.962 tors. eta vs tors. theta energy: -48.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -687.617705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.617705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.617705 (E_RNA) where: Base-Base interactions energy: -437.645 where: short stacking energy: -213.587 Base-Backbone interact. energy: -0.922 local terms energy: -249.050072 where: bonds (distance) C4'-P energy: -59.870 bonds (distance) P-C4' energy: -47.500 flat angles C4'-P-C4' energy: -60.590 flat angles P-C4'-P energy: -33.489 tors. eta vs tors. theta energy: -47.600 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: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -574.419687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.419687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.419687 (E_RNA) where: Base-Base interactions energy: -329.966 where: short stacking energy: -165.270 Base-Backbone interact. energy: -1.784 local terms energy: -242.668731 where: bonds (distance) C4'-P energy: -60.269 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -55.677 flat angles P-C4'-P energy: -31.353 tors. eta vs tors. theta energy: -36.815 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: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -291.631876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.631876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.631876 (E_RNA) where: Base-Base interactions energy: -113.328 where: short stacking energy: -86.294 Base-Backbone interact. energy: -0.340 local terms energy: -177.963205 where: bonds (distance) C4'-P energy: -63.697 bonds (distance) P-C4' energy: -64.277 flat angles C4'-P-C4' energy: -36.678 flat angles P-C4'-P energy: -27.431 tors. eta vs tors. theta energy: 14.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -292.406397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.406397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.406397 (E_RNA) where: Base-Base interactions energy: -124.420 where: short stacking energy: -82.685 Base-Backbone interact. energy: 2.816 local terms energy: -170.802400 where: bonds (distance) C4'-P energy: -50.366 bonds (distance) P-C4' energy: -60.844 flat angles C4'-P-C4' energy: -46.906 flat angles P-C4'-P energy: -31.679 tors. eta vs tors. theta energy: 18.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1122.582487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.582487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.582487 (E_RNA) where: Base-Base interactions energy: -737.788 where: short stacking energy: -332.118 Base-Backbone interact. energy: -1.525 local terms energy: -383.270254 where: bonds (distance) C4'-P energy: -77.057 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -77.683 flat angles P-C4'-P energy: -50.535 tors. eta vs tors. theta energy: -99.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1068.666453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.666453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.666453 (E_RNA) where: Base-Base interactions energy: -703.935 where: short stacking energy: -351.623 Base-Backbone interact. energy: -1.738 local terms energy: -362.993749 where: bonds (distance) C4'-P energy: -56.816 bonds (distance) P-C4' energy: -66.673 flat angles C4'-P-C4' energy: -80.209 flat angles P-C4'-P energy: -58.844 tors. eta vs tors. theta energy: -100.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1018.247543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.247543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.247543 (E_RNA) where: Base-Base interactions energy: -684.469 where: short stacking energy: -310.816 Base-Backbone interact. energy: -3.210 local terms energy: -330.568685 where: bonds (distance) C4'-P energy: -62.410 bonds (distance) P-C4' energy: -60.105 flat angles C4'-P-C4' energy: -68.544 flat angles P-C4'-P energy: -53.659 tors. eta vs tors. theta energy: -85.851 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: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -918.218371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.218371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.218371 (E_RNA) where: Base-Base interactions energy: -590.099 where: short stacking energy: -265.588 Base-Backbone interact. energy: 0.931 local terms energy: -329.050153 where: bonds (distance) C4'-P energy: -60.844 bonds (distance) P-C4' energy: -74.978 flat angles C4'-P-C4' energy: -68.570 flat angles P-C4'-P energy: -50.266 tors. eta vs tors. theta energy: -74.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -881.176440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.176440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.176440 (E_RNA) where: Base-Base interactions energy: -586.760 where: short stacking energy: -280.422 Base-Backbone interact. energy: -0.396 local terms energy: -294.020116 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -50.429 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -49.883 tors. eta vs tors. theta energy: -69.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -772.717441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.717441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.717441 (E_RNA) where: Base-Base interactions energy: -498.355 where: short stacking energy: -240.233 Base-Backbone interact. energy: 1.042 local terms energy: -275.404418 where: bonds (distance) C4'-P energy: -48.742 bonds (distance) P-C4' energy: -61.205 flat angles C4'-P-C4' energy: -66.121 flat angles P-C4'-P energy: -32.503 tors. eta vs tors. theta energy: -66.833 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -715.797064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.797064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.797064 (E_RNA) where: Base-Base interactions energy: -440.313 where: short stacking energy: -188.437 Base-Backbone interact. energy: -2.282 local terms energy: -273.202466 where: bonds (distance) C4'-P energy: -60.777 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -63.394 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -41.945 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: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -580.372266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.372266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.372266 (E_RNA) where: Base-Base interactions energy: -330.480 where: short stacking energy: -188.758 Base-Backbone interact. energy: 0.789 local terms energy: -250.680975 where: bonds (distance) C4'-P energy: -61.728 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -55.660 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -35.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -321.627037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.627037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.627037 (E_RNA) where: Base-Base interactions energy: -117.412 where: short stacking energy: -101.287 Base-Backbone interact. energy: -0.731 local terms energy: -203.483739 where: bonds (distance) C4'-P energy: -58.282 bonds (distance) P-C4' energy: -69.332 flat angles C4'-P-C4' energy: -51.307 flat angles P-C4'-P energy: -24.568 tors. eta vs tors. theta energy: 0.005 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: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -277.373104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.373104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.373104 (E_RNA) where: Base-Base interactions energy: -110.510 where: short stacking energy: -73.174 Base-Backbone interact. energy: -1.059 local terms energy: -165.804284 where: bonds (distance) C4'-P energy: -38.114 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -54.522 flat angles P-C4'-P energy: -25.813 tors. eta vs tors. theta energy: 9.441 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: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1145.199967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.199967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.199967 (E_RNA) where: Base-Base interactions energy: -769.397 where: short stacking energy: -333.409 Base-Backbone interact. energy: -2.847 local terms energy: -372.956276 where: bonds (distance) C4'-P energy: -65.129 bonds (distance) P-C4' energy: -73.232 flat angles C4'-P-C4' energy: -82.876 flat angles P-C4'-P energy: -53.233 tors. eta vs tors. theta energy: -98.486 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1074.438803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.438803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.438803 (E_RNA) where: Base-Base interactions energy: -698.674 where: short stacking energy: -335.960 Base-Backbone interact. energy: -2.355 local terms energy: -373.409952 where: bonds (distance) C4'-P energy: -69.560 bonds (distance) P-C4' energy: -72.761 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -54.929 tors. eta vs tors. theta energy: -102.490 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: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1025.902264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.902264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.902264 (E_RNA) where: Base-Base interactions energy: -690.752 where: short stacking energy: -314.560 Base-Backbone interact. energy: -0.653 local terms energy: -334.497242 where: bonds (distance) C4'-P energy: -63.350 bonds (distance) P-C4' energy: -62.506 flat angles C4'-P-C4' energy: -83.666 flat angles P-C4'-P energy: -44.746 tors. eta vs tors. theta energy: -80.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -930.379314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.379314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.379314 (E_RNA) where: Base-Base interactions energy: -605.397 where: short stacking energy: -286.212 Base-Backbone interact. energy: -1.280 local terms energy: -323.701997 where: bonds (distance) C4'-P energy: -52.917 bonds (distance) P-C4' energy: -66.640 flat angles C4'-P-C4' energy: -82.329 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -73.355 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: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -871.063046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.063046 (E_RNA) where: Base-Base interactions energy: -553.986 where: short stacking energy: -255.284 Base-Backbone interact. energy: -1.897 local terms energy: -315.180235 where: bonds (distance) C4'-P energy: -51.687 bonds (distance) P-C4' energy: -76.877 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -48.679 tors. eta vs tors. theta energy: -70.569 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: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -784.621502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.621502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.621502 (E_RNA) where: Base-Base interactions energy: -501.128 where: short stacking energy: -251.111 Base-Backbone interact. energy: 0.747 local terms energy: -284.241013 where: bonds (distance) C4'-P energy: -58.300 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -35.009 tors. eta vs tors. theta energy: -62.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -748.562810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.562810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.562810 (E_RNA) where: Base-Base interactions energy: -474.119 where: short stacking energy: -225.712 Base-Backbone interact. energy: -0.763 local terms energy: -273.680874 where: bonds (distance) C4'-P energy: -53.632 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -60.108 flat angles P-C4'-P energy: -43.669 tors. eta vs tors. theta energy: -54.738 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: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -532.746553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.746553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.746553 (E_RNA) where: Base-Base interactions energy: -294.234 where: short stacking energy: -140.424 Base-Backbone interact. energy: -0.570 local terms energy: -237.941809 where: bonds (distance) C4'-P energy: -63.637 bonds (distance) P-C4' energy: -59.379 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -33.700 tors. eta vs tors. theta energy: -21.402 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: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -315.459268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.459268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.459268 (E_RNA) where: Base-Base interactions energy: -123.730 where: short stacking energy: -112.658 Base-Backbone interact. energy: 0.270 local terms energy: -191.999637 where: bonds (distance) C4'-P energy: -48.970 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -41.153 flat angles P-C4'-P energy: -36.305 tors. eta vs tors. theta energy: -8.427 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: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -314.201274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.201274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.201274 (E_RNA) where: Base-Base interactions energy: -123.339 where: short stacking energy: -80.794 Base-Backbone interact. energy: -1.231 local terms energy: -189.631779 where: bonds (distance) C4'-P energy: -53.589 bonds (distance) P-C4' energy: -62.900 flat angles C4'-P-C4' energy: -55.581 flat angles P-C4'-P energy: -32.239 tors. eta vs tors. theta energy: 14.676 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: 1, replica: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1125.799050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.799050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.799050 (E_RNA) where: Base-Base interactions energy: -761.128 where: short stacking energy: -329.629 Base-Backbone interact. energy: -2.089 local terms energy: -362.581653 where: bonds (distance) C4'-P energy: -63.035 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -83.863 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -92.728 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: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1077.749963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.749963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.749963 (E_RNA) where: Base-Base interactions energy: -723.181 where: short stacking energy: -322.036 Base-Backbone interact. energy: -3.036 local terms energy: -351.532854 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -64.810 flat angles C4'-P-C4' energy: -78.490 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -93.926 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: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1033.150743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.150743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.150743 (E_RNA) where: Base-Base interactions energy: -685.627 where: short stacking energy: -303.893 Base-Backbone interact. energy: -0.238 local terms energy: -347.285696 where: bonds (distance) C4'-P energy: -69.571 bonds (distance) P-C4' energy: -64.044 flat angles C4'-P-C4' energy: -71.220 flat angles P-C4'-P energy: -52.712 tors. eta vs tors. theta energy: -89.739 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: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -936.807275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.807275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.807275 (E_RNA) where: Base-Base interactions energy: -610.075 where: short stacking energy: -284.804 Base-Backbone interact. energy: 0.508 local terms energy: -327.239930 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -62.815 flat angles C4'-P-C4' energy: -80.422 flat angles P-C4'-P energy: -40.287 tors. eta vs tors. theta energy: -81.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -910.016355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.016355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.016355 (E_RNA) where: Base-Base interactions energy: -580.063 where: short stacking energy: -261.643 Base-Backbone interact. energy: -2.516 local terms energy: -327.436388 where: bonds (distance) C4'-P energy: -68.070 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -73.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -760.214805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.214805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.214805 (E_RNA) where: Base-Base interactions energy: -470.518 where: short stacking energy: -223.747 Base-Backbone interact. energy: -2.178 local terms energy: -287.518510 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -57.978 flat angles P-C4'-P energy: -45.983 tors. eta vs tors. theta energy: -54.346 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: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -748.027766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.027766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.027766 (E_RNA) where: Base-Base interactions energy: -471.545 where: short stacking energy: -196.674 Base-Backbone interact. energy: 3.350 local terms energy: -279.832831 where: bonds (distance) C4'-P energy: -53.894 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -47.640 tors. eta vs tors. theta energy: -48.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -542.714931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.714931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.714931 (E_RNA) where: Base-Base interactions energy: -315.389 where: short stacking energy: -150.903 Base-Backbone interact. energy: 0.508 local terms energy: -227.833461 where: bonds (distance) C4'-P energy: -52.217 bonds (distance) P-C4' energy: -59.705 flat angles C4'-P-C4' energy: -50.894 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -20.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -318.871817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.871817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.871817 (E_RNA) where: Base-Base interactions energy: -99.805 where: short stacking energy: -72.998 Base-Backbone interact. energy: -1.572 local terms energy: -217.495528 where: bonds (distance) C4'-P energy: -65.919 bonds (distance) P-C4' energy: -67.250 flat angles C4'-P-C4' energy: -47.686 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: 7.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -284.572276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.572276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.572276 (E_RNA) where: Base-Base interactions energy: -82.673 where: short stacking energy: -81.442 Base-Backbone interact. energy: -0.396 local terms energy: -201.503199 where: bonds (distance) C4'-P energy: -68.584 bonds (distance) P-C4' energy: -53.432 flat angles C4'-P-C4' energy: -42.557 flat angles P-C4'-P energy: -40.556 tors. eta vs tors. theta energy: 3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1126.873894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.873894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.873894 (E_RNA) where: Base-Base interactions energy: -772.555 where: short stacking energy: -328.736 Base-Backbone interact. energy: -0.196 local terms energy: -354.123193 where: bonds (distance) C4'-P energy: -63.572 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -73.891 flat angles P-C4'-P energy: -51.260 tors. eta vs tors. theta energy: -96.295 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: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1090.833545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.833545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.833545 (E_RNA) where: Base-Base interactions energy: -743.541 where: short stacking energy: -335.702 Base-Backbone interact. energy: -2.890 local terms energy: -344.402618 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -73.960 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -90.395 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: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1050.245647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.245647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.245647 (E_RNA) where: Base-Base interactions energy: -687.099 where: short stacking energy: -315.336 Base-Backbone interact. energy: -0.389 local terms energy: -362.756994 where: bonds (distance) C4'-P energy: -73.495 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -81.839 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: -87.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -908.189016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.189016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.189016 (E_RNA) where: Base-Base interactions energy: -603.353 where: short stacking energy: -265.550 Base-Backbone interact. energy: -2.234 local terms energy: -302.601508 where: bonds (distance) C4'-P energy: -62.413 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -42.395 tors. eta vs tors. theta energy: -63.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -899.832288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.832288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.832288 (E_RNA) where: Base-Base interactions energy: -596.549 where: short stacking energy: -273.294 Base-Backbone interact. energy: -0.119 local terms energy: -303.164238 where: bonds (distance) C4'-P energy: -53.063 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -66.099 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: -77.627 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: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -804.761441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.761441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.761441 (E_RNA) where: Base-Base interactions energy: -520.884 where: short stacking energy: -248.970 Base-Backbone interact. energy: -0.096 local terms energy: -283.781153 where: bonds (distance) C4'-P energy: -53.610 bonds (distance) P-C4' energy: -66.357 flat angles C4'-P-C4' energy: -58.211 flat angles P-C4'-P energy: -44.376 tors. eta vs tors. theta energy: -61.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -720.812671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.812671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.812671 (E_RNA) where: Base-Base interactions energy: -452.440 where: short stacking energy: -224.595 Base-Backbone interact. energy: -0.572 local terms energy: -267.800946 where: bonds (distance) C4'-P energy: -42.402 bonds (distance) P-C4' energy: -57.022 flat angles C4'-P-C4' energy: -71.741 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -57.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -514.504378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.504378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.504378 (E_RNA) where: Base-Base interactions energy: -295.898 where: short stacking energy: -138.526 Base-Backbone interact. energy: 1.008 local terms energy: -219.614138 where: bonds (distance) C4'-P energy: -61.059 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -49.191 flat angles P-C4'-P energy: -30.122 tors. eta vs tors. theta energy: -18.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -296.511547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.511547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.511547 (E_RNA) where: Base-Base interactions energy: -90.776 where: short stacking energy: -77.898 Base-Backbone interact. energy: -2.430 local terms energy: -203.305175 where: bonds (distance) C4'-P energy: -53.256 bonds (distance) P-C4' energy: -66.837 flat angles C4'-P-C4' energy: -65.398 flat angles P-C4'-P energy: -25.549 tors. eta vs tors. theta energy: 7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -277.125582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.125582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.125582 (E_RNA) where: Base-Base interactions energy: -105.365 where: short stacking energy: -98.293 Base-Backbone interact. energy: -3.751 local terms energy: -168.009838 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -23.724 flat angles P-C4'-P energy: -27.349 tors. eta vs tors. theta energy: 10.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1130.644050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.644050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.644050 (E_RNA) where: Base-Base interactions energy: -771.152 where: short stacking energy: -335.914 Base-Backbone interact. energy: -2.439 local terms energy: -357.053330 where: bonds (distance) C4'-P energy: -66.127 bonds (distance) P-C4' energy: -71.587 flat angles C4'-P-C4' energy: -71.117 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: -97.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1062.578468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.578468 (E_RNA) where: Base-Base interactions energy: -705.337 where: short stacking energy: -320.136 Base-Backbone interact. energy: 3.443 local terms energy: -360.684406 where: bonds (distance) C4'-P energy: -79.119 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -79.980 flat angles P-C4'-P energy: -44.012 tors. eta vs tors. theta energy: -89.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1022.130242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.130242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.130242 (E_RNA) where: Base-Base interactions energy: -691.497 where: short stacking energy: -314.079 Base-Backbone interact. energy: -0.133 local terms energy: -330.500885 where: bonds (distance) C4'-P energy: -62.353 bonds (distance) P-C4' energy: -57.574 flat angles C4'-P-C4' energy: -68.114 flat angles P-C4'-P energy: -51.755 tors. eta vs tors. theta energy: -90.705 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: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -942.637692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.637692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.637692 (E_RNA) where: Base-Base interactions energy: -607.120 where: short stacking energy: -266.493 Base-Backbone interact. energy: -3.210 local terms energy: -332.307769 where: bonds (distance) C4'-P energy: -61.425 bonds (distance) P-C4' energy: -77.846 flat angles C4'-P-C4' energy: -79.125 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: -74.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -910.588769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.588769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.588769 (E_RNA) where: Base-Base interactions energy: -589.396 where: short stacking energy: -253.853 Base-Backbone interact. energy: 0.270 local terms energy: -321.463187 where: bonds (distance) C4'-P energy: -65.675 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -54.198 tors. eta vs tors. theta energy: -70.718 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: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -774.648848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.648848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.648848 (E_RNA) where: Base-Base interactions energy: -509.747 where: short stacking energy: -216.674 Base-Backbone interact. energy: -2.387 local terms energy: -262.514115 where: bonds (distance) C4'-P energy: -61.698 bonds (distance) P-C4' energy: -50.661 flat angles C4'-P-C4' energy: -60.617 flat angles P-C4'-P energy: -39.615 tors. eta vs tors. theta energy: -49.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -726.189194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.189194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.189194 (E_RNA) where: Base-Base interactions energy: -437.663 where: short stacking energy: -205.218 Base-Backbone interact. energy: 1.074 local terms energy: -289.600890 where: bonds (distance) C4'-P energy: -60.889 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -75.715 flat angles P-C4'-P energy: -43.556 tors. eta vs tors. theta energy: -40.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -559.798733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.798733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.798733 (E_RNA) where: Base-Base interactions energy: -325.330 where: short stacking energy: -162.150 Base-Backbone interact. energy: 5.484 local terms energy: -239.953299 where: bonds (distance) C4'-P energy: -59.777 bonds (distance) P-C4' energy: -55.929 flat angles C4'-P-C4' energy: -65.069 flat angles P-C4'-P energy: -34.793 tors. eta vs tors. theta energy: -24.385 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: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -306.774846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.774846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.774846 (E_RNA) where: Base-Base interactions energy: -116.748 where: short stacking energy: -99.323 Base-Backbone interact. energy: -0.997 local terms energy: -189.030546 where: bonds (distance) C4'-P energy: -62.830 bonds (distance) P-C4' energy: -59.411 flat angles C4'-P-C4' energy: -44.086 flat angles P-C4'-P energy: -19.432 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -307.791382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.791382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.791382 (E_RNA) where: Base-Base interactions energy: -102.197 where: short stacking energy: -95.052 Base-Backbone interact. energy: -1.799 local terms energy: -203.795512 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -56.537 flat angles C4'-P-C4' energy: -48.976 flat angles P-C4'-P energy: -32.949 tors. eta vs tors. theta energy: -11.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1128.867339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.867339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.867339 (E_RNA) where: Base-Base interactions energy: -758.586 where: short stacking energy: -319.270 Base-Backbone interact. energy: -0.726 local terms energy: -369.555533 where: bonds (distance) C4'-P energy: -61.797 bonds (distance) P-C4' energy: -72.516 flat angles C4'-P-C4' energy: -85.208 flat angles P-C4'-P energy: -53.849 tors. eta vs tors. theta energy: -96.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1065.135069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.135069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.135069 (E_RNA) where: Base-Base interactions energy: -720.280 where: short stacking energy: -316.766 Base-Backbone interact. energy: -1.410 local terms energy: -343.445322 where: bonds (distance) C4'-P energy: -65.684 bonds (distance) P-C4' energy: -54.143 flat angles C4'-P-C4' energy: -72.167 flat angles P-C4'-P energy: -56.891 tors. eta vs tors. theta energy: -94.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1053.793214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.793214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.793214 (E_RNA) where: Base-Base interactions energy: -704.991 where: short stacking energy: -309.933 Base-Backbone interact. energy: -0.739 local terms energy: -348.063298 where: bonds (distance) C4'-P energy: -68.966 bonds (distance) P-C4' energy: -71.771 flat angles C4'-P-C4' energy: -71.562 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -92.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -938.376227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.376227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.376227 (E_RNA) where: Base-Base interactions energy: -616.278 where: short stacking energy: -286.301 Base-Backbone interact. energy: -1.049 local terms energy: -321.049199 where: bonds (distance) C4'-P energy: -67.539 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -72.425 flat angles P-C4'-P energy: -43.817 tors. eta vs tors. theta energy: -78.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -905.735102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.735102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.735102 (E_RNA) where: Base-Base interactions energy: -609.690 where: short stacking energy: -269.779 Base-Backbone interact. energy: -1.107 local terms energy: -294.937286 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -50.183 flat angles P-C4'-P energy: -39.755 tors. eta vs tors. theta energy: -75.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -778.356525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.356525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.356525 (E_RNA) where: Base-Base interactions energy: -491.156 where: short stacking energy: -231.753 Base-Backbone interact. energy: -1.392 local terms energy: -285.808642 where: bonds (distance) C4'-P energy: -62.090 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -58.529 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: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -692.788462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.788462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.788462 (E_RNA) where: Base-Base interactions energy: -419.226 where: short stacking energy: -202.475 Base-Backbone interact. energy: -1.576 local terms energy: -271.986507 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -63.168 flat angles C4'-P-C4' energy: -60.557 flat angles P-C4'-P energy: -39.866 tors. eta vs tors. theta energy: -52.710 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -580.523005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.523005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.523005 (E_RNA) where: Base-Base interactions energy: -341.690 where: short stacking energy: -153.490 Base-Backbone interact. energy: 7.115 local terms energy: -245.947962 where: bonds (distance) C4'-P energy: -68.312 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -53.485 flat angles P-C4'-P energy: -39.793 tors. eta vs tors. theta energy: -19.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -310.449101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.449101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.449101 (E_RNA) where: Base-Base interactions energy: -128.024 where: short stacking energy: -117.926 Base-Backbone interact. energy: -1.263 local terms energy: -181.162277 where: bonds (distance) C4'-P energy: -46.029 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -56.086 flat angles P-C4'-P energy: -20.095 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -296.725487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.725487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.725487 (E_RNA) where: Base-Base interactions energy: -107.804 where: short stacking energy: -99.641 Base-Backbone interact. energy: 0.789 local terms energy: -189.711052 where: bonds (distance) C4'-P energy: -53.161 bonds (distance) P-C4' energy: -66.996 flat angles C4'-P-C4' energy: -49.725 flat angles P-C4'-P energy: -25.364 tors. eta vs tors. theta energy: 5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1120.435564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.435564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.435564 (E_RNA) where: Base-Base interactions energy: -766.769 where: short stacking energy: -340.543 Base-Backbone interact. energy: -1.918 local terms energy: -351.748247 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -77.287 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -94.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1074.444440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.444440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.444440 (E_RNA) where: Base-Base interactions energy: -717.902 where: short stacking energy: -334.553 Base-Backbone interact. energy: -2.138 local terms energy: -354.404800 where: bonds (distance) C4'-P energy: -60.387 bonds (distance) P-C4' energy: -71.355 flat angles C4'-P-C4' energy: -78.101 flat angles P-C4'-P energy: -51.434 tors. eta vs tors. theta energy: -93.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1023.391728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.391728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.391728 (E_RNA) where: Base-Base interactions energy: -689.982 where: short stacking energy: -296.341 Base-Backbone interact. energy: -1.186 local terms energy: -332.224004 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -74.261 flat angles P-C4'-P energy: -40.930 tors. eta vs tors. theta energy: -75.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -913.703708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.703708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.703708 (E_RNA) where: Base-Base interactions energy: -602.077 where: short stacking energy: -257.803 Base-Backbone interact. energy: -0.605 local terms energy: -311.021913 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -74.662 flat angles P-C4'-P energy: -45.085 tors. eta vs tors. theta energy: -67.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -892.876489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.876489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.876489 (E_RNA) where: Base-Base interactions energy: -556.236 where: short stacking energy: -255.826 Base-Backbone interact. energy: -0.592 local terms energy: -336.047993 where: bonds (distance) C4'-P energy: -70.422 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -69.531 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -68.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -789.220864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.220864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.220864 (E_RNA) where: Base-Base interactions energy: -520.912 where: short stacking energy: -256.280 Base-Backbone interact. energy: -0.738 local terms energy: -267.570872 where: bonds (distance) C4'-P energy: -54.274 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -63.012 flat angles P-C4'-P energy: -29.128 tors. eta vs tors. theta energy: -59.650 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: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -647.487110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.487110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.487110 (E_RNA) where: Base-Base interactions energy: -373.999 where: short stacking energy: -185.049 Base-Backbone interact. energy: 0.341 local terms energy: -273.829404 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -67.060 flat angles C4'-P-C4' energy: -60.098 flat angles P-C4'-P energy: -38.308 tors. eta vs tors. theta energy: -47.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -559.612947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.612947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.612947 (E_RNA) where: Base-Base interactions energy: -322.322 where: short stacking energy: -163.804 Base-Backbone interact. energy: 1.401 local terms energy: -238.691013 where: bonds (distance) C4'-P energy: -59.255 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -51.935 flat angles P-C4'-P energy: -40.882 tors. eta vs tors. theta energy: -28.881 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: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -319.957356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.957356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.957356 (E_RNA) where: Base-Base interactions energy: -132.354 where: short stacking energy: -86.656 Base-Backbone interact. energy: -2.373 local terms energy: -185.230167 where: bonds (distance) C4'-P energy: -54.397 bonds (distance) P-C4' energy: -64.159 flat angles C4'-P-C4' energy: -54.207 flat angles P-C4'-P energy: -24.724 tors. eta vs tors. theta energy: 12.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -310.667336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.667336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.667336 (E_RNA) where: Base-Base interactions energy: -113.725 where: short stacking energy: -93.082 Base-Backbone interact. energy: 0.402 local terms energy: -197.344022 where: bonds (distance) C4'-P energy: -54.696 bonds (distance) P-C4' energy: -58.899 flat angles C4'-P-C4' energy: -51.248 flat angles P-C4'-P energy: -24.119 tors. eta vs tors. theta energy: -8.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1115.407407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.407407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.407407 (E_RNA) where: Base-Base interactions energy: -759.792 where: short stacking energy: -332.928 Base-Backbone interact. energy: -0.190 local terms energy: -355.425633 where: bonds (distance) C4'-P energy: -65.953 bonds (distance) P-C4' energy: -72.624 flat angles C4'-P-C4' energy: -80.039 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -91.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1075.339815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.339815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.339815 (E_RNA) where: Base-Base interactions energy: -716.662 where: short stacking energy: -334.424 Base-Backbone interact. energy: -1.676 local terms energy: -357.002177 where: bonds (distance) C4'-P energy: -56.048 bonds (distance) P-C4' energy: -64.546 flat angles C4'-P-C4' energy: -77.974 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: -101.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1014.551669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.551669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.551669 (E_RNA) where: Base-Base interactions energy: -707.657 where: short stacking energy: -307.644 Base-Backbone interact. energy: -1.332 local terms energy: -305.562045 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -62.573 flat angles C4'-P-C4' energy: -59.816 flat angles P-C4'-P energy: -34.953 tors. eta vs tors. theta energy: -85.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -949.030630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.030630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.030630 (E_RNA) where: Base-Base interactions energy: -638.850 where: short stacking energy: -301.390 Base-Backbone interact. energy: -0.835 local terms energy: -309.346177 where: bonds (distance) C4'-P energy: -60.310 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -66.541 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -71.625 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: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -892.002879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.002879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.002879 (E_RNA) where: Base-Base interactions energy: -588.653 where: short stacking energy: -266.812 Base-Backbone interact. energy: -0.589 local terms energy: -302.760891 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -61.422 flat angles C4'-P-C4' energy: -66.294 flat angles P-C4'-P energy: -42.412 tors. eta vs tors. theta energy: -70.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -755.991606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.991606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.991606 (E_RNA) where: Base-Base interactions energy: -480.936 where: short stacking energy: -224.645 Base-Backbone interact. energy: -1.648 local terms energy: -273.406869 where: bonds (distance) C4'-P energy: -58.086 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -65.034 flat angles P-C4'-P energy: -37.789 tors. eta vs tors. theta energy: -51.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -636.680019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.680019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.680019 (E_RNA) where: Base-Base interactions energy: -388.437 where: short stacking energy: -190.149 Base-Backbone interact. energy: -1.962 local terms energy: -246.281307 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -65.982 flat angles P-C4'-P energy: -35.862 tors. eta vs tors. theta energy: -39.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -579.743953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.743953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.743953 (E_RNA) where: Base-Base interactions energy: -326.340 where: short stacking energy: -172.269 Base-Backbone interact. energy: -1.527 local terms energy: -251.877406 where: bonds (distance) C4'-P energy: -61.116 bonds (distance) P-C4' energy: -65.523 flat angles C4'-P-C4' energy: -57.960 flat angles P-C4'-P energy: -27.707 tors. eta vs tors. theta energy: -39.572 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: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -335.576880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.576880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.576880 (E_RNA) where: Base-Base interactions energy: -138.592 where: short stacking energy: -92.616 Base-Backbone interact. energy: -0.953 local terms energy: -196.032409 where: bonds (distance) C4'-P energy: -45.502 bonds (distance) P-C4' energy: -76.724 flat angles C4'-P-C4' energy: -58.344 flat angles P-C4'-P energy: -25.351 tors. eta vs tors. theta energy: 9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -278.543428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.543428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.543428 (E_RNA) where: Base-Base interactions energy: -114.741 where: short stacking energy: -94.167 Base-Backbone interact. energy: -0.515 local terms energy: -163.287209 where: bonds (distance) C4'-P energy: -51.637 bonds (distance) P-C4' energy: -58.331 flat angles C4'-P-C4' energy: -53.681 flat angles P-C4'-P energy: -20.017 tors. eta vs tors. theta energy: 20.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1091.901039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.901039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.901039 (E_RNA) where: Base-Base interactions energy: -742.414 where: short stacking energy: -340.610 Base-Backbone interact. energy: 0.226 local terms energy: -349.712584 where: bonds (distance) C4'-P energy: -71.079 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -71.636 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -94.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1065.247912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.247912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.247912 (E_RNA) where: Base-Base interactions energy: -721.385 where: short stacking energy: -344.263 Base-Backbone interact. energy: 0.931 local terms energy: -344.793173 where: bonds (distance) C4'-P energy: -59.490 bonds (distance) P-C4' energy: -66.592 flat angles C4'-P-C4' energy: -78.051 flat angles P-C4'-P energy: -42.149 tors. eta vs tors. theta energy: -98.511 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: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1020.511525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.511525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.511525 (E_RNA) where: Base-Base interactions energy: -678.484 where: short stacking energy: -317.892 Base-Backbone interact. energy: -3.061 local terms energy: -338.966271 where: bonds (distance) C4'-P energy: -63.171 bonds (distance) P-C4' energy: -72.039 flat angles C4'-P-C4' energy: -79.510 flat angles P-C4'-P energy: -39.726 tors. eta vs tors. theta energy: -84.521 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: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -959.387975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.387975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.387975 (E_RNA) where: Base-Base interactions energy: -644.894 where: short stacking energy: -284.978 Base-Backbone interact. energy: -0.879 local terms energy: -313.615492 where: bonds (distance) C4'-P energy: -61.199 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -46.608 tors. eta vs tors. theta energy: -73.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -872.179027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.179027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.179027 (E_RNA) where: Base-Base interactions energy: -567.970 where: short stacking energy: -259.306 Base-Backbone interact. energy: -0.607 local terms energy: -303.601858 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -59.001 flat angles C4'-P-C4' energy: -75.240 flat angles P-C4'-P energy: -41.319 tors. eta vs tors. theta energy: -73.082 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: 6, replica: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -734.717981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.717981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.717981 (E_RNA) where: Base-Base interactions energy: -444.031 where: short stacking energy: -217.945 Base-Backbone interact. energy: -0.519 local terms energy: -290.167948 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -63.756 flat angles C4'-P-C4' energy: -60.407 flat angles P-C4'-P energy: -44.104 tors. eta vs tors. theta energy: -55.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -646.504335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.504335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.504335 (E_RNA) where: Base-Base interactions energy: -405.533 where: short stacking energy: -208.178 Base-Backbone interact. energy: -0.085 local terms energy: -240.886821 where: bonds (distance) C4'-P energy: -48.971 bonds (distance) P-C4' energy: -54.569 flat angles C4'-P-C4' energy: -57.820 flat angles P-C4'-P energy: -32.345 tors. eta vs tors. theta energy: -47.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -574.542949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.542949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.542949 (E_RNA) where: Base-Base interactions energy: -344.860 where: short stacking energy: -180.869 Base-Backbone interact. energy: -1.211 local terms energy: -228.472080 where: bonds (distance) C4'-P energy: -63.598 bonds (distance) P-C4' energy: -58.150 flat angles C4'-P-C4' energy: -47.339 flat angles P-C4'-P energy: -36.678 tors. eta vs tors. theta energy: -22.708 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: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -333.692128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.692128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.692128 (E_RNA) where: Base-Base interactions energy: -129.487 where: short stacking energy: -96.258 Base-Backbone interact. energy: 0.210 local terms energy: -204.415151 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -55.818 flat angles P-C4'-P energy: -27.184 tors. eta vs tors. theta energy: -0.884 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: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -297.290307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.290307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.290307 (E_RNA) where: Base-Base interactions energy: -120.466 where: short stacking energy: -85.110 Base-Backbone interact. energy: 3.624 local terms energy: -180.448930 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -53.903 flat angles P-C4'-P energy: -30.895 tors. eta vs tors. theta energy: 13.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1118.836001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.836001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.836001 (E_RNA) where: Base-Base interactions energy: -755.113 where: short stacking energy: -342.757 Base-Backbone interact. energy: -3.455 local terms energy: -360.268729 where: bonds (distance) C4'-P energy: -62.584 bonds (distance) P-C4' energy: -77.363 flat angles C4'-P-C4' energy: -73.351 flat angles P-C4'-P energy: -47.276 tors. eta vs tors. theta energy: -99.695 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: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1090.518523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.518523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.518523 (E_RNA) where: Base-Base interactions energy: -742.967 where: short stacking energy: -345.811 Base-Backbone interact. energy: -2.491 local terms energy: -345.061167 where: bonds (distance) C4'-P energy: -65.746 bonds (distance) P-C4' energy: -64.289 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -44.907 tors. eta vs tors. theta energy: -97.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1037.939624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.939624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.939624 (E_RNA) where: Base-Base interactions energy: -675.806 where: short stacking energy: -304.836 Base-Backbone interact. energy: -1.753 local terms energy: -360.381192 where: bonds (distance) C4'-P energy: -68.455 bonds (distance) P-C4' energy: -75.802 flat angles C4'-P-C4' energy: -82.371 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -84.621 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: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -931.682366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.682366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.682366 (E_RNA) where: Base-Base interactions energy: -597.624 where: short stacking energy: -281.005 Base-Backbone interact. energy: -1.499 local terms energy: -332.559745 where: bonds (distance) C4'-P energy: -59.590 bonds (distance) P-C4' energy: -66.899 flat angles C4'-P-C4' energy: -79.191 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -76.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -874.615615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.615615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.615615 (E_RNA) where: Base-Base interactions energy: -591.662 where: short stacking energy: -253.320 Base-Backbone interact. energy: 2.287 local terms energy: -285.240719 where: bonds (distance) C4'-P energy: -56.957 bonds (distance) P-C4' energy: -72.048 flat angles C4'-P-C4' energy: -63.065 flat angles P-C4'-P energy: -40.837 tors. eta vs tors. theta energy: -52.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -783.275973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.275973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.275973 (E_RNA) where: Base-Base interactions energy: -478.137 where: short stacking energy: -220.789 Base-Backbone interact. energy: -0.430 local terms energy: -304.709714 where: bonds (distance) C4'-P energy: -65.967 bonds (distance) P-C4' energy: -67.307 flat angles C4'-P-C4' energy: -62.727 flat angles P-C4'-P energy: -46.541 tors. eta vs tors. theta energy: -62.168 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: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -671.685655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.685655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.685655 (E_RNA) where: Base-Base interactions energy: -394.242 where: short stacking energy: -193.983 Base-Backbone interact. energy: 4.611 local terms energy: -282.055079 where: bonds (distance) C4'-P energy: -66.918 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -66.442 flat angles P-C4'-P energy: -38.465 tors. eta vs tors. theta energy: -49.253 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: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -593.216649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.216649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.216649 (E_RNA) where: Base-Base interactions energy: -333.308 where: short stacking energy: -172.291 Base-Backbone interact. energy: -1.741 local terms energy: -258.167682 where: bonds (distance) C4'-P energy: -62.837 bonds (distance) P-C4' energy: -54.348 flat angles C4'-P-C4' energy: -59.048 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: -41.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -311.185613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.185613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.185613 (E_RNA) where: Base-Base interactions energy: -96.018 where: short stacking energy: -84.516 Base-Backbone interact. energy: -0.815 local terms energy: -214.352848 where: bonds (distance) C4'-P energy: -65.288 bonds (distance) P-C4' energy: -62.918 flat angles C4'-P-C4' energy: -47.317 flat angles P-C4'-P energy: -38.266 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -283.737775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.737775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.737775 (E_RNA) where: Base-Base interactions energy: -109.243 where: short stacking energy: -92.915 Base-Backbone interact. energy: -0.475 local terms energy: -174.019573 where: bonds (distance) C4'-P energy: -52.456 bonds (distance) P-C4' energy: -60.844 flat angles C4'-P-C4' energy: -47.722 flat angles P-C4'-P energy: -21.053 tors. eta vs tors. theta energy: 8.056 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: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1117.741964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.741964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.741964 (E_RNA) where: Base-Base interactions energy: -763.879 where: short stacking energy: -357.822 Base-Backbone interact. energy: -1.117 local terms energy: -352.745962 where: bonds (distance) C4'-P energy: -51.275 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -77.094 flat angles P-C4'-P energy: -56.435 tors. eta vs tors. theta energy: -101.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1085.514441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.514441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.514441 (E_RNA) where: Base-Base interactions energy: -734.849 where: short stacking energy: -308.317 Base-Backbone interact. energy: 3.057 local terms energy: -353.722338 where: bonds (distance) C4'-P energy: -72.592 bonds (distance) P-C4' energy: -71.093 flat angles C4'-P-C4' energy: -75.585 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -86.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1028.799873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.799873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.799873 (E_RNA) where: Base-Base interactions energy: -692.346 where: short stacking energy: -292.229 Base-Backbone interact. energy: 0.841 local terms energy: -337.294874 where: bonds (distance) C4'-P energy: -58.917 bonds (distance) P-C4' energy: -71.606 flat angles C4'-P-C4' energy: -76.735 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -80.939 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: 4, replica: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -973.639241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.639241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.639241 (E_RNA) where: Base-Base interactions energy: -659.463 where: short stacking energy: -280.704 Base-Backbone interact. energy: -2.451 local terms energy: -311.725140 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -55.932 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -72.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -917.587394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.587394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.587394 (E_RNA) where: Base-Base interactions energy: -586.559 where: short stacking energy: -255.742 Base-Backbone interact. energy: -0.486 local terms energy: -330.542072 where: bonds (distance) C4'-P energy: -55.819 bonds (distance) P-C4' energy: -66.779 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -76.414 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: 6, replica: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -731.840198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.840198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.840198 (E_RNA) where: Base-Base interactions energy: -474.882 where: short stacking energy: -231.772 Base-Backbone interact. energy: 0.160 local terms energy: -257.118947 where: bonds (distance) C4'-P energy: -58.002 bonds (distance) P-C4' energy: -56.042 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -32.206 tors. eta vs tors. theta energy: -46.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -648.085502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.085502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.085502 (E_RNA) where: Base-Base interactions energy: -393.203 where: short stacking energy: -198.979 Base-Backbone interact. energy: -1.197 local terms energy: -253.685677 where: bonds (distance) C4'-P energy: -54.530 bonds (distance) P-C4' energy: -53.923 flat angles C4'-P-C4' energy: -58.362 flat angles P-C4'-P energy: -34.829 tors. eta vs tors. theta energy: -52.043 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: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -593.886822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.886822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.886822 (E_RNA) where: Base-Base interactions energy: -337.404 where: short stacking energy: -166.551 Base-Backbone interact. energy: -0.705 local terms energy: -255.777833 where: bonds (distance) C4'-P energy: -58.495 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -64.486 flat angles P-C4'-P energy: -29.436 tors. eta vs tors. theta energy: -34.124 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: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -334.794070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.794070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.794070 (E_RNA) where: Base-Base interactions energy: -127.664 where: short stacking energy: -103.553 Base-Backbone interact. energy: -1.476 local terms energy: -205.653450 where: bonds (distance) C4'-P energy: -60.090 bonds (distance) P-C4' energy: -56.182 flat angles C4'-P-C4' energy: -51.404 flat angles P-C4'-P energy: -33.166 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -304.999341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.999341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.999341 (E_RNA) where: Base-Base interactions energy: -108.667 where: short stacking energy: -103.625 Base-Backbone interact. energy: -1.314 local terms energy: -195.017947 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -58.996 flat angles P-C4'-P energy: -20.945 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1115.022027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.022027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.022027 (E_RNA) where: Base-Base interactions energy: -747.235 where: short stacking energy: -358.414 Base-Backbone interact. energy: -0.966 local terms energy: -366.820769 where: bonds (distance) C4'-P energy: -63.591 bonds (distance) P-C4' energy: -71.138 flat angles C4'-P-C4' energy: -74.242 flat angles P-C4'-P energy: -56.805 tors. eta vs tors. theta energy: -101.045 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: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1105.402852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.402852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.402852 (E_RNA) where: Base-Base interactions energy: -739.361 where: short stacking energy: -326.415 Base-Backbone interact. energy: -3.326 local terms energy: -362.715195 where: bonds (distance) C4'-P energy: -68.822 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -74.329 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: -93.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1040.110624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.110624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.110624 (E_RNA) where: Base-Base interactions energy: -705.704 where: short stacking energy: -321.819 Base-Backbone interact. energy: 1.240 local terms energy: -335.645926 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -74.664 flat angles C4'-P-C4' energy: -73.025 flat angles P-C4'-P energy: -45.896 tors. eta vs tors. theta energy: -87.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -951.067836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.067836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.067836 (E_RNA) where: Base-Base interactions energy: -639.604 where: short stacking energy: -284.688 Base-Backbone interact. energy: -2.286 local terms energy: -309.177285 where: bonds (distance) C4'-P energy: -65.607 bonds (distance) P-C4' energy: -66.172 flat angles C4'-P-C4' energy: -62.046 flat angles P-C4'-P energy: -36.716 tors. eta vs tors. theta energy: -78.636 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: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -884.907122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.907122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.907122 (E_RNA) where: Base-Base interactions energy: -573.373 where: short stacking energy: -253.915 Base-Backbone interact. energy: -0.878 local terms energy: -310.655673 where: bonds (distance) C4'-P energy: -74.200 bonds (distance) P-C4' energy: -58.907 flat angles C4'-P-C4' energy: -65.713 flat angles P-C4'-P energy: -39.840 tors. eta vs tors. theta energy: -71.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -780.468930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.468930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.468930 (E_RNA) where: Base-Base interactions energy: -489.518 where: short stacking energy: -241.298 Base-Backbone interact. energy: -0.797 local terms energy: -290.154017 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -55.489 flat angles C4'-P-C4' energy: -64.108 flat angles P-C4'-P energy: -45.425 tors. eta vs tors. theta energy: -57.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -639.456877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.456877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.456877 (E_RNA) where: Base-Base interactions energy: -397.631 where: short stacking energy: -197.109 Base-Backbone interact. energy: 0.513 local terms energy: -242.339442 where: bonds (distance) C4'-P energy: -57.173 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -47.856 flat angles P-C4'-P energy: -31.005 tors. eta vs tors. theta energy: -43.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -579.815250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.815250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.815250 (E_RNA) where: Base-Base interactions energy: -367.438 where: short stacking energy: -195.545 Base-Backbone interact. energy: -0.348 local terms energy: -212.030182 where: bonds (distance) C4'-P energy: -46.546 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -53.429 flat angles P-C4'-P energy: -26.039 tors. eta vs tors. theta energy: -32.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -295.369721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.369721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.369721 (E_RNA) where: Base-Base interactions energy: -93.515 where: short stacking energy: -85.880 Base-Backbone interact. energy: -1.828 local terms energy: -200.027185 where: bonds (distance) C4'-P energy: -58.714 bonds (distance) P-C4' energy: -58.053 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -20.616 tors. eta vs tors. theta energy: 7.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -301.875887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.875887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.875887 (E_RNA) where: Base-Base interactions energy: -110.208 where: short stacking energy: -90.170 Base-Backbone interact. energy: -0.780 local terms energy: -190.888743 where: bonds (distance) C4'-P energy: -40.563 bonds (distance) P-C4' energy: -67.117 flat angles C4'-P-C4' energy: -53.956 flat angles P-C4'-P energy: -30.818 tors. eta vs tors. theta energy: 1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1103.115165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.115165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.115165 (E_RNA) where: Base-Base interactions energy: -748.974 where: short stacking energy: -320.187 Base-Backbone interact. energy: 2.719 local terms energy: -356.859858 where: bonds (distance) C4'-P energy: -66.708 bonds (distance) P-C4' energy: -71.549 flat angles C4'-P-C4' energy: -77.384 flat angles P-C4'-P energy: -52.002 tors. eta vs tors. theta energy: -89.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1094.685488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.685488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.685488 (E_RNA) where: Base-Base interactions energy: -752.484 where: short stacking energy: -317.600 Base-Backbone interact. energy: -2.331 local terms energy: -339.870100 where: bonds (distance) C4'-P energy: -68.238 bonds (distance) P-C4' energy: -67.541 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -53.860 tors. eta vs tors. theta energy: -84.930 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: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1050.023117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.023117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.023117 (E_RNA) where: Base-Base interactions energy: -707.480 where: short stacking energy: -316.176 Base-Backbone interact. energy: -1.508 local terms energy: -341.034754 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -59.024 flat angles C4'-P-C4' energy: -81.202 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: -84.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -985.073034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.073034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.073034 (E_RNA) where: Base-Base interactions energy: -662.358 where: short stacking energy: -272.168 Base-Backbone interact. energy: -0.287 local terms energy: -322.428214 where: bonds (distance) C4'-P energy: -59.379 bonds (distance) P-C4' energy: -58.248 flat angles C4'-P-C4' energy: -78.810 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -77.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -893.178054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.178054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.178054 (E_RNA) where: Base-Base interactions energy: -591.552 where: short stacking energy: -252.590 Base-Backbone interact. energy: -0.561 local terms energy: -301.064774 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -68.464 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: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -795.862063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.862063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.862063 (E_RNA) where: Base-Base interactions energy: -499.628 where: short stacking energy: -250.143 Base-Backbone interact. energy: -1.298 local terms energy: -294.936828 where: bonds (distance) C4'-P energy: -55.745 bonds (distance) P-C4' energy: -65.639 flat angles C4'-P-C4' energy: -64.671 flat angles P-C4'-P energy: -40.273 tors. eta vs tors. theta energy: -68.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -664.141787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.141787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.141787 (E_RNA) where: Base-Base interactions energy: -416.545 where: short stacking energy: -190.979 Base-Backbone interact. energy: -0.429 local terms energy: -247.167928 where: bonds (distance) C4'-P energy: -44.833 bonds (distance) P-C4' energy: -66.605 flat angles C4'-P-C4' energy: -59.821 flat angles P-C4'-P energy: -39.460 tors. eta vs tors. theta energy: -36.448 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: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -608.738212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.738212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.738212 (E_RNA) where: Base-Base interactions energy: -369.077 where: short stacking energy: -188.862 Base-Backbone interact. energy: 0.912 local terms energy: -240.573422 where: bonds (distance) C4'-P energy: -52.371 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -40.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -330.609586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.609586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.609586 (E_RNA) where: Base-Base interactions energy: -156.486 where: short stacking energy: -104.558 Base-Backbone interact. energy: 1.096 local terms energy: -175.220220 where: bonds (distance) C4'-P energy: -41.093 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -46.606 flat angles P-C4'-P energy: -31.538 tors. eta vs tors. theta energy: 8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -279.349621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.349621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.349621 (E_RNA) where: Base-Base interactions energy: -91.614 where: short stacking energy: -79.029 Base-Backbone interact. energy: -0.446 local terms energy: -187.289302 where: bonds (distance) C4'-P energy: -60.647 bonds (distance) P-C4' energy: -59.361 flat angles C4'-P-C4' energy: -48.241 flat angles P-C4'-P energy: -26.404 tors. eta vs tors. theta energy: 7.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1135.021893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.021893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.021893 (E_RNA) where: Base-Base interactions energy: -767.918 where: short stacking energy: -325.006 Base-Backbone interact. energy: -1.524 local terms energy: -365.580263 where: bonds (distance) C4'-P energy: -64.576 bonds (distance) P-C4' energy: -76.950 flat angles C4'-P-C4' energy: -76.089 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -91.153 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: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1068.439993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.439993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.439993 (E_RNA) where: Base-Base interactions energy: -728.320 where: short stacking energy: -292.126 Base-Backbone interact. energy: -0.862 local terms energy: -339.257791 where: bonds (distance) C4'-P energy: -64.983 bonds (distance) P-C4' energy: -73.495 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -44.591 tors. eta vs tors. theta energy: -84.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1022.369735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.369735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.369735 (E_RNA) where: Base-Base interactions energy: -682.274 where: short stacking energy: -315.055 Base-Backbone interact. energy: 0.397 local terms energy: -340.492250 where: bonds (distance) C4'-P energy: -67.019 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -70.888 flat angles P-C4'-P energy: -54.163 tors. eta vs tors. theta energy: -90.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -960.524648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.524648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.524648 (E_RNA) where: Base-Base interactions energy: -651.534 where: short stacking energy: -274.766 Base-Backbone interact. energy: -2.517 local terms energy: -306.473633 where: bonds (distance) C4'-P energy: -62.847 bonds (distance) P-C4' energy: -59.076 flat angles C4'-P-C4' energy: -64.009 flat angles P-C4'-P energy: -44.148 tors. eta vs tors. theta energy: -76.394 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: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -890.456387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.456387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.456387 (E_RNA) where: Base-Base interactions energy: -572.544 where: short stacking energy: -265.124 Base-Backbone interact. energy: -1.454 local terms energy: -316.458273 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -58.708 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -81.476 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: 9 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -799.473933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.473933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.473933 (E_RNA) where: Base-Base interactions energy: -508.939 where: short stacking energy: -241.584 Base-Backbone interact. energy: -1.975 local terms energy: -288.560009 where: bonds (distance) C4'-P energy: -65.994 bonds (distance) P-C4' energy: -58.942 flat angles C4'-P-C4' energy: -61.162 flat angles P-C4'-P energy: -40.354 tors. eta vs tors. theta energy: -62.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -682.812188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.812188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.812188 (E_RNA) where: Base-Base interactions energy: -423.723 where: short stacking energy: -194.935 Base-Backbone interact. energy: 0.965 local terms energy: -260.054360 where: bonds (distance) C4'-P energy: -57.834 bonds (distance) P-C4' energy: -62.328 flat angles C4'-P-C4' energy: -57.682 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -37.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -594.360611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.360611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.360611 (E_RNA) where: Base-Base interactions energy: -362.071 where: short stacking energy: -176.488 Base-Backbone interact. energy: 0.254 local terms energy: -232.542998 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -56.986 flat angles C4'-P-C4' energy: -47.220 flat angles P-C4'-P energy: -42.929 tors. eta vs tors. theta energy: -27.858 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: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -338.504316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.504316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.504316 (E_RNA) where: Base-Base interactions energy: -143.093 where: short stacking energy: -99.028 Base-Backbone interact. energy: 1.812 local terms energy: -197.223116 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -54.764 flat angles C4'-P-C4' energy: -47.090 flat angles P-C4'-P energy: -26.197 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -279.533889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.533889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.533889 (E_RNA) where: Base-Base interactions energy: -99.392 where: short stacking energy: -75.800 Base-Backbone interact. energy: -1.278 local terms energy: -178.864436 where: bonds (distance) C4'-P energy: -54.288 bonds (distance) P-C4' energy: -59.443 flat angles C4'-P-C4' energy: -44.419 flat angles P-C4'-P energy: -28.072 tors. eta vs tors. theta energy: 7.357 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: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1124.779639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.779639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.779639 (E_RNA) where: Base-Base interactions energy: -761.872 where: short stacking energy: -337.581 Base-Backbone interact. energy: -1.315 local terms energy: -361.592520 where: bonds (distance) C4'-P energy: -57.685 bonds (distance) P-C4' energy: -62.697 flat angles C4'-P-C4' energy: -82.251 flat angles P-C4'-P energy: -59.104 tors. eta vs tors. theta energy: -99.855 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: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1098.640835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.640835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.640835 (E_RNA) where: Base-Base interactions energy: -744.624 where: short stacking energy: -309.106 Base-Backbone interact. energy: 0.515 local terms energy: -354.531779 where: bonds (distance) C4'-P energy: -61.782 bonds (distance) P-C4' energy: -71.675 flat angles C4'-P-C4' energy: -85.872 flat angles P-C4'-P energy: -50.033 tors. eta vs tors. theta energy: -85.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1004.154257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.154257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.154257 (E_RNA) where: Base-Base interactions energy: -666.317 where: short stacking energy: -295.342 Base-Backbone interact. energy: -1.660 local terms energy: -336.177371 where: bonds (distance) C4'-P energy: -73.137 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -77.420 flat angles P-C4'-P energy: -45.227 tors. eta vs tors. theta energy: -79.110 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: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -975.297306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.297306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.297306 (E_RNA) where: Base-Base interactions energy: -651.314 where: short stacking energy: -278.641 Base-Backbone interact. energy: -2.038 local terms energy: -321.945714 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -62.977 flat angles C4'-P-C4' energy: -75.777 flat angles P-C4'-P energy: -54.457 tors. eta vs tors. theta energy: -67.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -911.757654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.757654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.757654 (E_RNA) where: Base-Base interactions energy: -613.127 where: short stacking energy: -278.309 Base-Backbone interact. energy: -0.064 local terms energy: -298.566884 where: bonds (distance) C4'-P energy: -55.423 bonds (distance) P-C4' energy: -50.576 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -51.583 tors. eta vs tors. theta energy: -74.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -829.445696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.445696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.445696 (E_RNA) where: Base-Base interactions energy: -540.350 where: short stacking energy: -237.134 Base-Backbone interact. energy: -1.570 local terms energy: -287.525156 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -64.930 flat angles C4'-P-C4' energy: -67.061 flat angles P-C4'-P energy: -43.327 tors. eta vs tors. theta energy: -55.213 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: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -633.242987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.242987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.242987 (E_RNA) where: Base-Base interactions energy: -376.933 where: short stacking energy: -172.652 Base-Backbone interact. energy: -0.376 local terms energy: -255.933641 where: bonds (distance) C4'-P energy: -61.126 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: -35.720 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: 268 Temperature: 1.250000 Total energy: -643.194551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.194551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.194551 (E_RNA) where: Base-Base interactions energy: -383.047 where: short stacking energy: -188.500 Base-Backbone interact. energy: -0.931 local terms energy: -259.217100 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -62.323 flat angles P-C4'-P energy: -36.238 tors. eta vs tors. theta energy: -33.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -329.281636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.281636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.281636 (E_RNA) where: Base-Base interactions energy: -135.423 where: short stacking energy: -111.719 Base-Backbone interact. energy: 1.679 local terms energy: -195.537360 where: bonds (distance) C4'-P energy: -42.032 bonds (distance) P-C4' energy: -55.208 flat angles C4'-P-C4' energy: -54.653 flat angles P-C4'-P energy: -32.965 tors. eta vs tors. theta energy: -10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -284.047527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.047527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.047527 (E_RNA) where: Base-Base interactions energy: -82.614 where: short stacking energy: -57.466 Base-Backbone interact. energy: 2.748 local terms energy: -204.181244 where: bonds (distance) C4'-P energy: -47.067 bonds (distance) P-C4' energy: -70.588 flat angles C4'-P-C4' energy: -61.758 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: 16.797 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: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1104.573308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.573308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.573308 (E_RNA) where: Base-Base interactions energy: -734.537 where: short stacking energy: -329.430 Base-Backbone interact. energy: -1.649 local terms energy: -368.387611 where: bonds (distance) C4'-P energy: -66.338 bonds (distance) P-C4' energy: -72.767 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -55.687 tors. eta vs tors. theta energy: -95.163 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1099.229191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.229191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.229191 (E_RNA) where: Base-Base interactions energy: -748.396 where: short stacking energy: -325.687 Base-Backbone interact. energy: -2.691 local terms energy: -348.141461 where: bonds (distance) C4'-P energy: -66.985 bonds (distance) P-C4' energy: -58.295 flat angles C4'-P-C4' energy: -77.160 flat angles P-C4'-P energy: -51.875 tors. eta vs tors. theta energy: -93.827 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: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1012.705348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.705348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.705348 (E_RNA) where: Base-Base interactions energy: -697.550 where: short stacking energy: -315.197 Base-Backbone interact. energy: 0.625 local terms energy: -315.780365 where: bonds (distance) C4'-P energy: -72.274 bonds (distance) P-C4' energy: -53.347 flat angles C4'-P-C4' energy: -75.981 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: -78.261 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: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -948.764066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.764066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.764066 (E_RNA) where: Base-Base interactions energy: -635.950 where: short stacking energy: -278.087 Base-Backbone interact. energy: -0.555 local terms energy: -312.259875 where: bonds (distance) C4'-P energy: -61.014 bonds (distance) P-C4' energy: -59.622 flat angles C4'-P-C4' energy: -72.064 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -71.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -905.007473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.007473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.007473 (E_RNA) where: Base-Base interactions energy: -598.624 where: short stacking energy: -251.712 Base-Backbone interact. energy: -0.904 local terms energy: -305.479070 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -58.666 flat angles P-C4'-P energy: -53.862 tors. eta vs tors. theta energy: -69.109 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: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -797.393500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.393500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.393500 (E_RNA) where: Base-Base interactions energy: -525.010 where: short stacking energy: -234.706 Base-Backbone interact. energy: -0.993 local terms energy: -271.390522 where: bonds (distance) C4'-P energy: -62.130 bonds (distance) P-C4' energy: -60.863 flat angles C4'-P-C4' energy: -54.922 flat angles P-C4'-P energy: -36.888 tors. eta vs tors. theta energy: -56.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -597.727507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.727507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.727507 (E_RNA) where: Base-Base interactions energy: -356.885 where: short stacking energy: -173.773 Base-Backbone interact. energy: 2.566 local terms energy: -243.408423 where: bonds (distance) C4'-P energy: -63.886 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -57.679 flat angles P-C4'-P energy: -33.444 tors. eta vs tors. theta energy: -29.475 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: 269 Temperature: 1.250000 Total energy: -596.706436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.706436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.706436 (E_RNA) where: Base-Base interactions energy: -336.407 where: short stacking energy: -161.757 Base-Backbone interact. energy: -3.289 local terms energy: -257.010381 where: bonds (distance) C4'-P energy: -45.507 bonds (distance) P-C4' energy: -71.105 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -33.177 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: 3 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -314.578141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.578141 (E_RNA) where: Base-Base interactions energy: -126.388 where: short stacking energy: -80.608 Base-Backbone interact. energy: 2.629 local terms energy: -190.818709 where: bonds (distance) C4'-P energy: -43.636 bonds (distance) P-C4' energy: -60.460 flat angles C4'-P-C4' energy: -51.656 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -3.032 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: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -293.059378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.059378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.059378 (E_RNA) where: Base-Base interactions energy: -105.336 where: short stacking energy: -89.068 Base-Backbone interact. energy: 2.590 local terms energy: -190.313417 where: bonds (distance) C4'-P energy: -55.798 bonds (distance) P-C4' energy: -61.675 flat angles C4'-P-C4' energy: -52.952 flat angles P-C4'-P energy: -28.397 tors. eta vs tors. theta energy: 8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1122.837387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.837387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.837387 (E_RNA) where: Base-Base interactions energy: -744.549 where: short stacking energy: -322.710 Base-Backbone interact. energy: -2.755 local terms energy: -375.533435 where: bonds (distance) C4'-P energy: -72.936 bonds (distance) P-C4' energy: -73.799 flat angles C4'-P-C4' energy: -79.616 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: -94.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1095.792360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.792360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.792360 (E_RNA) where: Base-Base interactions energy: -736.754 where: short stacking energy: -333.928 Base-Backbone interact. energy: -1.496 local terms energy: -357.541564 where: bonds (distance) C4'-P energy: -70.208 bonds (distance) P-C4' energy: -71.781 flat angles C4'-P-C4' energy: -78.503 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: -90.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -992.721546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.721546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.721546 (E_RNA) where: Base-Base interactions energy: -658.013 where: short stacking energy: -297.972 Base-Backbone interact. energy: -1.824 local terms energy: -332.885118 where: bonds (distance) C4'-P energy: -73.544 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -45.195 tors. eta vs tors. theta energy: -72.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -989.790075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.790075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.790075 (E_RNA) where: Base-Base interactions energy: -662.987 where: short stacking energy: -291.423 Base-Backbone interact. energy: -2.744 local terms energy: -324.058870 where: bonds (distance) C4'-P energy: -61.924 bonds (distance) P-C4' energy: -63.853 flat angles C4'-P-C4' energy: -74.489 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: -75.860 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: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -860.318762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.318762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.318762 (E_RNA) where: Base-Base interactions energy: -534.142 where: short stacking energy: -272.433 Base-Backbone interact. energy: 0.366 local terms energy: -326.542325 where: bonds (distance) C4'-P energy: -71.120 bonds (distance) P-C4' energy: -62.921 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -44.097 tors. eta vs tors. theta energy: -79.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -854.969607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.969607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.969607 (E_RNA) where: Base-Base interactions energy: -561.681 where: short stacking energy: -242.310 Base-Backbone interact. energy: 0.472 local terms energy: -293.761314 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -68.408 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -58.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -663.413735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.413735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.413735 (E_RNA) where: Base-Base interactions energy: -381.891 where: short stacking energy: -197.282 Base-Backbone interact. energy: -1.701 local terms energy: -279.821600 where: bonds (distance) C4'-P energy: -66.070 bonds (distance) P-C4' energy: -61.565 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -31.266 tors. eta vs tors. theta energy: -49.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -598.433706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.433706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.433706 (E_RNA) where: Base-Base interactions energy: -354.634 where: short stacking energy: -151.550 Base-Backbone interact. energy: -1.478 local terms energy: -242.322461 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -58.880 flat angles C4'-P-C4' energy: -50.923 flat angles P-C4'-P energy: -38.513 tors. eta vs tors. theta energy: -38.758 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: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -298.118221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.118221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.118221 (E_RNA) where: Base-Base interactions energy: -107.923 where: short stacking energy: -71.229 Base-Backbone interact. energy: -1.804 local terms energy: -188.391089 where: bonds (distance) C4'-P energy: -55.971 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -50.340 flat angles P-C4'-P energy: -34.571 tors. eta vs tors. theta energy: 18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -287.818899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.818899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.818899 (E_RNA) where: Base-Base interactions energy: -122.041 where: short stacking energy: -98.899 Base-Backbone interact. energy: -0.781 local terms energy: -164.996555 where: bonds (distance) C4'-P energy: -49.058 bonds (distance) P-C4' energy: -50.844 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -15.669 tors. eta vs tors. theta energy: 4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1106.969232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.969232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.969232 (E_RNA) where: Base-Base interactions energy: -760.241 where: short stacking energy: -341.175 Base-Backbone interact. energy: -1.345 local terms energy: -345.384029 where: bonds (distance) C4'-P energy: -63.051 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -79.137 flat angles P-C4'-P energy: -48.696 tors. eta vs tors. theta energy: -92.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1066.128762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.128762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.128762 (E_RNA) where: Base-Base interactions energy: -714.650 where: short stacking energy: -324.528 Base-Backbone interact. energy: -2.909 local terms energy: -348.569347 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -71.613 flat angles C4'-P-C4' energy: -79.254 flat angles P-C4'-P energy: -50.859 tors. eta vs tors. theta energy: -89.925 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: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -987.186534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.186534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.186534 (E_RNA) where: Base-Base interactions energy: -662.696 where: short stacking energy: -291.372 Base-Backbone interact. energy: -0.625 local terms energy: -323.865368 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -70.442 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -52.238 tors. eta vs tors. theta energy: -74.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -995.375928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.375928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.375928 (E_RNA) where: Base-Base interactions energy: -664.116 where: short stacking energy: -299.225 Base-Backbone interact. energy: -1.399 local terms energy: -329.860887 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -60.073 flat angles C4'-P-C4' energy: -71.734 flat angles P-C4'-P energy: -56.451 tors. eta vs tors. theta energy: -76.759 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: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -880.256192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.256192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.256192 (E_RNA) where: Base-Base interactions energy: -601.053 where: short stacking energy: -246.878 Base-Backbone interact. energy: -2.272 local terms energy: -276.931343 where: bonds (distance) C4'-P energy: -61.990 bonds (distance) P-C4' energy: -66.159 flat angles C4'-P-C4' energy: -59.022 flat angles P-C4'-P energy: -30.269 tors. eta vs tors. theta energy: -59.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -879.388966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.388966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.388966 (E_RNA) where: Base-Base interactions energy: -575.598 where: short stacking energy: -277.614 Base-Backbone interact. energy: -2.140 local terms energy: -301.651062 where: bonds (distance) C4'-P energy: -64.618 bonds (distance) P-C4' energy: -60.086 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -35.585 tors. eta vs tors. theta energy: -74.560 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: 271 Temperature: 1.200000 Total energy: -625.359589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.359589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.359589 (E_RNA) where: Base-Base interactions energy: -381.971 where: short stacking energy: -184.889 Base-Backbone interact. energy: -1.920 local terms energy: -241.468544 where: bonds (distance) C4'-P energy: -52.917 bonds (distance) P-C4' energy: -57.113 flat angles C4'-P-C4' energy: -59.345 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: -34.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -629.017479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.017479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.017479 (E_RNA) where: Base-Base interactions energy: -389.338 where: short stacking energy: -171.298 Base-Backbone interact. energy: -2.211 local terms energy: -237.468721 where: bonds (distance) C4'-P energy: -59.627 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -64.620 flat angles P-C4'-P energy: -29.647 tors. eta vs tors. theta energy: -29.099 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: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -325.249580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.249580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.249580 (E_RNA) where: Base-Base interactions energy: -119.964 where: short stacking energy: -111.216 Base-Backbone interact. energy: -1.367 local terms energy: -203.918798 where: bonds (distance) C4'-P energy: -51.885 bonds (distance) P-C4' energy: -59.094 flat angles C4'-P-C4' energy: -55.179 flat angles P-C4'-P energy: -28.744 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -286.305507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.305507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.305507 (E_RNA) where: Base-Base interactions energy: -107.081 where: short stacking energy: -61.464 Base-Backbone interact. energy: -0.449 local terms energy: -178.775486 where: bonds (distance) C4'-P energy: -55.918 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -50.432 flat angles P-C4'-P energy: -37.084 tors. eta vs tors. theta energy: 19.296 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: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1116.582642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.582642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.582642 (E_RNA) where: Base-Base interactions energy: -749.549 where: short stacking energy: -340.051 Base-Backbone interact. energy: -3.822 local terms energy: -363.211518 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -71.835 flat angles C4'-P-C4' energy: -75.911 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: -94.616 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: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1065.898714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.898714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.898714 (E_RNA) where: Base-Base interactions energy: -729.692 where: short stacking energy: -323.900 Base-Backbone interact. energy: 1.681 local terms energy: -337.888055 where: bonds (distance) C4'-P energy: -68.995 bonds (distance) P-C4' energy: -58.467 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -83.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1031.663767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.663767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.663767 (E_RNA) where: Base-Base interactions energy: -698.602 where: short stacking energy: -302.712 Base-Backbone interact. energy: -0.562 local terms energy: -332.499669 where: bonds (distance) C4'-P energy: -61.122 bonds (distance) P-C4' energy: -64.302 flat angles C4'-P-C4' energy: -73.589 flat angles P-C4'-P energy: -49.843 tors. eta vs tors. theta energy: -83.642 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: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -961.904212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.904212 (E_RNA) where: Base-Base interactions energy: -653.517 where: short stacking energy: -281.487 Base-Backbone interact. energy: -2.464 local terms energy: -305.923301 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -57.064 flat angles C4'-P-C4' energy: -70.951 flat angles P-C4'-P energy: -32.559 tors. eta vs tors. theta energy: -75.874 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: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -926.200443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.200443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.200443 (E_RNA) where: Base-Base interactions energy: -602.412 where: short stacking energy: -269.314 Base-Backbone interact. energy: -1.961 local terms energy: -321.827770 where: bonds (distance) C4'-P energy: -59.027 bonds (distance) P-C4' energy: -60.892 flat angles C4'-P-C4' energy: -67.855 flat angles P-C4'-P energy: -44.797 tors. eta vs tors. theta energy: -89.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -871.432790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.432790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.432790 (E_RNA) where: Base-Base interactions energy: -577.313 where: short stacking energy: -245.906 Base-Backbone interact. energy: -1.685 local terms energy: -292.435091 where: bonds (distance) C4'-P energy: -62.900 bonds (distance) P-C4' energy: -61.188 flat angles C4'-P-C4' energy: -53.217 flat angles P-C4'-P energy: -45.287 tors. eta vs tors. theta energy: -69.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -647.128846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.128846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.128846 (E_RNA) where: Base-Base interactions energy: -389.830 where: short stacking energy: -200.763 Base-Backbone interact. energy: -1.422 local terms energy: -255.876067 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -61.066 flat angles C4'-P-C4' energy: -66.508 flat angles P-C4'-P energy: -35.100 tors. eta vs tors. theta energy: -33.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -620.537472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.537472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.537472 (E_RNA) where: Base-Base interactions energy: -380.801 where: short stacking energy: -190.338 Base-Backbone interact. energy: -1.572 local terms energy: -238.164603 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -49.600 flat angles C4'-P-C4' energy: -68.948 flat angles P-C4'-P energy: -28.612 tors. eta vs tors. theta energy: -31.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -320.185445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.185445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.185445 (E_RNA) where: Base-Base interactions energy: -119.504 where: short stacking energy: -97.896 Base-Backbone interact. energy: -1.762 local terms energy: -198.919826 where: bonds (distance) C4'-P energy: -50.951 bonds (distance) P-C4' energy: -50.789 flat angles C4'-P-C4' energy: -64.742 flat angles P-C4'-P energy: -30.284 tors. eta vs tors. theta energy: -2.153 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: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -285.951055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.951055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.951055 (E_RNA) where: Base-Base interactions energy: -88.942 where: short stacking energy: -74.470 Base-Backbone interact. energy: 1.908 local terms energy: -198.916525 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -65.685 flat angles C4'-P-C4' energy: -52.019 flat angles P-C4'-P energy: -27.671 tors. eta vs tors. theta energy: 5.946 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: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1121.749124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.749124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.749124 (E_RNA) where: Base-Base interactions energy: -760.539 where: short stacking energy: -327.489 Base-Backbone interact. energy: -3.279 local terms energy: -357.930139 where: bonds (distance) C4'-P energy: -56.773 bonds (distance) P-C4' energy: -76.275 flat angles C4'-P-C4' energy: -83.834 flat angles P-C4'-P energy: -44.106 tors. eta vs tors. theta energy: -96.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1078.457396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.457396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.457396 (E_RNA) where: Base-Base interactions energy: -734.870 where: short stacking energy: -316.180 Base-Backbone interact. energy: -3.186 local terms energy: -340.400890 where: bonds (distance) C4'-P energy: -64.488 bonds (distance) P-C4' energy: -61.095 flat angles C4'-P-C4' energy: -71.897 flat angles P-C4'-P energy: -49.329 tors. eta vs tors. theta energy: -93.592 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: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1023.834032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.834032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.834032 (E_RNA) where: Base-Base interactions energy: -690.184 where: short stacking energy: -304.228 Base-Backbone interact. energy: -0.648 local terms energy: -333.002198 where: bonds (distance) C4'-P energy: -58.678 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -80.782 flat angles P-C4'-P energy: -46.372 tors. eta vs tors. theta energy: -84.036 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: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -968.375394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.375394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.375394 (E_RNA) where: Base-Base interactions energy: -639.692 where: short stacking energy: -297.340 Base-Backbone interact. energy: -1.492 local terms energy: -327.191624 where: bonds (distance) C4'-P energy: -72.782 bonds (distance) P-C4' energy: -53.049 flat angles C4'-P-C4' energy: -75.511 flat angles P-C4'-P energy: -39.944 tors. eta vs tors. theta energy: -85.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -919.249205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.249205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.249205 (E_RNA) where: Base-Base interactions energy: -609.186 where: short stacking energy: -276.131 Base-Backbone interact. energy: -2.617 local terms energy: -307.446601 where: bonds (distance) C4'-P energy: -58.433 bonds (distance) P-C4' energy: -59.165 flat angles C4'-P-C4' energy: -71.753 flat angles P-C4'-P energy: -43.117 tors. eta vs tors. theta energy: -74.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -842.228471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.228471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.228471 (E_RNA) where: Base-Base interactions energy: -548.036 where: short stacking energy: -255.037 Base-Backbone interact. energy: -1.686 local terms energy: -292.506698 where: bonds (distance) C4'-P energy: -66.556 bonds (distance) P-C4' energy: -48.787 flat angles C4'-P-C4' energy: -56.899 flat angles P-C4'-P energy: -45.207 tors. eta vs tors. theta energy: -75.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -650.184372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.184372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.184372 (E_RNA) where: Base-Base interactions energy: -392.760 where: short stacking energy: -183.537 Base-Backbone interact. energy: -1.080 local terms energy: -256.344173 where: bonds (distance) C4'-P energy: -65.113 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -71.212 flat angles P-C4'-P energy: -28.026 tors. eta vs tors. theta energy: -31.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -620.621071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.621071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.621071 (E_RNA) where: Base-Base interactions energy: -373.225 where: short stacking energy: -170.000 Base-Backbone interact. energy: -0.603 local terms energy: -246.792846 where: bonds (distance) C4'-P energy: -60.139 bonds (distance) P-C4' energy: -56.328 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -32.308 tors. eta vs tors. theta energy: -35.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -295.007896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.007896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.007896 (E_RNA) where: Base-Base interactions energy: -104.598 where: short stacking energy: -87.266 Base-Backbone interact. energy: -0.289 local terms energy: -190.120957 where: bonds (distance) C4'-P energy: -59.292 bonds (distance) P-C4' energy: -66.268 flat angles C4'-P-C4' energy: -48.171 flat angles P-C4'-P energy: -25.326 tors. eta vs tors. theta energy: 8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -283.237400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.237400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.237400 (E_RNA) where: Base-Base interactions energy: -109.026 where: short stacking energy: -85.708 Base-Backbone interact. energy: -0.946 local terms energy: -173.264894 where: bonds (distance) C4'-P energy: -40.935 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -43.290 flat angles P-C4'-P energy: -31.079 tors. eta vs tors. theta energy: 4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1113.361644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.361644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.361644 (E_RNA) where: Base-Base interactions energy: -756.942 where: short stacking energy: -338.857 Base-Backbone interact. energy: 0.810 local terms energy: -357.229395 where: bonds (distance) C4'-P energy: -67.246 bonds (distance) P-C4' energy: -68.537 flat angles C4'-P-C4' energy: -78.180 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -97.387 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: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1058.496668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.496668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.496668 (E_RNA) where: Base-Base interactions energy: -700.696 where: short stacking energy: -324.540 Base-Backbone interact. energy: -4.409 local terms energy: -353.391264 where: bonds (distance) C4'-P energy: -61.423 bonds (distance) P-C4' energy: -75.017 flat angles C4'-P-C4' energy: -70.020 flat angles P-C4'-P energy: -48.958 tors. eta vs tors. theta energy: -97.973 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: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1027.604253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.604253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.604253 (E_RNA) where: Base-Base interactions energy: -700.382 where: short stacking energy: -314.412 Base-Backbone interact. energy: -2.825 local terms energy: -324.397444 where: bonds (distance) C4'-P energy: -63.081 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -74.404 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -85.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -944.334594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.334594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.334594 (E_RNA) where: Base-Base interactions energy: -628.484 where: short stacking energy: -278.014 Base-Backbone interact. energy: -1.560 local terms energy: -314.290805 where: bonds (distance) C4'-P energy: -67.022 bonds (distance) P-C4' energy: -58.268 flat angles C4'-P-C4' energy: -67.263 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -77.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -930.114556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.114556 (E_RNA) where: Base-Base interactions energy: -616.550 where: short stacking energy: -266.284 Base-Backbone interact. energy: -1.616 local terms energy: -311.947900 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -60.088 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -37.543 tors. eta vs tors. theta energy: -82.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -848.767597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.767597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.767597 (E_RNA) where: Base-Base interactions energy: -561.450 where: short stacking energy: -253.441 Base-Backbone interact. energy: -0.811 local terms energy: -286.505924 where: bonds (distance) C4'-P energy: -69.039 bonds (distance) P-C4' energy: -50.997 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -50.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -651.937631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.937631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.937631 (E_RNA) where: Base-Base interactions energy: -389.163 where: short stacking energy: -202.069 Base-Backbone interact. energy: 1.284 local terms energy: -264.059126 where: bonds (distance) C4'-P energy: -51.794 bonds (distance) P-C4' energy: -66.108 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -26.985 tors. eta vs tors. theta energy: -46.692 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: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -634.943037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.943037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.943037 (E_RNA) where: Base-Base interactions energy: -375.664 where: short stacking energy: -181.004 Base-Backbone interact. energy: -2.152 local terms energy: -257.126501 where: bonds (distance) C4'-P energy: -58.669 bonds (distance) P-C4' energy: -59.914 flat angles C4'-P-C4' energy: -57.803 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -41.862 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: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -311.144915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.144915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.144915 (E_RNA) where: Base-Base interactions energy: -113.903 where: short stacking energy: -95.806 Base-Backbone interact. energy: 3.224 local terms energy: -200.465461 where: bonds (distance) C4'-P energy: -55.555 bonds (distance) P-C4' energy: -47.475 flat angles C4'-P-C4' energy: -66.284 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: 8.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -335.521831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.521831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.521831 (E_RNA) where: Base-Base interactions energy: -147.327 where: short stacking energy: -110.925 Base-Backbone interact. energy: -2.220 local terms energy: -185.975035 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -50.765 flat angles C4'-P-C4' energy: -51.762 flat angles P-C4'-P energy: -16.936 tors. eta vs tors. theta energy: -3.778 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: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1117.705594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.705594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.705594 (E_RNA) where: Base-Base interactions energy: -752.288 where: short stacking energy: -328.991 Base-Backbone interact. energy: -2.443 local terms energy: -362.974777 where: bonds (distance) C4'-P energy: -67.529 bonds (distance) P-C4' energy: -73.933 flat angles C4'-P-C4' energy: -77.825 flat angles P-C4'-P energy: -56.668 tors. eta vs tors. theta energy: -87.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1057.850028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.850028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.850028 (E_RNA) where: Base-Base interactions energy: -718.354 where: short stacking energy: -314.044 Base-Backbone interact. energy: -1.739 local terms energy: -337.757022 where: bonds (distance) C4'-P energy: -59.857 bonds (distance) P-C4' energy: -71.147 flat angles C4'-P-C4' energy: -70.997 flat angles P-C4'-P energy: -44.859 tors. eta vs tors. theta energy: -90.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1031.443626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.443626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.443626 (E_RNA) where: Base-Base interactions energy: -682.617 where: short stacking energy: -322.613 Base-Backbone interact. energy: -3.282 local terms energy: -345.544942 where: bonds (distance) C4'-P energy: -69.569 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -72.218 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -92.305 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: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -977.426426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.426426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.426426 (E_RNA) where: Base-Base interactions energy: -648.517 where: short stacking energy: -304.733 Base-Backbone interact. energy: -0.532 local terms energy: -328.376814 where: bonds (distance) C4'-P energy: -70.290 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -41.586 tors. eta vs tors. theta energy: -84.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -956.280847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.280847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.280847 (E_RNA) where: Base-Base interactions energy: -620.614 where: short stacking energy: -295.651 Base-Backbone interact. energy: 0.674 local terms energy: -336.340875 where: bonds (distance) C4'-P energy: -66.315 bonds (distance) P-C4' energy: -63.532 flat angles C4'-P-C4' energy: -71.912 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -83.630 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: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -849.997543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.997543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.997543 (E_RNA) where: Base-Base interactions energy: -543.240 where: short stacking energy: -255.846 Base-Backbone interact. energy: -0.434 local terms energy: -306.323070 where: bonds (distance) C4'-P energy: -66.858 bonds (distance) P-C4' energy: -70.071 flat angles C4'-P-C4' energy: -72.339 flat angles P-C4'-P energy: -36.072 tors. eta vs tors. theta energy: -60.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -661.311987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.311987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.311987 (E_RNA) where: Base-Base interactions energy: -394.292 where: short stacking energy: -220.095 Base-Backbone interact. energy: -0.785 local terms energy: -266.235134 where: bonds (distance) C4'-P energy: -49.189 bonds (distance) P-C4' energy: -71.873 flat angles C4'-P-C4' energy: -56.509 flat angles P-C4'-P energy: -39.820 tors. eta vs tors. theta energy: -48.843 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: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -663.089193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.089193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.089193 (E_RNA) where: Base-Base interactions energy: -413.673 where: short stacking energy: -182.493 Base-Backbone interact. energy: -0.516 local terms energy: -248.899486 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -63.838 flat angles C4'-P-C4' energy: -59.515 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -23.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -316.558998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.558998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.558998 (E_RNA) where: Base-Base interactions energy: -136.529 where: short stacking energy: -113.884 Base-Backbone interact. energy: -0.765 local terms energy: -179.264991 where: bonds (distance) C4'-P energy: -60.255 bonds (distance) P-C4' energy: -44.879 flat angles C4'-P-C4' energy: -51.216 flat angles P-C4'-P energy: -23.090 tors. eta vs tors. theta energy: 0.175 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: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -276.203412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.203412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.203412 (E_RNA) where: Base-Base interactions energy: -96.895 where: short stacking energy: -89.077 Base-Backbone interact. energy: 2.981 local terms energy: -182.288577 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -59.107 flat angles C4'-P-C4' energy: -49.980 flat angles P-C4'-P energy: -24.777 tors. eta vs tors. theta energy: 8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1133.197919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.197919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.197919 (E_RNA) where: Base-Base interactions energy: -759.326 where: short stacking energy: -329.158 Base-Backbone interact. energy: -0.995 local terms energy: -372.877004 where: bonds (distance) C4'-P energy: -67.022 bonds (distance) P-C4' energy: -65.089 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -60.216 tors. eta vs tors. theta energy: -95.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1077.426779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.426779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.426779 (E_RNA) where: Base-Base interactions energy: -714.571 where: short stacking energy: -330.116 Base-Backbone interact. energy: -1.173 local terms energy: -361.682544 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -65.738 flat angles C4'-P-C4' energy: -80.374 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -97.502 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: 276 Temperature: 1.000000 Total energy: -1035.490243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.490243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.490243 (E_RNA) where: Base-Base interactions energy: -683.711 where: short stacking energy: -319.876 Base-Backbone interact. energy: -0.361 local terms energy: -351.418102 where: bonds (distance) C4'-P energy: -72.324 bonds (distance) P-C4' energy: -62.219 flat angles C4'-P-C4' energy: -78.086 flat angles P-C4'-P energy: -47.277 tors. eta vs tors. theta energy: -91.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -981.253704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.253704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.253704 (E_RNA) where: Base-Base interactions energy: -638.278 where: short stacking energy: -304.638 Base-Backbone interact. energy: -1.425 local terms energy: -341.550953 where: bonds (distance) C4'-P energy: -67.208 bonds (distance) P-C4' energy: -71.121 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -44.957 tors. eta vs tors. theta energy: -93.139 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: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -890.564919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.564919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.564919 (E_RNA) where: Base-Base interactions energy: -594.993 where: short stacking energy: -256.079 Base-Backbone interact. energy: 0.967 local terms energy: -296.538973 where: bonds (distance) C4'-P energy: -50.319 bonds (distance) P-C4' energy: -71.675 flat angles C4'-P-C4' energy: -66.951 flat angles P-C4'-P energy: -35.772 tors. eta vs tors. theta energy: -71.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -909.303561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.303561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.303561 (E_RNA) where: Base-Base interactions energy: -605.919 where: short stacking energy: -249.684 Base-Backbone interact. energy: -1.051 local terms energy: -302.333588 where: bonds (distance) C4'-P energy: -53.077 bonds (distance) P-C4' energy: -67.880 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -68.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -714.600477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.600477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.600477 (E_RNA) where: Base-Base interactions energy: -451.762 where: short stacking energy: -210.657 Base-Backbone interact. energy: -0.787 local terms energy: -262.052203 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -65.656 flat angles C4'-P-C4' energy: -42.318 flat angles P-C4'-P energy: -41.761 tors. eta vs tors. theta energy: -55.197 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: 276 Temperature: 1.250000 Total energy: -622.463804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.463804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.463804 (E_RNA) where: Base-Base interactions energy: -351.909 where: short stacking energy: -181.154 Base-Backbone interact. energy: 5.616 local terms energy: -276.170468 where: bonds (distance) C4'-P energy: -66.552 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -61.068 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: -37.604 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: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -307.931254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.931254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.931254 (E_RNA) where: Base-Base interactions energy: -110.770 where: short stacking energy: -90.138 Base-Backbone interact. energy: -2.684 local terms energy: -194.476732 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -50.807 flat angles P-C4'-P energy: -30.527 tors. eta vs tors. theta energy: 10.067 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: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -281.214525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.214525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.214525 (E_RNA) where: Base-Base interactions energy: -75.353 where: short stacking energy: -73.440 Base-Backbone interact. energy: 0.877 local terms energy: -206.738375 where: bonds (distance) C4'-P energy: -64.020 bonds (distance) P-C4' energy: -65.567 flat angles C4'-P-C4' energy: -43.586 flat angles P-C4'-P energy: -40.534 tors. eta vs tors. theta energy: 6.968 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: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1137.208787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.208787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.208787 (E_RNA) where: Base-Base interactions energy: -775.581 where: short stacking energy: -336.766 Base-Backbone interact. energy: -1.902 local terms energy: -359.726113 where: bonds (distance) C4'-P energy: -70.166 bonds (distance) P-C4' energy: -71.688 flat angles C4'-P-C4' energy: -77.920 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1044.804233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.804233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.804233 (E_RNA) where: Base-Base interactions energy: -688.043 where: short stacking energy: -328.813 Base-Backbone interact. energy: -2.697 local terms energy: -354.064255 where: bonds (distance) C4'-P energy: -67.858 bonds (distance) P-C4' energy: -58.370 flat angles C4'-P-C4' energy: -76.988 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -90.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1030.959190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.959190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.959190 (E_RNA) where: Base-Base interactions energy: -705.167 where: short stacking energy: -307.848 Base-Backbone interact. energy: -0.679 local terms energy: -325.113097 where: bonds (distance) C4'-P energy: -53.976 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -68.610 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -85.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -978.025164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.025164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.025164 (E_RNA) where: Base-Base interactions energy: -655.092 where: short stacking energy: -290.705 Base-Backbone interact. energy: 0.158 local terms energy: -323.091642 where: bonds (distance) C4'-P energy: -65.867 bonds (distance) P-C4' energy: -52.166 flat angles C4'-P-C4' energy: -68.258 flat angles P-C4'-P energy: -51.516 tors. eta vs tors. theta energy: -85.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -904.741055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.741055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.741055 (E_RNA) where: Base-Base interactions energy: -602.055 where: short stacking energy: -272.649 Base-Backbone interact. energy: -1.677 local terms energy: -301.009587 where: bonds (distance) C4'-P energy: -61.421 bonds (distance) P-C4' energy: -56.080 flat angles C4'-P-C4' energy: -65.231 flat angles P-C4'-P energy: -47.010 tors. eta vs tors. theta energy: -71.269 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: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -865.615884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.615884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.615884 (E_RNA) where: Base-Base interactions energy: -564.813 where: short stacking energy: -253.143 Base-Backbone interact. energy: -2.878 local terms energy: -297.925323 where: bonds (distance) C4'-P energy: -48.397 bonds (distance) P-C4' energy: -75.395 flat angles C4'-P-C4' energy: -70.723 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: -58.407 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: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -704.258985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.258985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.258985 (E_RNA) where: Base-Base interactions energy: -426.761 where: short stacking energy: -229.432 Base-Backbone interact. energy: -1.368 local terms energy: -276.130288 where: bonds (distance) C4'-P energy: -59.879 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -42.001 tors. eta vs tors. theta energy: -48.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -577.910331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.910331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.910331 (E_RNA) where: Base-Base interactions energy: -328.762 where: short stacking energy: -151.306 Base-Backbone interact. energy: -1.423 local terms energy: -247.726032 where: bonds (distance) C4'-P energy: -55.810 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -63.520 flat angles P-C4'-P energy: -31.001 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: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -337.025138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.025138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.025138 (E_RNA) where: Base-Base interactions energy: -126.278 where: short stacking energy: -113.691 Base-Backbone interact. energy: -1.187 local terms energy: -209.559592 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -62.132 flat angles C4'-P-C4' energy: -58.622 flat angles P-C4'-P energy: -28.826 tors. eta vs tors. theta energy: -4.880 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: 10, replica: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -293.249966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.249966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.249966 (E_RNA) where: Base-Base interactions energy: -129.556 where: short stacking energy: -95.506 Base-Backbone interact. energy: 0.918 local terms energy: -164.612152 where: bonds (distance) C4'-P energy: -57.948 bonds (distance) P-C4' energy: -56.004 flat angles C4'-P-C4' energy: -35.263 flat angles P-C4'-P energy: -20.903 tors. eta vs tors. theta energy: 5.507 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: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1127.399696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.399696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.399696 (E_RNA) where: Base-Base interactions energy: -782.827 where: short stacking energy: -330.079 Base-Backbone interact. energy: -2.684 local terms energy: -341.889363 where: bonds (distance) C4'-P energy: -54.782 bonds (distance) P-C4' energy: -69.907 flat angles C4'-P-C4' energy: -75.908 flat angles P-C4'-P energy: -52.017 tors. eta vs tors. theta energy: -89.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1040.889394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.889394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.889394 (E_RNA) where: Base-Base interactions energy: -682.980 where: short stacking energy: -321.628 Base-Backbone interact. energy: 0.425 local terms energy: -358.333651 where: bonds (distance) C4'-P energy: -63.223 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -76.689 flat angles P-C4'-P energy: -50.433 tors. eta vs tors. theta energy: -97.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1016.517552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.517552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.517552 (E_RNA) where: Base-Base interactions energy: -668.256 where: short stacking energy: -290.153 Base-Backbone interact. energy: 1.656 local terms energy: -349.918266 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -68.748 flat angles C4'-P-C4' energy: -77.763 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -88.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -957.283849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.283849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.283849 (E_RNA) where: Base-Base interactions energy: -645.834 where: short stacking energy: -290.111 Base-Backbone interact. energy: 2.663 local terms energy: -314.113019 where: bonds (distance) C4'-P energy: -59.024 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -67.439 flat angles P-C4'-P energy: -36.313 tors. eta vs tors. theta energy: -88.777 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: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -895.478491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.478491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.478491 (E_RNA) where: Base-Base interactions energy: -571.200 where: short stacking energy: -260.607 Base-Backbone interact. energy: -0.798 local terms energy: -323.479605 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -74.834 flat angles C4'-P-C4' energy: -68.634 flat angles P-C4'-P energy: -37.662 tors. eta vs tors. theta energy: -68.201 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: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -861.691029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.691029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.691029 (E_RNA) where: Base-Base interactions energy: -559.957 where: short stacking energy: -244.997 Base-Backbone interact. energy: 2.524 local terms energy: -304.258061 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -67.275 flat angles P-C4'-P energy: -48.046 tors. eta vs tors. theta energy: -60.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -731.995263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.995263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.995263 (E_RNA) where: Base-Base interactions energy: -481.760 where: short stacking energy: -222.571 Base-Backbone interact. energy: 0.427 local terms energy: -250.662444 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -70.362 flat angles C4'-P-C4' energy: -53.837 flat angles P-C4'-P energy: -30.695 tors. eta vs tors. theta energy: -46.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -550.699547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.699547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.699547 (E_RNA) where: Base-Base interactions energy: -324.914 where: short stacking energy: -151.368 Base-Backbone interact. energy: 0.065 local terms energy: -225.851062 where: bonds (distance) C4'-P energy: -50.012 bonds (distance) P-C4' energy: -60.599 flat angles C4'-P-C4' energy: -57.909 flat angles P-C4'-P energy: -29.733 tors. eta vs tors. theta energy: -27.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -350.452121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.452121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.452121 (E_RNA) where: Base-Base interactions energy: -149.356 where: short stacking energy: -88.708 Base-Backbone interact. energy: -1.330 local terms energy: -199.765805 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -48.461 flat angles P-C4'-P energy: -41.272 tors. eta vs tors. theta energy: 14.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -305.091641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.091641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.091641 (E_RNA) where: Base-Base interactions energy: -119.908 where: short stacking energy: -104.393 Base-Backbone interact. energy: 2.587 local terms energy: -187.769684 where: bonds (distance) C4'-P energy: -56.352 bonds (distance) P-C4' energy: -57.596 flat angles C4'-P-C4' energy: -45.993 flat angles P-C4'-P energy: -25.751 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1132.638776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.638776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.638776 (E_RNA) where: Base-Base interactions energy: -772.177 where: short stacking energy: -343.896 Base-Backbone interact. energy: -1.362 local terms energy: -359.099164 where: bonds (distance) C4'-P energy: -66.772 bonds (distance) P-C4' energy: -75.540 flat angles C4'-P-C4' energy: -77.495 flat angles P-C4'-P energy: -45.771 tors. eta vs tors. theta energy: -93.522 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: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1052.855697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.855697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.855697 (E_RNA) where: Base-Base interactions energy: -679.555 where: short stacking energy: -324.984 Base-Backbone interact. energy: -0.745 local terms energy: -372.556284 where: bonds (distance) C4'-P energy: -69.761 bonds (distance) P-C4' energy: -66.377 flat angles C4'-P-C4' energy: -86.801 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -102.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1017.926484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.926484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.926484 (E_RNA) where: Base-Base interactions energy: -676.365 where: short stacking energy: -304.472 Base-Backbone interact. energy: -0.584 local terms energy: -340.977341 where: bonds (distance) C4'-P energy: -74.736 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -72.016 flat angles P-C4'-P energy: -40.409 tors. eta vs tors. theta energy: -85.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -950.777221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.777221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.777221 (E_RNA) where: Base-Base interactions energy: -650.426 where: short stacking energy: -279.988 Base-Backbone interact. energy: -0.932 local terms energy: -299.419053 where: bonds (distance) C4'-P energy: -59.865 bonds (distance) P-C4' energy: -61.955 flat angles C4'-P-C4' energy: -64.489 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: -71.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -883.197562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.197562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.197562 (E_RNA) where: Base-Base interactions energy: -571.668 where: short stacking energy: -264.316 Base-Backbone interact. energy: -1.208 local terms energy: -310.321693 where: bonds (distance) C4'-P energy: -51.830 bonds (distance) P-C4' energy: -65.174 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -43.348 tors. eta vs tors. theta energy: -77.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -853.792938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.792938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.792938 (E_RNA) where: Base-Base interactions energy: -564.357 where: short stacking energy: -254.971 Base-Backbone interact. energy: -0.643 local terms energy: -288.792214 where: bonds (distance) C4'-P energy: -64.307 bonds (distance) P-C4' energy: -54.906 flat angles C4'-P-C4' energy: -75.335 flat angles P-C4'-P energy: -33.640 tors. eta vs tors. theta energy: -60.604 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: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -736.939127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.939127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.939127 (E_RNA) where: Base-Base interactions energy: -458.312 where: short stacking energy: -220.070 Base-Backbone interact. energy: -0.655 local terms energy: -277.972662 where: bonds (distance) C4'-P energy: -60.862 bonds (distance) P-C4' energy: -58.821 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -49.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -552.633757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.633757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.633757 (E_RNA) where: Base-Base interactions energy: -295.494 where: short stacking energy: -155.030 Base-Backbone interact. energy: 2.688 local terms energy: -259.827339 where: bonds (distance) C4'-P energy: -63.986 bonds (distance) P-C4' energy: -62.144 flat angles C4'-P-C4' energy: -53.122 flat angles P-C4'-P energy: -46.009 tors. eta vs tors. theta energy: -34.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -374.997761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.997761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.997761 (E_RNA) where: Base-Base interactions energy: -183.985 where: short stacking energy: -103.361 Base-Backbone interact. energy: 1.747 local terms energy: -192.759248 where: bonds (distance) C4'-P energy: -58.505 bonds (distance) P-C4' energy: -62.458 flat angles C4'-P-C4' energy: -47.632 flat angles P-C4'-P energy: -35.400 tors. eta vs tors. theta energy: 11.235 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: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -260.550510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.550510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.550510 (E_RNA) where: Base-Base interactions energy: -87.915 where: short stacking energy: -69.999 Base-Backbone interact. energy: -1.501 local terms energy: -171.134311 where: bonds (distance) C4'-P energy: -52.955 bonds (distance) P-C4' energy: -56.670 flat angles C4'-P-C4' energy: -36.426 flat angles P-C4'-P energy: -38.064 tors. eta vs tors. theta energy: 12.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1134.428609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.428609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.428609 (E_RNA) where: Base-Base interactions energy: -774.171 where: short stacking energy: -323.850 Base-Backbone interact. energy: -0.573 local terms energy: -359.685102 where: bonds (distance) C4'-P energy: -68.956 bonds (distance) P-C4' energy: -73.690 flat angles C4'-P-C4' energy: -72.222 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -90.660 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: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1017.480052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.480052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.480052 (E_RNA) where: Base-Base interactions energy: -679.739 where: short stacking energy: -334.104 Base-Backbone interact. energy: -1.958 local terms energy: -335.783518 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -56.158 flat angles C4'-P-C4' energy: -74.895 flat angles P-C4'-P energy: -40.217 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: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1006.040767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.040767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.040767 (E_RNA) where: Base-Base interactions energy: -684.854 where: short stacking energy: -306.011 Base-Backbone interact. energy: -1.007 local terms energy: -320.179881 where: bonds (distance) C4'-P energy: -60.637 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -66.091 flat angles P-C4'-P energy: -43.344 tors. eta vs tors. theta energy: -86.315 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: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -993.009266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.009266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.009266 (E_RNA) where: Base-Base interactions energy: -648.432 where: short stacking energy: -307.512 Base-Backbone interact. energy: -0.712 local terms energy: -343.865198 where: bonds (distance) C4'-P energy: -63.862 bonds (distance) P-C4' energy: -68.167 flat angles C4'-P-C4' energy: -71.981 flat angles P-C4'-P energy: -44.606 tors. eta vs tors. theta energy: -95.249 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: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -932.718196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.718196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.718196 (E_RNA) where: Base-Base interactions energy: -612.446 where: short stacking energy: -265.783 Base-Backbone interact. energy: -0.772 local terms energy: -319.500414 where: bonds (distance) C4'-P energy: -65.871 bonds (distance) P-C4' energy: -63.175 flat angles C4'-P-C4' energy: -61.983 flat angles P-C4'-P energy: -49.442 tors. eta vs tors. theta energy: -79.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -893.544835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.544835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.544835 (E_RNA) where: Base-Base interactions energy: -582.210 where: short stacking energy: -249.346 Base-Backbone interact. energy: 1.544 local terms energy: -312.878488 where: bonds (distance) C4'-P energy: -65.934 bonds (distance) P-C4' energy: -51.688 flat angles C4'-P-C4' energy: -71.372 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -81.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -702.546309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.546309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.546309 (E_RNA) where: Base-Base interactions energy: -433.073 where: short stacking energy: -203.669 Base-Backbone interact. energy: -0.549 local terms energy: -268.924997 where: bonds (distance) C4'-P energy: -55.510 bonds (distance) P-C4' energy: -56.905 flat angles C4'-P-C4' energy: -74.482 flat angles P-C4'-P energy: -43.276 tors. eta vs tors. theta energy: -38.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -630.816040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.816040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.816040 (E_RNA) where: Base-Base interactions energy: -398.738 where: short stacking energy: -205.334 Base-Backbone interact. energy: -0.926 local terms energy: -231.151867 where: bonds (distance) C4'-P energy: -46.472 bonds (distance) P-C4' energy: -55.117 flat angles C4'-P-C4' energy: -68.649 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: -26.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -358.876579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.876579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.876579 (E_RNA) where: Base-Base interactions energy: -170.674 where: short stacking energy: -91.585 Base-Backbone interact. energy: 0.708 local terms energy: -188.910751 where: bonds (distance) C4'-P energy: -57.947 bonds (distance) P-C4' energy: -57.299 flat angles C4'-P-C4' energy: -49.074 flat angles P-C4'-P energy: -32.327 tors. eta vs tors. theta energy: 7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -266.458545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.458545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.458545 (E_RNA) where: Base-Base interactions energy: -90.338 where: short stacking energy: -86.947 Base-Backbone interact. energy: 4.989 local terms energy: -181.109127 where: bonds (distance) C4'-P energy: -57.379 bonds (distance) P-C4' energy: -53.138 flat angles C4'-P-C4' energy: -59.613 flat angles P-C4'-P energy: -18.301 tors. eta vs tors. theta energy: 7.321 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: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1135.529266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.529266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.529266 (E_RNA) where: Base-Base interactions energy: -777.293 where: short stacking energy: -316.684 Base-Backbone interact. energy: -1.308 local terms energy: -356.928069 where: bonds (distance) C4'-P energy: -61.430 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -93.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1039.564972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.564972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.564972 (E_RNA) where: Base-Base interactions energy: -711.103 where: short stacking energy: -306.335 Base-Backbone interact. energy: -1.821 local terms energy: -326.640766 where: bonds (distance) C4'-P energy: -67.531 bonds (distance) P-C4' energy: -63.219 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -76.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1007.782116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.782116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.782116 (E_RNA) where: Base-Base interactions energy: -668.428 where: short stacking energy: -319.590 Base-Backbone interact. energy: -2.392 local terms energy: -336.962214 where: bonds (distance) C4'-P energy: -70.373 bonds (distance) P-C4' energy: -56.242 flat angles C4'-P-C4' energy: -72.405 flat angles P-C4'-P energy: -38.784 tors. eta vs tors. theta energy: -99.158 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: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1018.336413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.336413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.336413 (E_RNA) where: Base-Base interactions energy: -662.430 where: short stacking energy: -309.869 Base-Backbone interact. energy: -0.061 local terms energy: -355.845128 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -72.108 flat angles C4'-P-C4' energy: -71.661 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -94.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -941.366556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.366556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.366556 (E_RNA) where: Base-Base interactions energy: -615.469 where: short stacking energy: -269.485 Base-Backbone interact. energy: -1.380 local terms energy: -324.517340 where: bonds (distance) C4'-P energy: -69.185 bonds (distance) P-C4' energy: -59.318 flat angles C4'-P-C4' energy: -69.473 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -71.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -863.804175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.804175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.804175 (E_RNA) where: Base-Base interactions energy: -566.692 where: short stacking energy: -253.518 Base-Backbone interact. energy: -1.192 local terms energy: -295.920282 where: bonds (distance) C4'-P energy: -77.516 bonds (distance) P-C4' energy: -46.622 flat angles C4'-P-C4' energy: -63.846 flat angles P-C4'-P energy: -37.501 tors. eta vs tors. theta energy: -70.435 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: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -710.004847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.004847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.004847 (E_RNA) where: Base-Base interactions energy: -443.722 where: short stacking energy: -216.285 Base-Backbone interact. energy: -0.468 local terms energy: -265.815274 where: bonds (distance) C4'-P energy: -43.992 bonds (distance) P-C4' energy: -65.922 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -33.584 tors. eta vs tors. theta energy: -56.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -600.548549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.548549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.548549 (E_RNA) where: Base-Base interactions energy: -337.932 where: short stacking energy: -170.715 Base-Backbone interact. energy: -1.158 local terms energy: -261.457935 where: bonds (distance) C4'-P energy: -59.912 bonds (distance) P-C4' energy: -71.119 flat angles C4'-P-C4' energy: -50.425 flat angles P-C4'-P energy: -36.950 tors. eta vs tors. theta energy: -43.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -396.698025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.698025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.698025 (E_RNA) where: Base-Base interactions energy: -186.459 where: short stacking energy: -115.985 Base-Backbone interact. energy: 1.290 local terms energy: -211.529467 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -58.055 flat angles C4'-P-C4' energy: -60.648 flat angles P-C4'-P energy: -34.589 tors. eta vs tors. theta energy: 1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -281.613194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.613194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.613194 (E_RNA) where: Base-Base interactions energy: -101.774 where: short stacking energy: -72.656 Base-Backbone interact. energy: 0.547 local terms energy: -180.386106 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -54.921 flat angles C4'-P-C4' energy: -43.243 flat angles P-C4'-P energy: -33.774 tors. eta vs tors. theta energy: 7.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1115.439605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.439605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.439605 (E_RNA) where: Base-Base interactions energy: -762.105 where: short stacking energy: -334.742 Base-Backbone interact. energy: 0.292 local terms energy: -353.626141 where: bonds (distance) C4'-P energy: -61.896 bonds (distance) P-C4' energy: -67.206 flat angles C4'-P-C4' energy: -76.430 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1028.204420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.204420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.204420 (E_RNA) where: Base-Base interactions energy: -675.360 where: short stacking energy: -302.595 Base-Backbone interact. energy: -2.583 local terms energy: -350.261988 where: bonds (distance) C4'-P energy: -66.396 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -73.988 flat angles P-C4'-P energy: -52.623 tors. eta vs tors. theta energy: -86.458 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: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -978.134336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.134336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.134336 (E_RNA) where: Base-Base interactions energy: -637.753 where: short stacking energy: -295.820 Base-Backbone interact. energy: -0.288 local terms energy: -340.093288 where: bonds (distance) C4'-P energy: -67.102 bonds (distance) P-C4' energy: -60.613 flat angles C4'-P-C4' energy: -73.092 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -86.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -981.853111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.853111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.853111 (E_RNA) where: Base-Base interactions energy: -644.729 where: short stacking energy: -309.247 Base-Backbone interact. energy: -1.941 local terms energy: -335.182911 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -74.949 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -89.980 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: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -917.662564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.662564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.662564 (E_RNA) where: Base-Base interactions energy: -603.383 where: short stacking energy: -260.245 Base-Backbone interact. energy: 0.382 local terms energy: -314.662189 where: bonds (distance) C4'-P energy: -58.486 bonds (distance) P-C4' energy: -64.574 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -41.499 tors. eta vs tors. theta energy: -78.201 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: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -909.877204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.877204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.877204 (E_RNA) where: Base-Base interactions energy: -605.585 where: short stacking energy: -278.402 Base-Backbone interact. energy: -0.030 local terms energy: -304.262340 where: bonds (distance) C4'-P energy: -48.694 bonds (distance) P-C4' energy: -66.243 flat angles C4'-P-C4' energy: -64.843 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: -73.455 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: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -733.566748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.566748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.566748 (E_RNA) where: Base-Base interactions energy: -473.024 where: short stacking energy: -217.021 Base-Backbone interact. energy: -0.829 local terms energy: -259.713840 where: bonds (distance) C4'-P energy: -54.383 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -61.998 flat angles P-C4'-P energy: -35.328 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -627.849576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.849576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.849576 (E_RNA) where: Base-Base interactions energy: -380.423 where: short stacking energy: -178.072 Base-Backbone interact. energy: -1.697 local terms energy: -245.729355 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -56.500 flat angles P-C4'-P energy: -32.801 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: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -365.784341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.784341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.784341 (E_RNA) where: Base-Base interactions energy: -174.991 where: short stacking energy: -124.294 Base-Backbone interact. energy: -1.367 local terms energy: -189.426548 where: bonds (distance) C4'-P energy: -50.722 bonds (distance) P-C4' energy: -57.550 flat angles C4'-P-C4' energy: -51.727 flat angles P-C4'-P energy: -24.435 tors. eta vs tors. theta energy: -4.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -284.466421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.466421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.466421 (E_RNA) where: Base-Base interactions energy: -132.674 where: short stacking energy: -111.685 Base-Backbone interact. energy: 1.369 local terms energy: -153.161956 where: bonds (distance) C4'-P energy: -52.954 bonds (distance) P-C4' energy: -41.780 flat angles C4'-P-C4' energy: -39.971 flat angles P-C4'-P energy: -16.867 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1124.520943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.520943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.520943 (E_RNA) where: Base-Base interactions energy: -762.105 where: short stacking energy: -333.215 Base-Backbone interact. energy: -1.460 local terms energy: -360.955207 where: bonds (distance) C4'-P energy: -70.616 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -73.916 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -94.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1043.569380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.569380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.569380 (E_RNA) where: Base-Base interactions energy: -693.596 where: short stacking energy: -312.483 Base-Backbone interact. energy: -1.568 local terms energy: -348.405933 where: bonds (distance) C4'-P energy: -65.412 bonds (distance) P-C4' energy: -68.499 flat angles C4'-P-C4' energy: -77.321 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -87.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1013.684084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.684084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.684084 (E_RNA) where: Base-Base interactions energy: -656.241 where: short stacking energy: -314.707 Base-Backbone interact. energy: -1.546 local terms energy: -355.896684 where: bonds (distance) C4'-P energy: -65.580 bonds (distance) P-C4' energy: -72.278 flat angles C4'-P-C4' energy: -72.245 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: -90.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -987.506224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.506224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.506224 (E_RNA) where: Base-Base interactions energy: -643.759 where: short stacking energy: -289.727 Base-Backbone interact. energy: -1.020 local terms energy: -342.727066 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -68.429 flat angles C4'-P-C4' energy: -73.573 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -83.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -874.848826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.848826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.848826 (E_RNA) where: Base-Base interactions energy: -565.988 where: short stacking energy: -250.292 Base-Backbone interact. energy: -1.160 local terms energy: -307.700037 where: bonds (distance) C4'-P energy: -49.092 bonds (distance) P-C4' energy: -74.774 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -44.640 tors. eta vs tors. theta energy: -72.061 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: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -839.287926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.287926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.287926 (E_RNA) where: Base-Base interactions energy: -545.124 where: short stacking energy: -245.984 Base-Backbone interact. energy: -0.512 local terms energy: -293.651391 where: bonds (distance) C4'-P energy: -61.219 bonds (distance) P-C4' energy: -63.524 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: -66.315 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: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -742.832538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.832538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.832538 (E_RNA) where: Base-Base interactions energy: -474.143 where: short stacking energy: -223.068 Base-Backbone interact. energy: -2.630 local terms energy: -266.059374 where: bonds (distance) C4'-P energy: -52.796 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -53.746 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -42.234 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: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -591.136358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.136358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.136358 (E_RNA) where: Base-Base interactions energy: -349.828 where: short stacking energy: -159.782 Base-Backbone interact. energy: 1.337 local terms energy: -242.645631 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -69.974 flat angles C4'-P-C4' energy: -53.652 flat angles P-C4'-P energy: -36.335 tors. eta vs tors. theta energy: -27.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -408.912981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.912981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.912981 (E_RNA) where: Base-Base interactions energy: -191.464 where: short stacking energy: -140.625 Base-Backbone interact. energy: 4.729 local terms energy: -222.177812 where: bonds (distance) C4'-P energy: -53.052 bonds (distance) P-C4' energy: -57.516 flat angles C4'-P-C4' energy: -58.200 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: -17.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -277.851451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.851451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.851451 (E_RNA) where: Base-Base interactions energy: -92.100 where: short stacking energy: -79.889 Base-Backbone interact. energy: 0.743 local terms energy: -186.494714 where: bonds (distance) C4'-P energy: -41.263 bonds (distance) P-C4' energy: -56.936 flat angles C4'-P-C4' energy: -62.480 flat angles P-C4'-P energy: -35.313 tors. eta vs tors. theta energy: 9.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1116.317416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.317416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.317416 (E_RNA) where: Base-Base interactions energy: -762.253 where: short stacking energy: -306.900 Base-Backbone interact. energy: -2.552 local terms energy: -351.512009 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -71.059 flat angles C4'-P-C4' energy: -78.352 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: -85.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1035.101925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.101925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.101925 (E_RNA) where: Base-Base interactions energy: -689.145 where: short stacking energy: -317.153 Base-Backbone interact. energy: -0.875 local terms energy: -345.081418 where: bonds (distance) C4'-P energy: -67.751 bonds (distance) P-C4' energy: -60.259 flat angles C4'-P-C4' energy: -75.568 flat angles P-C4'-P energy: -52.170 tors. eta vs tors. theta energy: -89.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1022.549737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.549737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.549737 (E_RNA) where: Base-Base interactions energy: -658.767 where: short stacking energy: -302.330 Base-Backbone interact. energy: -0.577 local terms energy: -363.206185 where: bonds (distance) C4'-P energy: -68.233 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -79.506 flat angles P-C4'-P energy: -53.133 tors. eta vs tors. theta energy: -95.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -956.983466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.983466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.983466 (E_RNA) where: Base-Base interactions energy: -615.516 where: short stacking energy: -286.097 Base-Backbone interact. energy: -1.249 local terms energy: -340.217748 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -71.976 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -925.465478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.465478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.465478 (E_RNA) where: Base-Base interactions energy: -610.076 where: short stacking energy: -278.715 Base-Backbone interact. energy: -2.454 local terms energy: -312.935700 where: bonds (distance) C4'-P energy: -56.823 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -67.072 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -81.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -879.596289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.596289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.596289 (E_RNA) where: Base-Base interactions energy: -568.240 where: short stacking energy: -268.507 Base-Backbone interact. energy: -2.815 local terms energy: -308.542141 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -73.504 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -62.078 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: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -743.767913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.767913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.767913 (E_RNA) where: Base-Base interactions energy: -475.369 where: short stacking energy: -200.278 Base-Backbone interact. energy: -1.974 local terms energy: -266.425210 where: bonds (distance) C4'-P energy: -69.705 bonds (distance) P-C4' energy: -52.247 flat angles C4'-P-C4' energy: -61.508 flat angles P-C4'-P energy: -35.056 tors. eta vs tors. theta energy: -47.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -558.603959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.603959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.603959 (E_RNA) where: Base-Base interactions energy: -341.252 where: short stacking energy: -157.868 Base-Backbone interact. energy: 0.099 local terms energy: -217.450960 where: bonds (distance) C4'-P energy: -50.795 bonds (distance) P-C4' energy: -44.981 flat angles C4'-P-C4' energy: -58.953 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -25.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -391.075806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.075806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.075806 (E_RNA) where: Base-Base interactions energy: -199.071 where: short stacking energy: -116.418 Base-Backbone interact. energy: -0.400 local terms energy: -191.605557 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -61.521 flat angles C4'-P-C4' energy: -49.188 flat angles P-C4'-P energy: -18.063 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -273.016484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.016484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.016484 (E_RNA) where: Base-Base interactions energy: -92.199 where: short stacking energy: -90.875 Base-Backbone interact. energy: -1.382 local terms energy: -179.435736 where: bonds (distance) C4'-P energy: -44.503 bonds (distance) P-C4' energy: -63.347 flat angles C4'-P-C4' energy: -49.500 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: 12.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1130.528889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.528889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.528889 (E_RNA) where: Base-Base interactions energy: -779.432 where: short stacking energy: -329.259 Base-Backbone interact. energy: 0.828 local terms energy: -351.925587 where: bonds (distance) C4'-P energy: -60.500 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -74.187 flat angles P-C4'-P energy: -51.441 tors. eta vs tors. theta energy: -94.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1032.073706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.073706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.073706 (E_RNA) where: Base-Base interactions energy: -697.211 where: short stacking energy: -328.653 Base-Backbone interact. energy: -2.921 local terms energy: -331.940912 where: bonds (distance) C4'-P energy: -70.539 bonds (distance) P-C4' energy: -58.210 flat angles C4'-P-C4' energy: -70.107 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -87.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1059.545354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.545354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.545354 (E_RNA) where: Base-Base interactions energy: -702.583 where: short stacking energy: -310.730 Base-Backbone interact. energy: -1.261 local terms energy: -355.700702 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -74.330 flat angles C4'-P-C4' energy: -74.189 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -86.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -968.448771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.448771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.448771 (E_RNA) where: Base-Base interactions energy: -655.743 where: short stacking energy: -303.653 Base-Backbone interact. energy: 3.086 local terms energy: -315.791200 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -54.902 flat angles P-C4'-P energy: -44.369 tors. eta vs tors. theta energy: -88.359 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: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -951.034698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.034698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.034698 (E_RNA) where: Base-Base interactions energy: -626.178 where: short stacking energy: -268.143 Base-Backbone interact. energy: -1.832 local terms energy: -323.024778 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -68.033 flat angles C4'-P-C4' energy: -65.734 flat angles P-C4'-P energy: -44.352 tors. eta vs tors. theta energy: -82.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -871.702627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.702627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.702627 (E_RNA) where: Base-Base interactions energy: -559.538 where: short stacking energy: -261.508 Base-Backbone interact. energy: -2.905 local terms energy: -309.259163 where: bonds (distance) C4'-P energy: -55.380 bonds (distance) P-C4' energy: -66.808 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -50.795 tors. eta vs tors. theta energy: -64.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -766.302503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.302503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.302503 (E_RNA) where: Base-Base interactions energy: -480.964 where: short stacking energy: -228.245 Base-Backbone interact. energy: -0.551 local terms energy: -284.788062 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -61.353 flat angles P-C4'-P energy: -33.094 tors. eta vs tors. theta energy: -62.338 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: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -587.385944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.385944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.385944 (E_RNA) where: Base-Base interactions energy: -334.646 where: short stacking energy: -169.501 Base-Backbone interact. energy: 4.176 local terms energy: -256.916147 where: bonds (distance) C4'-P energy: -63.838 bonds (distance) P-C4' energy: -64.758 flat angles C4'-P-C4' energy: -53.880 flat angles P-C4'-P energy: -42.917 tors. eta vs tors. theta energy: -31.522 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: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -368.739981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.739981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.739981 (E_RNA) where: Base-Base interactions energy: -166.006 where: short stacking energy: -91.869 Base-Backbone interact. energy: -0.538 local terms energy: -202.196605 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -57.531 flat angles C4'-P-C4' energy: -53.493 flat angles P-C4'-P energy: -23.106 tors. eta vs tors. theta energy: 1.217 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: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -284.589080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.589080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.589080 (E_RNA) where: Base-Base interactions energy: -87.699 where: short stacking energy: -80.830 Base-Backbone interact. energy: -1.576 local terms energy: -195.313836 where: bonds (distance) C4'-P energy: -46.994 bonds (distance) P-C4' energy: -72.545 flat angles C4'-P-C4' energy: -43.709 flat angles P-C4'-P energy: -32.694 tors. eta vs tors. theta energy: 0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1139.414513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.414513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.414513 (E_RNA) where: Base-Base interactions energy: -785.201 where: short stacking energy: -335.926 Base-Backbone interact. energy: -0.631 local terms energy: -353.582893 where: bonds (distance) C4'-P energy: -61.745 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -77.016 flat angles P-C4'-P energy: -52.460 tors. eta vs tors. theta energy: -92.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1046.256292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.256292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.256292 (E_RNA) where: Base-Base interactions energy: -678.476 where: short stacking energy: -307.435 Base-Backbone interact. energy: -1.377 local terms energy: -366.403263 where: bonds (distance) C4'-P energy: -65.427 bonds (distance) P-C4' energy: -79.529 flat angles C4'-P-C4' energy: -81.491 flat angles P-C4'-P energy: -53.708 tors. eta vs tors. theta energy: -86.248 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: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1037.304001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.304001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.304001 (E_RNA) where: Base-Base interactions energy: -681.847 where: short stacking energy: -322.483 Base-Backbone interact. energy: -0.571 local terms energy: -354.886176 where: bonds (distance) C4'-P energy: -69.053 bonds (distance) P-C4' energy: -60.346 flat angles C4'-P-C4' energy: -77.690 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -101.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1002.037794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.037794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.037794 (E_RNA) where: Base-Base interactions energy: -654.816 where: short stacking energy: -315.657 Base-Backbone interact. energy: -1.011 local terms energy: -346.210747 where: bonds (distance) C4'-P energy: -49.673 bonds (distance) P-C4' energy: -73.282 flat angles C4'-P-C4' energy: -79.047 flat angles P-C4'-P energy: -50.776 tors. eta vs tors. theta energy: -93.433 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: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -915.958827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.958827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.958827 (E_RNA) where: Base-Base interactions energy: -617.497 where: short stacking energy: -250.770 Base-Backbone interact. energy: 0.041 local terms energy: -298.503053 where: bonds (distance) C4'-P energy: -53.226 bonds (distance) P-C4' energy: -62.754 flat angles C4'-P-C4' energy: -74.660 flat angles P-C4'-P energy: -36.773 tors. eta vs tors. theta energy: -71.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -824.629352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.629352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.629352 (E_RNA) where: Base-Base interactions energy: -530.961 where: short stacking energy: -240.921 Base-Backbone interact. energy: -0.874 local terms energy: -292.793532 where: bonds (distance) C4'-P energy: -68.261 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -57.597 flat angles P-C4'-P energy: -42.477 tors. eta vs tors. theta energy: -59.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -740.204431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.204431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.204431 (E_RNA) where: Base-Base interactions energy: -475.833 where: short stacking energy: -217.345 Base-Backbone interact. energy: -0.723 local terms energy: -263.647870 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -50.014 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -34.393 tors. eta vs tors. theta energy: -56.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -593.259627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.259627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.259627 (E_RNA) where: Base-Base interactions energy: -348.742 where: short stacking energy: -159.916 Base-Backbone interact. energy: -0.909 local terms energy: -243.609056 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -48.237 flat angles C4'-P-C4' energy: -60.965 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -30.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -349.036478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.036478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.036478 (E_RNA) where: Base-Base interactions energy: -166.786 where: short stacking energy: -99.236 Base-Backbone interact. energy: 2.108 local terms energy: -184.358829 where: bonds (distance) C4'-P energy: -46.629 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -44.862 flat angles P-C4'-P energy: -29.582 tors. eta vs tors. theta energy: 3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -286.619835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.619835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.619835 (E_RNA) where: Base-Base interactions energy: -103.610 where: short stacking energy: -84.354 Base-Backbone interact. energy: -1.822 local terms energy: -181.187557 where: bonds (distance) C4'-P energy: -63.682 bonds (distance) P-C4' energy: -57.252 flat angles C4'-P-C4' energy: -44.946 flat angles P-C4'-P energy: -27.892 tors. eta vs tors. theta energy: 12.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1123.405316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.405316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.405316 (E_RNA) where: Base-Base interactions energy: -754.074 where: short stacking energy: -338.193 Base-Backbone interact. energy: -1.886 local terms energy: -367.445289 where: bonds (distance) C4'-P energy: -70.313 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -76.472 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: -97.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1046.708058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.708058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.708058 (E_RNA) where: Base-Base interactions energy: -688.195 where: short stacking energy: -319.069 Base-Backbone interact. energy: -1.123 local terms energy: -357.390141 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -76.013 flat angles C4'-P-C4' energy: -80.589 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -83.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1019.045310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.045310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.045310 (E_RNA) where: Base-Base interactions energy: -661.224 where: short stacking energy: -307.215 Base-Backbone interact. energy: 0.414 local terms energy: -358.234618 where: bonds (distance) C4'-P energy: -69.385 bonds (distance) P-C4' energy: -68.895 flat angles C4'-P-C4' energy: -75.972 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -96.175 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -982.606259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.606259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.606259 (E_RNA) where: Base-Base interactions energy: -646.200 where: short stacking energy: -295.769 Base-Backbone interact. energy: -0.350 local terms energy: -336.056563 where: bonds (distance) C4'-P energy: -71.194 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -48.886 tors. eta vs tors. theta energy: -76.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -899.842448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.842448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.842448 (E_RNA) where: Base-Base interactions energy: -601.234 where: short stacking energy: -270.264 Base-Backbone interact. energy: -2.145 local terms energy: -296.463846 where: bonds (distance) C4'-P energy: -67.543 bonds (distance) P-C4' energy: -57.368 flat angles C4'-P-C4' energy: -72.962 flat angles P-C4'-P energy: -27.568 tors. eta vs tors. theta energy: -71.023 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: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -815.112667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.112667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.112667 (E_RNA) where: Base-Base interactions energy: -534.126 where: short stacking energy: -227.869 Base-Backbone interact. energy: 0.511 local terms energy: -281.497069 where: bonds (distance) C4'-P energy: -55.216 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -75.956 flat angles P-C4'-P energy: -44.499 tors. eta vs tors. theta energy: -47.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -756.987904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.987904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.987904 (E_RNA) where: Base-Base interactions energy: -476.974 where: short stacking energy: -204.063 Base-Backbone interact. energy: -0.444 local terms energy: -279.569288 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -58.878 flat angles C4'-P-C4' energy: -64.423 flat angles P-C4'-P energy: -38.250 tors. eta vs tors. theta energy: -53.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -637.993680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.993680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.993680 (E_RNA) where: Base-Base interactions energy: -400.600 where: short stacking energy: -202.706 Base-Backbone interact. energy: -1.049 local terms energy: -236.344936 where: bonds (distance) C4'-P energy: -55.386 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -63.602 flat angles P-C4'-P energy: -23.446 tors. eta vs tors. theta energy: -39.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -390.256930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.256930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.256930 (E_RNA) where: Base-Base interactions energy: -183.625 where: short stacking energy: -113.504 Base-Backbone interact. energy: -1.390 local terms energy: -205.242181 where: bonds (distance) C4'-P energy: -51.794 bonds (distance) P-C4' energy: -49.826 flat angles C4'-P-C4' energy: -50.959 flat angles P-C4'-P energy: -41.148 tors. eta vs tors. theta energy: -11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -289.019423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.019423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.019423 (E_RNA) where: Base-Base interactions energy: -105.088 where: short stacking energy: -71.855 Base-Backbone interact. energy: -1.635 local terms energy: -182.295912 where: bonds (distance) C4'-P energy: -57.429 bonds (distance) P-C4' energy: -58.676 flat angles C4'-P-C4' energy: -46.730 flat angles P-C4'-P energy: -27.288 tors. eta vs tors. theta energy: 7.828 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: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1137.747415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.747415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.747415 (E_RNA) where: Base-Base interactions energy: -773.083 where: short stacking energy: -320.565 Base-Backbone interact. energy: 0.732 local terms energy: -365.396856 where: bonds (distance) C4'-P energy: -71.293 bonds (distance) P-C4' energy: -68.706 flat angles C4'-P-C4' energy: -78.509 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -90.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1039.198942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.198942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.198942 (E_RNA) where: Base-Base interactions energy: -692.912 where: short stacking energy: -314.256 Base-Backbone interact. energy: -2.421 local terms energy: -343.866553 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -68.103 flat angles C4'-P-C4' energy: -76.713 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -82.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1007.665871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.665871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.665871 (E_RNA) where: Base-Base interactions energy: -673.740 where: short stacking energy: -327.545 Base-Backbone interact. energy: -1.840 local terms energy: -332.085105 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -58.716 flat angles C4'-P-C4' energy: -70.575 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -100.139 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: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -962.308083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.308083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.308083 (E_RNA) where: Base-Base interactions energy: -640.803 where: short stacking energy: -305.674 Base-Backbone interact. energy: -0.891 local terms energy: -320.614251 where: bonds (distance) C4'-P energy: -60.690 bonds (distance) P-C4' energy: -58.353 flat angles C4'-P-C4' energy: -74.355 flat angles P-C4'-P energy: -40.683 tors. eta vs tors. theta energy: -86.533 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: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -932.876695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.876695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.876695 (E_RNA) where: Base-Base interactions energy: -633.846 where: short stacking energy: -280.688 Base-Backbone interact. energy: 0.255 local terms energy: -299.285249 where: bonds (distance) C4'-P energy: -48.478 bonds (distance) P-C4' energy: -57.481 flat angles C4'-P-C4' energy: -67.412 flat angles P-C4'-P energy: -52.182 tors. eta vs tors. theta energy: -73.732 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: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -855.546817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.546817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.546817 (E_RNA) where: Base-Base interactions energy: -559.538 where: short stacking energy: -253.466 Base-Backbone interact. energy: 0.172 local terms energy: -296.181207 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -65.912 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -38.077 tors. eta vs tors. theta energy: -61.809 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: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -734.233610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.233610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.233610 (E_RNA) where: Base-Base interactions energy: -466.121 where: short stacking energy: -206.342 Base-Backbone interact. energy: -1.225 local terms energy: -266.886843 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -40.395 tors. eta vs tors. theta energy: -35.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -589.734017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.734017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.734017 (E_RNA) where: Base-Base interactions energy: -344.036 where: short stacking energy: -162.116 Base-Backbone interact. energy: -0.534 local terms energy: -245.164122 where: bonds (distance) C4'-P energy: -63.913 bonds (distance) P-C4' energy: -53.257 flat angles C4'-P-C4' energy: -52.908 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -36.056 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: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -376.938105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.938105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.938105 (E_RNA) where: Base-Base interactions energy: -164.457 where: short stacking energy: -109.235 Base-Backbone interact. energy: 0.381 local terms energy: -212.861914 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -51.751 flat angles C4'-P-C4' energy: -55.609 flat angles P-C4'-P energy: -41.009 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -293.296231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.296231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.296231 (E_RNA) where: Base-Base interactions energy: -107.141 where: short stacking energy: -74.895 Base-Backbone interact. energy: 0.782 local terms energy: -186.936766 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -64.432 flat angles C4'-P-C4' energy: -49.846 flat angles P-C4'-P energy: -26.539 tors. eta vs tors. theta energy: 8.225 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: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1105.920265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.920265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.920265 (E_RNA) where: Base-Base interactions energy: -738.971 where: short stacking energy: -324.313 Base-Backbone interact. energy: -1.025 local terms energy: -365.923451 where: bonds (distance) C4'-P energy: -64.610 bonds (distance) P-C4' energy: -77.523 flat angles C4'-P-C4' energy: -78.044 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -88.546 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: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1048.599298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.599298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.599298 (E_RNA) where: Base-Base interactions energy: -698.899 where: short stacking energy: -285.817 Base-Backbone interact. energy: -1.831 local terms energy: -347.869136 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -51.677 tors. eta vs tors. theta energy: -73.755 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: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1040.070347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.070347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.070347 (E_RNA) where: Base-Base interactions energy: -691.984 where: short stacking energy: -312.848 Base-Backbone interact. energy: -1.460 local terms energy: -346.625943 where: bonds (distance) C4'-P energy: -66.185 bonds (distance) P-C4' energy: -66.007 flat angles C4'-P-C4' energy: -73.242 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -94.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -962.518750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.518750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.518750 (E_RNA) where: Base-Base interactions energy: -637.170 where: short stacking energy: -294.214 Base-Backbone interact. energy: -0.445 local terms energy: -324.903899 where: bonds (distance) C4'-P energy: -54.881 bonds (distance) P-C4' energy: -57.366 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -95.388 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: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -901.556998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.556998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.556998 (E_RNA) where: Base-Base interactions energy: -599.989 where: short stacking energy: -275.300 Base-Backbone interact. energy: 1.394 local terms energy: -302.962570 where: bonds (distance) C4'-P energy: -51.533 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -45.608 tors. eta vs tors. theta energy: -78.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -852.162703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.162703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.162703 (E_RNA) where: Base-Base interactions energy: -551.854 where: short stacking energy: -251.542 Base-Backbone interact. energy: -2.533 local terms energy: -297.776479 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -66.505 flat angles C4'-P-C4' energy: -73.560 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: -61.238 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: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -780.686533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.686533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.686533 (E_RNA) where: Base-Base interactions energy: -497.428 where: short stacking energy: -259.995 Base-Backbone interact. energy: 0.898 local terms energy: -284.156952 where: bonds (distance) C4'-P energy: -52.889 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -38.901 tors. eta vs tors. theta energy: -61.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -632.068634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.068634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.068634 (E_RNA) where: Base-Base interactions energy: -381.083 where: short stacking energy: -195.903 Base-Backbone interact. energy: -1.251 local terms energy: -249.735238 where: bonds (distance) C4'-P energy: -67.027 bonds (distance) P-C4' energy: -56.151 flat angles C4'-P-C4' energy: -52.094 flat angles P-C4'-P energy: -29.848 tors. eta vs tors. theta energy: -44.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -385.215048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.215048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.215048 (E_RNA) where: Base-Base interactions energy: -182.665 where: short stacking energy: -117.091 Base-Backbone interact. energy: 0.203 local terms energy: -202.753847 where: bonds (distance) C4'-P energy: -44.686 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -41.981 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -285.854292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.854292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.854292 (E_RNA) where: Base-Base interactions energy: -105.511 where: short stacking energy: -92.109 Base-Backbone interact. energy: -1.022 local terms energy: -179.320876 where: bonds (distance) C4'-P energy: -58.370 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -46.138 flat angles P-C4'-P energy: -28.432 tors. eta vs tors. theta energy: 15.142 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: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1116.941994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.941994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.941994 (E_RNA) where: Base-Base interactions energy: -758.670 where: short stacking energy: -339.066 Base-Backbone interact. energy: 0.603 local terms energy: -358.874846 where: bonds (distance) C4'-P energy: -60.319 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -71.199 flat angles P-C4'-P energy: -52.089 tors. eta vs tors. theta energy: -96.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1052.755397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.755397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.755397 (E_RNA) where: Base-Base interactions energy: -694.695 where: short stacking energy: -323.692 Base-Backbone interact. energy: -1.498 local terms energy: -356.563161 where: bonds (distance) C4'-P energy: -65.738 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -83.125 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -83.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1063.490940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.490940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.490940 (E_RNA) where: Base-Base interactions energy: -703.723 where: short stacking energy: -337.925 Base-Backbone interact. energy: -2.239 local terms energy: -357.528153 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -70.829 flat angles C4'-P-C4' energy: -73.864 flat angles P-C4'-P energy: -50.117 tors. eta vs tors. theta energy: -105.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -993.529869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.529869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.529869 (E_RNA) where: Base-Base interactions energy: -654.940 where: short stacking energy: -299.384 Base-Backbone interact. energy: -0.749 local terms energy: -337.840478 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -69.316 flat angles C4'-P-C4' energy: -74.312 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -84.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -924.218495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.218495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.218495 (E_RNA) where: Base-Base interactions energy: -615.435 where: short stacking energy: -267.672 Base-Backbone interact. energy: -0.561 local terms energy: -308.222553 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -63.884 flat angles P-C4'-P energy: -31.399 tors. eta vs tors. theta energy: -85.113 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: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -832.146974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.146974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.146974 (E_RNA) where: Base-Base interactions energy: -542.703 where: short stacking energy: -250.600 Base-Backbone interact. energy: -1.982 local terms energy: -287.461686 where: bonds (distance) C4'-P energy: -54.891 bonds (distance) P-C4' energy: -66.264 flat angles C4'-P-C4' energy: -60.008 flat angles P-C4'-P energy: -40.599 tors. eta vs tors. theta energy: -65.699 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: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -780.758312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.758312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.758312 (E_RNA) where: Base-Base interactions energy: -487.886 where: short stacking energy: -216.336 Base-Backbone interact. energy: -1.213 local terms energy: -291.659332 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -66.699 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -56.381 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: 290 Temperature: 1.250000 Total energy: -547.524407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.524407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.524407 (E_RNA) where: Base-Base interactions energy: -312.246 where: short stacking energy: -150.988 Base-Backbone interact. energy: -1.556 local terms energy: -233.721596 where: bonds (distance) C4'-P energy: -50.351 bonds (distance) P-C4' energy: -55.428 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -44.047 tors. eta vs tors. theta energy: -23.070 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: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -416.580293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.580293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.580293 (E_RNA) where: Base-Base interactions energy: -213.651 where: short stacking energy: -112.782 Base-Backbone interact. energy: 0.316 local terms energy: -203.245729 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -30.301 tors. eta vs tors. theta energy: 0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -295.517253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.517253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.517253 (E_RNA) where: Base-Base interactions energy: -118.884 where: short stacking energy: -91.422 Base-Backbone interact. energy: -0.153 local terms energy: -176.480178 where: bonds (distance) C4'-P energy: -51.628 bonds (distance) P-C4' energy: -61.827 flat angles C4'-P-C4' energy: -35.530 flat angles P-C4'-P energy: -26.789 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: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1096.761248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.761248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.761248 (E_RNA) where: Base-Base interactions energy: -738.361 where: short stacking energy: -314.036 Base-Backbone interact. energy: -1.513 local terms energy: -356.886802 where: bonds (distance) C4'-P energy: -71.483 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -77.778 flat angles P-C4'-P energy: -46.455 tors. eta vs tors. theta energy: -95.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1053.592505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.592505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.592505 (E_RNA) where: Base-Base interactions energy: -701.515 where: short stacking energy: -328.376 Base-Backbone interact. energy: -1.684 local terms energy: -350.392919 where: bonds (distance) C4'-P energy: -57.388 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -71.038 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: -91.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1042.693748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.693748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.693748 (E_RNA) where: Base-Base interactions energy: -694.258 where: short stacking energy: -320.393 Base-Backbone interact. energy: 0.109 local terms energy: -348.544465 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -60.717 flat angles C4'-P-C4' energy: -77.525 flat angles P-C4'-P energy: -52.917 tors. eta vs tors. theta energy: -92.853 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: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -975.272318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.272318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.272318 (E_RNA) where: Base-Base interactions energy: -636.201 where: short stacking energy: -278.301 Base-Backbone interact. energy: 0.636 local terms energy: -339.707621 where: bonds (distance) C4'-P energy: -69.549 bonds (distance) P-C4' energy: -64.298 flat angles C4'-P-C4' energy: -79.561 flat angles P-C4'-P energy: -48.635 tors. eta vs tors. theta energy: -77.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -930.606112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.606112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.606112 (E_RNA) where: Base-Base interactions energy: -605.558 where: short stacking energy: -278.960 Base-Backbone interact. energy: -2.122 local terms energy: -322.925946 where: bonds (distance) C4'-P energy: -58.410 bonds (distance) P-C4' energy: -66.074 flat angles C4'-P-C4' energy: -70.917 flat angles P-C4'-P energy: -40.982 tors. eta vs tors. theta energy: -86.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -848.187471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.187471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.187471 (E_RNA) where: Base-Base interactions energy: -543.547 where: short stacking energy: -243.263 Base-Backbone interact. energy: -0.211 local terms energy: -304.429249 where: bonds (distance) C4'-P energy: -53.195 bonds (distance) P-C4' energy: -56.598 flat angles C4'-P-C4' energy: -74.776 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -76.595 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: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -754.935875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.935875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.935875 (E_RNA) where: Base-Base interactions energy: -472.720 where: short stacking energy: -204.198 Base-Backbone interact. energy: 2.860 local terms energy: -285.076404 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -60.657 flat angles C4'-P-C4' energy: -63.985 flat angles P-C4'-P energy: -43.575 tors. eta vs tors. theta energy: -57.962 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: 291 Temperature: 1.250000 Total energy: -602.156357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.156357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.156357 (E_RNA) where: Base-Base interactions energy: -366.555 where: short stacking energy: -176.622 Base-Backbone interact. energy: -1.273 local terms energy: -234.328174 where: bonds (distance) C4'-P energy: -61.855 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -28.232 tors. eta vs tors. theta energy: -33.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -369.087410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.087410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.087410 (E_RNA) where: Base-Base interactions energy: -178.439 where: short stacking energy: -98.975 Base-Backbone interact. energy: -0.775 local terms energy: -189.873012 where: bonds (distance) C4'-P energy: -44.671 bonds (distance) P-C4' energy: -54.881 flat angles C4'-P-C4' energy: -61.897 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: 7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -293.699024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.699024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.699024 (E_RNA) where: Base-Base interactions energy: -114.005 where: short stacking energy: -103.080 Base-Backbone interact. energy: 2.374 local terms energy: -182.067943 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -62.082 flat angles C4'-P-C4' energy: -40.626 flat angles P-C4'-P energy: -25.617 tors. eta vs tors. theta energy: 11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1115.856518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.856518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.856518 (E_RNA) where: Base-Base interactions energy: -772.105 where: short stacking energy: -318.139 Base-Backbone interact. energy: -2.476 local terms energy: -341.275727 where: bonds (distance) C4'-P energy: -69.233 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -70.291 flat angles P-C4'-P energy: -43.125 tors. eta vs tors. theta energy: -88.583 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: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1079.757944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.757944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.757944 (E_RNA) where: Base-Base interactions energy: -708.747 where: short stacking energy: -325.985 Base-Backbone interact. energy: -1.433 local terms energy: -369.577968 where: bonds (distance) C4'-P energy: -70.902 bonds (distance) P-C4' energy: -72.048 flat angles C4'-P-C4' energy: -79.606 flat angles P-C4'-P energy: -53.443 tors. eta vs tors. theta energy: -93.579 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: 292 Temperature: 1.000000 Total energy: -1017.318025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.318025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.318025 (E_RNA) where: Base-Base interactions energy: -680.033 where: short stacking energy: -303.123 Base-Backbone interact. energy: -1.312 local terms energy: -335.973315 where: bonds (distance) C4'-P energy: -67.874 bonds (distance) P-C4' energy: -70.959 flat angles C4'-P-C4' energy: -70.315 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -81.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1002.062938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.062938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.062938 (E_RNA) where: Base-Base interactions energy: -676.162 where: short stacking energy: -285.765 Base-Backbone interact. energy: 0.058 local terms energy: -325.958529 where: bonds (distance) C4'-P energy: -60.382 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -81.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -884.742356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.742356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.742356 (E_RNA) where: Base-Base interactions energy: -564.231 where: short stacking energy: -266.165 Base-Backbone interact. energy: 0.623 local terms energy: -321.133977 where: bonds (distance) C4'-P energy: -66.182 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -71.327 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -80.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -855.824114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.824114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.824114 (E_RNA) where: Base-Base interactions energy: -558.413 where: short stacking energy: -245.359 Base-Backbone interact. energy: -0.692 local terms energy: -296.718891 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -47.611 flat angles C4'-P-C4' energy: -69.285 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -67.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -744.488544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.488544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.488544 (E_RNA) where: Base-Base interactions energy: -475.652 where: short stacking energy: -231.223 Base-Backbone interact. energy: -1.040 local terms energy: -267.796696 where: bonds (distance) C4'-P energy: -58.649 bonds (distance) P-C4' energy: -48.597 flat angles C4'-P-C4' energy: -63.605 flat angles P-C4'-P energy: -46.661 tors. eta vs tors. theta energy: -50.285 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: 292 Temperature: 1.250000 Total energy: -557.750551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.750551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.750551 (E_RNA) where: Base-Base interactions energy: -312.810 where: short stacking energy: -158.221 Base-Backbone interact. energy: 1.614 local terms energy: -246.554930 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -56.966 flat angles C4'-P-C4' energy: -63.966 flat angles P-C4'-P energy: -30.041 tors. eta vs tors. theta energy: -31.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -377.325188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.325188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.325188 (E_RNA) where: Base-Base interactions energy: -172.644 where: short stacking energy: -84.923 Base-Backbone interact. energy: 0.506 local terms energy: -205.186708 where: bonds (distance) C4'-P energy: -53.408 bonds (distance) P-C4' energy: -69.468 flat angles C4'-P-C4' energy: -56.152 flat angles P-C4'-P energy: -29.637 tors. eta vs tors. theta energy: 3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -343.351801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.351801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.351801 (E_RNA) where: Base-Base interactions energy: -141.886 where: short stacking energy: -89.564 Base-Backbone interact. energy: -1.264 local terms energy: -200.201847 where: bonds (distance) C4'-P energy: -57.027 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -51.730 flat angles P-C4'-P energy: -37.676 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: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1103.647827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.647827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.647827 (E_RNA) where: Base-Base interactions energy: -741.837 where: short stacking energy: -328.395 Base-Backbone interact. energy: 0.260 local terms energy: -362.071295 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -79.818 flat angles C4'-P-C4' energy: -71.117 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -86.077 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: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1084.966486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.966486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.966486 (E_RNA) where: Base-Base interactions energy: -722.575 where: short stacking energy: -337.028 Base-Backbone interact. energy: -1.255 local terms energy: -361.136667 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -54.003 tors. eta vs tors. theta energy: -97.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -985.868041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.868041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.868041 (E_RNA) where: Base-Base interactions energy: -652.499 where: short stacking energy: -277.259 Base-Backbone interact. energy: -2.524 local terms energy: -330.845019 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -66.875 flat angles C4'-P-C4' energy: -74.646 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: -80.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -992.117385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.117385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.117385 (E_RNA) where: Base-Base interactions energy: -655.844 where: short stacking energy: -293.523 Base-Backbone interact. energy: -0.386 local terms energy: -335.887681 where: bonds (distance) C4'-P energy: -63.488 bonds (distance) P-C4' energy: -66.159 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -47.963 tors. eta vs tors. theta energy: -84.265 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: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -876.983852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.983852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.983852 (E_RNA) where: Base-Base interactions energy: -554.133 where: short stacking energy: -239.363 Base-Backbone interact. energy: -1.739 local terms energy: -321.112112 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -67.103 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -66.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -855.632082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.632082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.632082 (E_RNA) where: Base-Base interactions energy: -550.901 where: short stacking energy: -259.488 Base-Backbone interact. energy: -2.593 local terms energy: -302.138586 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -52.811 flat angles C4'-P-C4' energy: -66.288 flat angles P-C4'-P energy: -46.985 tors. eta vs tors. theta energy: -77.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -750.853002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.853002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.853002 (E_RNA) where: Base-Base interactions energy: -483.018 where: short stacking energy: -228.601 Base-Backbone interact. energy: 0.157 local terms energy: -267.992043 where: bonds (distance) C4'-P energy: -58.989 bonds (distance) P-C4' energy: -66.706 flat angles C4'-P-C4' energy: -62.468 flat angles P-C4'-P energy: -32.955 tors. eta vs tors. theta energy: -46.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -584.481853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.481853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.481853 (E_RNA) where: Base-Base interactions energy: -332.659 where: short stacking energy: -176.889 Base-Backbone interact. energy: -0.919 local terms energy: -250.903977 where: bonds (distance) C4'-P energy: -58.278 bonds (distance) P-C4' energy: -59.569 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -31.743 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: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -367.992430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.992430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.992430 (E_RNA) where: Base-Base interactions energy: -167.695 where: short stacking energy: -94.437 Base-Backbone interact. energy: -2.263 local terms energy: -198.035246 where: bonds (distance) C4'-P energy: -57.869 bonds (distance) P-C4' energy: -63.694 flat angles C4'-P-C4' energy: -50.153 flat angles P-C4'-P energy: -28.460 tors. eta vs tors. theta energy: 2.141 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: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -303.866895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.866895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.866895 (E_RNA) where: Base-Base interactions energy: -119.392 where: short stacking energy: -75.564 Base-Backbone interact. energy: -0.964 local terms energy: -183.511380 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -56.635 flat angles C4'-P-C4' energy: -52.336 flat angles P-C4'-P energy: -17.576 tors. eta vs tors. theta energy: 1.350 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: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1095.778047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.778047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.778047 (E_RNA) where: Base-Base interactions energy: -722.385 where: short stacking energy: -339.931 Base-Backbone interact. energy: -2.376 local terms energy: -371.017169 where: bonds (distance) C4'-P energy: -73.242 bonds (distance) P-C4' energy: -71.681 flat angles C4'-P-C4' energy: -75.680 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -97.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1077.679705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.679705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.679705 (E_RNA) where: Base-Base interactions energy: -713.405 where: short stacking energy: -313.294 Base-Backbone interact. energy: -2.130 local terms energy: -362.145420 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -71.317 flat angles C4'-P-C4' energy: -78.273 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -91.816 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: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1048.041091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.041091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.041091 (E_RNA) where: Base-Base interactions energy: -702.306 where: short stacking energy: -302.959 Base-Backbone interact. energy: 0.177 local terms energy: -345.911455 where: bonds (distance) C4'-P energy: -62.045 bonds (distance) P-C4' energy: -69.051 flat angles C4'-P-C4' energy: -72.908 flat angles P-C4'-P energy: -53.406 tors. eta vs tors. theta energy: -88.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -977.942631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.942631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.942631 (E_RNA) where: Base-Base interactions energy: -650.757 where: short stacking energy: -278.984 Base-Backbone interact. energy: -0.756 local terms energy: -326.429665 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -76.120 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -78.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -894.356192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.356192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.356192 (E_RNA) where: Base-Base interactions energy: -584.742 where: short stacking energy: -290.070 Base-Backbone interact. energy: -0.029 local terms energy: -309.585183 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -60.294 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -36.691 tors. eta vs tors. theta energy: -81.278 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: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -806.816516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.816516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.816516 (E_RNA) where: Base-Base interactions energy: -538.031 where: short stacking energy: -242.239 Base-Backbone interact. energy: 2.919 local terms energy: -271.705134 where: bonds (distance) C4'-P energy: -50.329 bonds (distance) P-C4' energy: -58.419 flat angles C4'-P-C4' energy: -63.126 flat angles P-C4'-P energy: -39.654 tors. eta vs tors. theta energy: -60.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -747.894484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.894484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.894484 (E_RNA) where: Base-Base interactions energy: -468.464 where: short stacking energy: -206.548 Base-Backbone interact. energy: -0.153 local terms energy: -279.278369 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -65.332 flat angles C4'-P-C4' energy: -63.565 flat angles P-C4'-P energy: -35.760 tors. eta vs tors. theta energy: -58.793 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: 294 Temperature: 1.250000 Total energy: -575.137727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.137727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.137727 (E_RNA) where: Base-Base interactions energy: -330.230 where: short stacking energy: -162.209 Base-Backbone interact. energy: -1.624 local terms energy: -243.283407 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -55.431 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -31.841 tors. eta vs tors. theta energy: -38.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -386.784603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.784603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.784603 (E_RNA) where: Base-Base interactions energy: -181.675 where: short stacking energy: -105.116 Base-Backbone interact. energy: 1.125 local terms energy: -206.234349 where: bonds (distance) C4'-P energy: -47.818 bonds (distance) P-C4' energy: -56.153 flat angles C4'-P-C4' energy: -45.529 flat angles P-C4'-P energy: -43.794 tors. eta vs tors. theta energy: -12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -279.793702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.793702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.793702 (E_RNA) where: Base-Base interactions energy: -95.653 where: short stacking energy: -65.324 Base-Backbone interact. energy: -0.342 local terms energy: -183.798623 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -48.858 flat angles P-C4'-P energy: -29.017 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: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1119.356641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.356641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.356641 (E_RNA) where: Base-Base interactions energy: -746.698 where: short stacking energy: -339.791 Base-Backbone interact. energy: -1.058 local terms energy: -371.599931 where: bonds (distance) C4'-P energy: -68.344 bonds (distance) P-C4' energy: -69.351 flat angles C4'-P-C4' energy: -79.507 flat angles P-C4'-P energy: -57.727 tors. eta vs tors. theta energy: -96.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1055.510355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.510355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.510355 (E_RNA) where: Base-Base interactions energy: -713.380 where: short stacking energy: -307.057 Base-Backbone interact. energy: -2.091 local terms energy: -340.039805 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -71.325 flat angles C4'-P-C4' energy: -77.162 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: -88.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1034.845209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.845209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.845209 (E_RNA) where: Base-Base interactions energy: -692.801 where: short stacking energy: -298.266 Base-Backbone interact. energy: -2.092 local terms energy: -339.952564 where: bonds (distance) C4'-P energy: -55.513 bonds (distance) P-C4' energy: -66.344 flat angles C4'-P-C4' energy: -77.570 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -85.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -941.998650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.998650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.998650 (E_RNA) where: Base-Base interactions energy: -641.205 where: short stacking energy: -251.914 Base-Backbone interact. energy: -0.776 local terms energy: -300.017527 where: bonds (distance) C4'-P energy: -65.530 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -34.973 tors. eta vs tors. theta energy: -59.838 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: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -885.439438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.439438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.439438 (E_RNA) where: Base-Base interactions energy: -585.020 where: short stacking energy: -275.114 Base-Backbone interact. energy: -1.568 local terms energy: -298.851401 where: bonds (distance) C4'-P energy: -56.238 bonds (distance) P-C4' energy: -71.497 flat angles C4'-P-C4' energy: -54.908 flat angles P-C4'-P energy: -43.643 tors. eta vs tors. theta energy: -72.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -776.791613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.791613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.791613 (E_RNA) where: Base-Base interactions energy: -490.868 where: short stacking energy: -228.124 Base-Backbone interact. energy: 2.550 local terms energy: -288.473478 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -61.802 flat angles C4'-P-C4' energy: -61.558 flat angles P-C4'-P energy: -38.834 tors. eta vs tors. theta energy: -58.857 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: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -785.285019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.285019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.285019 (E_RNA) where: Base-Base interactions energy: -481.547 where: short stacking energy: -215.678 Base-Backbone interact. energy: -1.102 local terms energy: -302.635199 where: bonds (distance) C4'-P energy: -69.057 bonds (distance) P-C4' energy: -56.945 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -53.860 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: 295 Temperature: 1.250000 Total energy: -570.571468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.571468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.571468 (E_RNA) where: Base-Base interactions energy: -337.795 where: short stacking energy: -159.680 Base-Backbone interact. energy: -1.684 local terms energy: -231.092098 where: bonds (distance) C4'-P energy: -50.874 bonds (distance) P-C4' energy: -52.065 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -24.596 tors. eta vs tors. theta energy: -39.687 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: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -377.797237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.797237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.797237 (E_RNA) where: Base-Base interactions energy: -173.401 where: short stacking energy: -110.681 Base-Backbone interact. energy: -0.234 local terms energy: -204.161755 where: bonds (distance) C4'-P energy: -52.206 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -55.296 flat angles P-C4'-P energy: -27.029 tors. eta vs tors. theta energy: -13.619 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: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -304.913868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.913868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.913868 (E_RNA) where: Base-Base interactions energy: -129.247 where: short stacking energy: -85.035 Base-Backbone interact. energy: 0.591 local terms energy: -176.257586 where: bonds (distance) C4'-P energy: -38.827 bonds (distance) P-C4' energy: -57.986 flat angles C4'-P-C4' energy: -45.416 flat angles P-C4'-P energy: -37.234 tors. eta vs tors. theta energy: 3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1123.296693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.296693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.296693 (E_RNA) where: Base-Base interactions energy: -743.632 where: short stacking energy: -344.282 Base-Backbone interact. energy: 0.295 local terms energy: -379.959703 where: bonds (distance) C4'-P energy: -76.271 bonds (distance) P-C4' energy: -76.825 flat angles C4'-P-C4' energy: -75.877 flat angles P-C4'-P energy: -53.268 tors. eta vs tors. theta energy: -97.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1071.913956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.913956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.913956 (E_RNA) where: Base-Base interactions energy: -715.005 where: short stacking energy: -299.095 Base-Backbone interact. energy: -2.112 local terms energy: -354.796990 where: bonds (distance) C4'-P energy: -69.939 bonds (distance) P-C4' energy: -73.374 flat angles C4'-P-C4' energy: -79.062 flat angles P-C4'-P energy: -48.809 tors. eta vs tors. theta energy: -83.613 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: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -988.630663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.630663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.630663 (E_RNA) where: Base-Base interactions energy: -669.656 where: short stacking energy: -299.817 Base-Backbone interact. energy: -0.010 local terms energy: -318.964310 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -70.956 flat angles C4'-P-C4' energy: -67.838 flat angles P-C4'-P energy: -43.205 tors. eta vs tors. theta energy: -72.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -951.378869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.378869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.378869 (E_RNA) where: Base-Base interactions energy: -639.076 where: short stacking energy: -278.615 Base-Backbone interact. energy: -0.387 local terms energy: -311.915529 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -58.461 flat angles C4'-P-C4' energy: -68.156 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -71.785 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: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -833.440346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.440346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.440346 (E_RNA) where: Base-Base interactions energy: -522.624 where: short stacking energy: -248.933 Base-Backbone interact. energy: -2.088 local terms energy: -308.727840 where: bonds (distance) C4'-P energy: -61.856 bonds (distance) P-C4' energy: -73.579 flat angles C4'-P-C4' energy: -73.584 flat angles P-C4'-P energy: -40.206 tors. eta vs tors. theta energy: -59.503 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: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -832.376311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.376311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.376311 (E_RNA) where: Base-Base interactions energy: -533.746 where: short stacking energy: -235.483 Base-Backbone interact. energy: -0.803 local terms energy: -297.827018 where: bonds (distance) C4'-P energy: -69.871 bonds (distance) P-C4' energy: -55.957 flat angles C4'-P-C4' energy: -72.950 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -56.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -794.371492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.371492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.371492 (E_RNA) where: Base-Base interactions energy: -508.662 where: short stacking energy: -228.617 Base-Backbone interact. energy: -0.986 local terms energy: -284.723985 where: bonds (distance) C4'-P energy: -65.054 bonds (distance) P-C4' energy: -59.453 flat angles C4'-P-C4' energy: -63.265 flat angles P-C4'-P energy: -39.027 tors. eta vs tors. theta energy: -57.925 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: 296 Temperature: 1.250000 Total energy: -574.326429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.326429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.326429 (E_RNA) where: Base-Base interactions energy: -327.625 where: short stacking energy: -166.553 Base-Backbone interact. energy: -0.250 local terms energy: -246.451129 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -64.847 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -35.614 tors. eta vs tors. theta energy: -40.059 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: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -348.703820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.703820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.703820 (E_RNA) where: Base-Base interactions energy: -151.875 where: short stacking energy: -114.818 Base-Backbone interact. energy: -0.076 local terms energy: -196.752268 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -49.930 flat angles C4'-P-C4' energy: -40.463 flat angles P-C4'-P energy: -30.407 tors. eta vs tors. theta energy: -4.259 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: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -278.139372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.139372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.139372 (E_RNA) where: Base-Base interactions energy: -90.348 where: short stacking energy: -74.481 Base-Backbone interact. energy: 0.054 local terms energy: -187.845605 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -54.369 flat angles C4'-P-C4' energy: -46.370 flat angles P-C4'-P energy: -25.457 tors. eta vs tors. theta energy: 9.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1112.039911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.039911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.039911 (E_RNA) where: Base-Base interactions energy: -755.744 where: short stacking energy: -340.009 Base-Backbone interact. energy: -0.291 local terms energy: -356.005498 where: bonds (distance) C4'-P energy: -64.572 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -76.140 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -96.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1069.087196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.087196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.087196 (E_RNA) where: Base-Base interactions energy: -724.794 where: short stacking energy: -316.380 Base-Backbone interact. energy: -5.175 local terms energy: -339.118063 where: bonds (distance) C4'-P energy: -68.541 bonds (distance) P-C4' energy: -67.281 flat angles C4'-P-C4' energy: -73.785 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -83.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1013.933665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.933665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.933665 (E_RNA) where: Base-Base interactions energy: -687.051 where: short stacking energy: -289.862 Base-Backbone interact. energy: -1.201 local terms energy: -325.681786 where: bonds (distance) C4'-P energy: -59.737 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -76.689 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: -74.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -963.290671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.290671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.290671 (E_RNA) where: Base-Base interactions energy: -647.214 where: short stacking energy: -267.240 Base-Backbone interact. energy: -0.997 local terms energy: -315.079277 where: bonds (distance) C4'-P energy: -62.028 bonds (distance) P-C4' energy: -63.695 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -73.532 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: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -805.009545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.009545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.009545 (E_RNA) where: Base-Base interactions energy: -515.146 where: short stacking energy: -236.936 Base-Backbone interact. energy: -1.956 local terms energy: -287.907541 where: bonds (distance) C4'-P energy: -54.166 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -70.340 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -54.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -809.945128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.945128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.945128 (E_RNA) where: Base-Base interactions energy: -512.360 where: short stacking energy: -232.634 Base-Backbone interact. energy: 0.129 local terms energy: -297.714026 where: bonds (distance) C4'-P energy: -61.378 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -62.560 flat angles P-C4'-P energy: -42.103 tors. eta vs tors. theta energy: -68.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -747.029346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.029346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.029346 (E_RNA) where: Base-Base interactions energy: -486.204 where: short stacking energy: -194.300 Base-Backbone interact. energy: -2.614 local terms energy: -258.211491 where: bonds (distance) C4'-P energy: -53.232 bonds (distance) P-C4' energy: -65.994 flat angles C4'-P-C4' energy: -54.548 flat angles P-C4'-P energy: -38.443 tors. eta vs tors. theta energy: -45.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -600.063716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.063716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.063716 (E_RNA) where: Base-Base interactions energy: -350.348 where: short stacking energy: -172.177 Base-Backbone interact. energy: 0.748 local terms energy: -250.464240 where: bonds (distance) C4'-P energy: -50.560 bonds (distance) P-C4' energy: -67.075 flat angles C4'-P-C4' energy: -53.693 flat angles P-C4'-P energy: -38.595 tors. eta vs tors. theta energy: -40.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -353.204570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.204570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.204570 (E_RNA) where: Base-Base interactions energy: -158.720 where: short stacking energy: -102.820 Base-Backbone interact. energy: -0.645 local terms energy: -193.839516 where: bonds (distance) C4'-P energy: -61.501 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -39.782 flat angles P-C4'-P energy: -43.591 tors. eta vs tors. theta energy: 15.072 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: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -328.560740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.560740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.560740 (E_RNA) where: Base-Base interactions energy: -128.318 where: short stacking energy: -101.888 Base-Backbone interact. energy: -2.879 local terms energy: -197.363226 where: bonds (distance) C4'-P energy: -49.931 bonds (distance) P-C4' energy: -57.557 flat angles C4'-P-C4' energy: -56.784 flat angles P-C4'-P energy: -34.247 tors. eta vs tors. theta energy: 1.156 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: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1124.727134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.727134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.727134 (E_RNA) where: Base-Base interactions energy: -773.220 where: short stacking energy: -343.735 Base-Backbone interact. energy: 1.497 local terms energy: -353.004702 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -73.125 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -53.574 tors. eta vs tors. theta energy: -97.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1083.250163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.250163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.250163 (E_RNA) where: Base-Base interactions energy: -738.580 where: short stacking energy: -331.860 Base-Backbone interact. energy: -1.976 local terms energy: -342.694141 where: bonds (distance) C4'-P energy: -69.486 bonds (distance) P-C4' energy: -75.166 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -39.818 tors. eta vs tors. theta energy: -91.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1022.555970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.555970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.555970 (E_RNA) where: Base-Base interactions energy: -689.169 where: short stacking energy: -319.440 Base-Backbone interact. energy: -1.877 local terms energy: -331.510056 where: bonds (distance) C4'-P energy: -61.426 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -77.106 flat angles P-C4'-P energy: -51.370 tors. eta vs tors. theta energy: -82.393 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: 4, replica: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -958.360969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.360969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.360969 (E_RNA) where: Base-Base interactions energy: -629.094 where: short stacking energy: -291.619 Base-Backbone interact. energy: 0.307 local terms energy: -329.573507 where: bonds (distance) C4'-P energy: -60.802 bonds (distance) P-C4' energy: -68.602 flat angles C4'-P-C4' energy: -73.219 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -81.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -863.288170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.288170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.288170 (E_RNA) where: Base-Base interactions energy: -555.335 where: short stacking energy: -266.918 Base-Backbone interact. energy: 0.082 local terms energy: -308.035939 where: bonds (distance) C4'-P energy: -59.234 bonds (distance) P-C4' energy: -71.870 flat angles C4'-P-C4' energy: -65.158 flat angles P-C4'-P energy: -36.814 tors. eta vs tors. theta energy: -74.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -777.687203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.687203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.687203 (E_RNA) where: Base-Base interactions energy: -501.648 where: short stacking energy: -245.824 Base-Backbone interact. energy: -1.166 local terms energy: -274.873474 where: bonds (distance) C4'-P energy: -59.422 bonds (distance) P-C4' energy: -64.289 flat angles C4'-P-C4' energy: -54.372 flat angles P-C4'-P energy: -41.517 tors. eta vs tors. theta energy: -55.274 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: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -770.382264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.382264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.382264 (E_RNA) where: Base-Base interactions energy: -500.838 where: short stacking energy: -216.811 Base-Backbone interact. energy: -0.720 local terms energy: -268.823972 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -62.192 flat angles C4'-P-C4' energy: -62.414 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: -47.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -606.729230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.729230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.729230 (E_RNA) where: Base-Base interactions energy: -339.715 where: short stacking energy: -160.239 Base-Backbone interact. energy: -1.883 local terms energy: -265.130656 where: bonds (distance) C4'-P energy: -58.852 bonds (distance) P-C4' energy: -67.917 flat angles C4'-P-C4' energy: -58.907 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: -34.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -366.366739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.366739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.366739 (E_RNA) where: Base-Base interactions energy: -163.964 where: short stacking energy: -108.156 Base-Backbone interact. energy: -0.057 local terms energy: -202.346182 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -62.598 flat angles C4'-P-C4' energy: -49.787 flat angles P-C4'-P energy: -34.316 tors. eta vs tors. theta energy: 4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -322.153748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.153748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.153748 (E_RNA) where: Base-Base interactions energy: -131.525 where: short stacking energy: -97.410 Base-Backbone interact. energy: -2.373 local terms energy: -188.255471 where: bonds (distance) C4'-P energy: -45.958 bonds (distance) P-C4' energy: -53.146 flat angles C4'-P-C4' energy: -65.524 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: 11.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1114.788974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.788974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.788974 (E_RNA) where: Base-Base interactions energy: -768.629 where: short stacking energy: -335.654 Base-Backbone interact. energy: -2.411 local terms energy: -343.748631 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -71.425 flat angles C4'-P-C4' energy: -74.513 flat angles P-C4'-P energy: -42.046 tors. eta vs tors. theta energy: -93.677 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1058.074803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.074803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.074803 (E_RNA) where: Base-Base interactions energy: -702.525 where: short stacking energy: -324.145 Base-Backbone interact. energy: -0.971 local terms energy: -354.578089 where: bonds (distance) C4'-P energy: -64.957 bonds (distance) P-C4' energy: -68.322 flat angles C4'-P-C4' energy: -76.375 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -93.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1008.038181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.038181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.038181 (E_RNA) where: Base-Base interactions energy: -684.619 where: short stacking energy: -297.729 Base-Backbone interact. energy: -1.860 local terms energy: -321.559664 where: bonds (distance) C4'-P energy: -59.532 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -74.740 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -76.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -911.005279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.005279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.005279 (E_RNA) where: Base-Base interactions energy: -583.314 where: short stacking energy: -279.432 Base-Backbone interact. energy: -0.369 local terms energy: -327.321995 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -70.401 flat angles C4'-P-C4' energy: -71.942 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -85.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -952.760008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.760008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.760008 (E_RNA) where: Base-Base interactions energy: -623.106 where: short stacking energy: -278.690 Base-Backbone interact. energy: -0.913 local terms energy: -328.741123 where: bonds (distance) C4'-P energy: -68.667 bonds (distance) P-C4' energy: -59.576 flat angles C4'-P-C4' energy: -70.452 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -72.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -760.021712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.021712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.021712 (E_RNA) where: Base-Base interactions energy: -469.632 where: short stacking energy: -236.548 Base-Backbone interact. energy: -0.197 local terms energy: -290.192871 where: bonds (distance) C4'-P energy: -56.505 bonds (distance) P-C4' energy: -62.141 flat angles C4'-P-C4' energy: -70.916 flat angles P-C4'-P energy: -47.475 tors. eta vs tors. theta energy: -53.156 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: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -787.482928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.482928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.482928 (E_RNA) where: Base-Base interactions energy: -511.347 where: short stacking energy: -238.498 Base-Backbone interact. energy: -1.264 local terms energy: -274.872036 where: bonds (distance) C4'-P energy: -50.320 bonds (distance) P-C4' energy: -54.742 flat angles C4'-P-C4' energy: -59.793 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -67.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -593.213909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.213909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.213909 (E_RNA) where: Base-Base interactions energy: -349.426 where: short stacking energy: -146.899 Base-Backbone interact. energy: -1.033 local terms energy: -242.755791 where: bonds (distance) C4'-P energy: -57.835 bonds (distance) P-C4' energy: -74.147 flat angles C4'-P-C4' energy: -45.316 flat angles P-C4'-P energy: -34.037 tors. eta vs tors. theta energy: -31.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -381.112326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.112326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.112326 (E_RNA) where: Base-Base interactions energy: -171.772 where: short stacking energy: -127.089 Base-Backbone interact. energy: -0.758 local terms energy: -208.581579 where: bonds (distance) C4'-P energy: -47.640 bonds (distance) P-C4' energy: -50.247 flat angles C4'-P-C4' energy: -64.516 flat angles P-C4'-P energy: -30.995 tors. eta vs tors. theta energy: -15.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -279.393396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.393396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.393396 (E_RNA) where: Base-Base interactions energy: -83.877 where: short stacking energy: -65.686 Base-Backbone interact. energy: -1.498 local terms energy: -194.018277 where: bonds (distance) C4'-P energy: -57.412 bonds (distance) P-C4' energy: -51.092 flat angles C4'-P-C4' energy: -58.019 flat angles P-C4'-P energy: -30.646 tors. eta vs tors. theta energy: 3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1136.181733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.181733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.181733 (E_RNA) where: Base-Base interactions energy: -763.447 where: short stacking energy: -327.817 Base-Backbone interact. energy: -2.294 local terms energy: -370.440580 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -77.759 flat angles C4'-P-C4' energy: -81.172 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -95.379 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: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1065.804434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.804434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.804434 (E_RNA) where: Base-Base interactions energy: -702.840 where: short stacking energy: -335.288 Base-Backbone interact. energy: -1.287 local terms energy: -361.677867 where: bonds (distance) C4'-P energy: -67.328 bonds (distance) P-C4' energy: -71.990 flat angles C4'-P-C4' energy: -71.446 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -95.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -994.011423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.011423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.011423 (E_RNA) where: Base-Base interactions energy: -669.366 where: short stacking energy: -274.519 Base-Backbone interact. energy: 0.828 local terms energy: -325.473912 where: bonds (distance) C4'-P energy: -59.990 bonds (distance) P-C4' energy: -71.078 flat angles C4'-P-C4' energy: -69.379 flat angles P-C4'-P energy: -53.252 tors. eta vs tors. theta energy: -71.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -914.470356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.470356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.470356 (E_RNA) where: Base-Base interactions energy: -588.225 where: short stacking energy: -269.581 Base-Backbone interact. energy: -1.429 local terms energy: -324.816440 where: bonds (distance) C4'-P energy: -59.234 bonds (distance) P-C4' energy: -67.168 flat angles C4'-P-C4' energy: -69.375 flat angles P-C4'-P energy: -53.037 tors. eta vs tors. theta energy: -76.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -951.291226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.291226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.291226 (E_RNA) where: Base-Base interactions energy: -619.656 where: short stacking energy: -250.054 Base-Backbone interact. energy: -2.380 local terms energy: -329.255087 where: bonds (distance) C4'-P energy: -68.833 bonds (distance) P-C4' energy: -69.229 flat angles C4'-P-C4' energy: -63.108 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -71.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -757.987593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.987593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.987593 (E_RNA) where: Base-Base interactions energy: -475.605 where: short stacking energy: -210.908 Base-Backbone interact. energy: 1.234 local terms energy: -283.615615 where: bonds (distance) C4'-P energy: -60.292 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -73.179 flat angles P-C4'-P energy: -36.626 tors. eta vs tors. theta energy: -42.827 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: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -832.481803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.481803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.481803 (E_RNA) where: Base-Base interactions energy: -529.113 where: short stacking energy: -249.348 Base-Backbone interact. energy: -1.144 local terms energy: -302.225298 where: bonds (distance) C4'-P energy: -60.930 bonds (distance) P-C4' energy: -64.789 flat angles C4'-P-C4' energy: -63.998 flat angles P-C4'-P energy: -41.737 tors. eta vs tors. theta energy: -70.771 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -567.583772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.583772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.583772 (E_RNA) where: Base-Base interactions energy: -354.346 where: short stacking energy: -159.788 Base-Backbone interact. energy: -0.546 local terms energy: -212.691497 where: bonds (distance) C4'-P energy: -52.068 bonds (distance) P-C4' energy: -55.612 flat angles C4'-P-C4' energy: -43.069 flat angles P-C4'-P energy: -27.659 tors. eta vs tors. theta energy: -34.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -300.085160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.085160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.085160 (E_RNA) where: Base-Base interactions energy: -109.520 where: short stacking energy: -87.008 Base-Backbone interact. energy: 5.454 local terms energy: -196.018651 where: bonds (distance) C4'-P energy: -60.891 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -49.606 flat angles P-C4'-P energy: -25.334 tors. eta vs tors. theta energy: 1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -330.594312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.594312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.594312 (E_RNA) where: Base-Base interactions energy: -146.596 where: short stacking energy: -82.856 Base-Backbone interact. energy: -0.330 local terms energy: -183.668611 where: bonds (distance) C4'-P energy: -53.475 bonds (distance) P-C4' energy: -65.696 flat angles C4'-P-C4' energy: -43.381 flat angles P-C4'-P energy: -32.036 tors. eta vs tors. theta energy: 10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1136.131739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.131739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.131739 (E_RNA) where: Base-Base interactions energy: -780.715 where: short stacking energy: -339.274 Base-Backbone interact. energy: -1.372 local terms energy: -354.045074 where: bonds (distance) C4'-P energy: -62.295 bonds (distance) P-C4' energy: -63.510 flat angles C4'-P-C4' energy: -81.673 flat angles P-C4'-P energy: -54.227 tors. eta vs tors. theta energy: -92.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1046.562905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.562905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.562905 (E_RNA) where: Base-Base interactions energy: -694.837 where: short stacking energy: -300.765 Base-Backbone interact. energy: -3.893 local terms energy: -347.833410 where: bonds (distance) C4'-P energy: -70.289 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -47.142 tors. eta vs tors. theta energy: -83.910 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: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1039.428704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.428704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.428704 (E_RNA) where: Base-Base interactions energy: -699.992 where: short stacking energy: -325.318 Base-Backbone interact. energy: -0.379 local terms energy: -339.057953 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -60.581 flat angles C4'-P-C4' energy: -77.084 flat angles P-C4'-P energy: -45.165 tors. eta vs tors. theta energy: -100.919 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: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -991.099387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.099387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.099387 (E_RNA) where: Base-Base interactions energy: -656.794 where: short stacking energy: -258.886 Base-Backbone interact. energy: -3.910 local terms energy: -330.395203 where: bonds (distance) C4'-P energy: -63.402 bonds (distance) P-C4' energy: -78.794 flat angles C4'-P-C4' energy: -72.378 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -77.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -900.075833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.075833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.075833 (E_RNA) where: Base-Base interactions energy: -587.185 where: short stacking energy: -276.958 Base-Backbone interact. energy: 0.369 local terms energy: -313.259996 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -67.226 flat angles C4'-P-C4' energy: -61.970 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -76.906 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: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -892.133550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.133550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.133550 (E_RNA) where: Base-Base interactions energy: -588.165 where: short stacking energy: -282.236 Base-Backbone interact. energy: -0.907 local terms energy: -303.061840 where: bonds (distance) C4'-P energy: -55.790 bonds (distance) P-C4' energy: -56.547 flat angles C4'-P-C4' energy: -66.035 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: -79.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -767.290989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.290989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.290989 (E_RNA) where: Base-Base interactions energy: -489.055 where: short stacking energy: -233.952 Base-Backbone interact. energy: 3.379 local terms energy: -281.615292 where: bonds (distance) C4'-P energy: -63.404 bonds (distance) P-C4' energy: -58.579 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -38.893 tors. eta vs tors. theta energy: -57.860 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: 301 Temperature: 1.250000 Total energy: -547.100013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.100013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.100013 (E_RNA) where: Base-Base interactions energy: -323.578 where: short stacking energy: -165.523 Base-Backbone interact. energy: -0.677 local terms energy: -222.844776 where: bonds (distance) C4'-P energy: -54.744 bonds (distance) P-C4' energy: -57.551 flat angles C4'-P-C4' energy: -51.725 flat angles P-C4'-P energy: -26.684 tors. eta vs tors. theta energy: -32.141 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: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -310.245845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.245845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.245845 (E_RNA) where: Base-Base interactions energy: -122.597 where: short stacking energy: -93.754 Base-Backbone interact. energy: 4.886 local terms energy: -192.534717 where: bonds (distance) C4'-P energy: -63.163 bonds (distance) P-C4' energy: -51.394 flat angles C4'-P-C4' energy: -45.542 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: 2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -363.967124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.967124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.967124 (E_RNA) where: Base-Base interactions energy: -153.638 where: short stacking energy: -111.638 Base-Backbone interact. energy: -3.520 local terms energy: -206.808872 where: bonds (distance) C4'-P energy: -39.190 bonds (distance) P-C4' energy: -63.545 flat angles C4'-P-C4' energy: -61.551 flat angles P-C4'-P energy: -32.472 tors. eta vs tors. theta energy: -10.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1144.548107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.548107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.548107 (E_RNA) where: Base-Base interactions energy: -774.872 where: short stacking energy: -341.751 Base-Backbone interact. energy: -1.493 local terms energy: -368.183827 where: bonds (distance) C4'-P energy: -73.759 bonds (distance) P-C4' energy: -62.815 flat angles C4'-P-C4' energy: -76.225 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -101.703 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: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1060.107422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.107422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.107422 (E_RNA) where: Base-Base interactions energy: -717.497 where: short stacking energy: -315.118 Base-Backbone interact. energy: -1.628 local terms energy: -340.982355 where: bonds (distance) C4'-P energy: -70.451 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -67.699 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -87.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1012.835728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.835728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.835728 (E_RNA) where: Base-Base interactions energy: -662.796 where: short stacking energy: -267.508 Base-Backbone interact. energy: -2.336 local terms energy: -347.702842 where: bonds (distance) C4'-P energy: -66.801 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -78.195 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -82.619 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: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1004.324257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.324257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.324257 (E_RNA) where: Base-Base interactions energy: -665.722 where: short stacking energy: -289.091 Base-Backbone interact. energy: -0.148 local terms energy: -338.455001 where: bonds (distance) C4'-P energy: -67.836 bonds (distance) P-C4' energy: -67.404 flat angles C4'-P-C4' energy: -67.319 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: -83.911 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: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -932.596889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.596889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.596889 (E_RNA) where: Base-Base interactions energy: -603.176 where: short stacking energy: -295.679 Base-Backbone interact. energy: -0.279 local terms energy: -329.141552 where: bonds (distance) C4'-P energy: -58.288 bonds (distance) P-C4' energy: -63.778 flat angles C4'-P-C4' energy: -74.275 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -84.203 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: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -877.008648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.008648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.008648 (E_RNA) where: Base-Base interactions energy: -577.538 where: short stacking energy: -261.050 Base-Backbone interact. energy: -1.276 local terms energy: -298.194308 where: bonds (distance) C4'-P energy: -54.247 bonds (distance) P-C4' energy: -66.348 flat angles C4'-P-C4' energy: -62.738 flat angles P-C4'-P energy: -44.499 tors. eta vs tors. theta energy: -70.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -769.631199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.631199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.631199 (E_RNA) where: Base-Base interactions energy: -464.212 where: short stacking energy: -219.705 Base-Backbone interact. energy: -1.425 local terms energy: -303.993973 where: bonds (distance) C4'-P energy: -63.165 bonds (distance) P-C4' energy: -65.466 flat angles C4'-P-C4' energy: -68.919 flat angles P-C4'-P energy: -43.577 tors. eta vs tors. theta energy: -62.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -575.926846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.926846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.926846 (E_RNA) where: Base-Base interactions energy: -343.944 where: short stacking energy: -159.819 Base-Backbone interact. energy: -2.239 local terms energy: -229.743204 where: bonds (distance) C4'-P energy: -42.646 bonds (distance) P-C4' energy: -54.559 flat angles C4'-P-C4' energy: -57.409 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -29.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -387.722617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.722617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.722617 (E_RNA) where: Base-Base interactions energy: -163.065 where: short stacking energy: -98.005 Base-Backbone interact. energy: -1.003 local terms energy: -223.654895 where: bonds (distance) C4'-P energy: -57.166 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -64.687 flat angles P-C4'-P energy: -30.746 tors. eta vs tors. theta energy: -6.253 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: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -289.739719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.739719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.739719 (E_RNA) where: Base-Base interactions energy: -109.497 where: short stacking energy: -95.360 Base-Backbone interact. energy: -1.643 local terms energy: -178.599744 where: bonds (distance) C4'-P energy: -45.531 bonds (distance) P-C4' energy: -55.725 flat angles C4'-P-C4' energy: -49.626 flat angles P-C4'-P energy: -30.472 tors. eta vs tors. theta energy: 2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1120.233146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.233146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.233146 (E_RNA) where: Base-Base interactions energy: -761.203 where: short stacking energy: -332.716 Base-Backbone interact. energy: 1.018 local terms energy: -360.048254 where: bonds (distance) C4'-P energy: -63.099 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -84.137 flat angles P-C4'-P energy: -50.584 tors. eta vs tors. theta energy: -98.883 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: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1031.859609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.859609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.859609 (E_RNA) where: Base-Base interactions energy: -690.562 where: short stacking energy: -306.822 Base-Backbone interact. energy: -1.585 local terms energy: -339.712638 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -69.854 flat angles C4'-P-C4' energy: -68.312 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: -79.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1013.677835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.677835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.677835 (E_RNA) where: Base-Base interactions energy: -665.405 where: short stacking energy: -290.012 Base-Backbone interact. energy: -2.563 local terms energy: -345.710462 where: bonds (distance) C4'-P energy: -64.665 bonds (distance) P-C4' energy: -71.653 flat angles C4'-P-C4' energy: -77.031 flat angles P-C4'-P energy: -49.386 tors. eta vs tors. theta energy: -82.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -984.028762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.028762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.028762 (E_RNA) where: Base-Base interactions energy: -640.120 where: short stacking energy: -293.935 Base-Backbone interact. energy: -0.555 local terms energy: -343.353875 where: bonds (distance) C4'-P energy: -76.251 bonds (distance) P-C4' energy: -62.674 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -41.322 tors. eta vs tors. theta energy: -90.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -926.455303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.455303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.455303 (E_RNA) where: Base-Base interactions energy: -620.764 where: short stacking energy: -273.456 Base-Backbone interact. energy: -1.670 local terms energy: -304.020590 where: bonds (distance) C4'-P energy: -59.813 bonds (distance) P-C4' energy: -64.565 flat angles C4'-P-C4' energy: -69.255 flat angles P-C4'-P energy: -33.643 tors. eta vs tors. theta energy: -76.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -884.520033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.520033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.520033 (E_RNA) where: Base-Base interactions energy: -580.948 where: short stacking energy: -274.407 Base-Backbone interact. energy: -0.123 local terms energy: -303.449842 where: bonds (distance) C4'-P energy: -49.683 bonds (distance) P-C4' energy: -66.976 flat angles C4'-P-C4' energy: -58.926 flat angles P-C4'-P energy: -54.076 tors. eta vs tors. theta energy: -73.788 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: 303 Temperature: 1.200000 Total energy: -739.600010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.600010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.600010 (E_RNA) where: Base-Base interactions energy: -472.767 where: short stacking energy: -240.271 Base-Backbone interact. energy: 0.223 local terms energy: -267.055877 where: bonds (distance) C4'-P energy: -51.747 bonds (distance) P-C4' energy: -64.642 flat angles C4'-P-C4' energy: -59.279 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: -55.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -582.639482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.639482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.639482 (E_RNA) where: Base-Base interactions energy: -350.228 where: short stacking energy: -181.406 Base-Backbone interact. energy: -1.187 local terms energy: -231.224706 where: bonds (distance) C4'-P energy: -47.563 bonds (distance) P-C4' energy: -54.455 flat angles C4'-P-C4' energy: -57.727 flat angles P-C4'-P energy: -36.806 tors. eta vs tors. theta energy: -34.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -389.896090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.896090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.896090 (E_RNA) where: Base-Base interactions energy: -188.192 where: short stacking energy: -103.244 Base-Backbone interact. energy: 0.059 local terms energy: -201.762978 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -48.219 flat angles P-C4'-P energy: -31.263 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -307.084521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.084521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.084521 (E_RNA) where: Base-Base interactions energy: -88.767 where: short stacking energy: -84.518 Base-Backbone interact. energy: 0.507 local terms energy: -218.825156 where: bonds (distance) C4'-P energy: -59.080 bonds (distance) P-C4' energy: -56.271 flat angles C4'-P-C4' energy: -55.921 flat angles P-C4'-P energy: -38.156 tors. eta vs tors. theta energy: -9.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1123.953241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.953241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.953241 (E_RNA) where: Base-Base interactions energy: -745.460 where: short stacking energy: -321.891 Base-Backbone interact. energy: -1.707 local terms energy: -376.786829 where: bonds (distance) C4'-P energy: -68.718 bonds (distance) P-C4' energy: -80.293 flat angles C4'-P-C4' energy: -77.728 flat angles P-C4'-P energy: -54.454 tors. eta vs tors. theta energy: -95.594 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: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1050.208172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.208172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.208172 (E_RNA) where: Base-Base interactions energy: -697.641 where: short stacking energy: -298.764 Base-Backbone interact. energy: -1.860 local terms energy: -350.707068 where: bonds (distance) C4'-P energy: -67.708 bonds (distance) P-C4' energy: -71.468 flat angles C4'-P-C4' energy: -77.581 flat angles P-C4'-P energy: -49.034 tors. eta vs tors. theta energy: -84.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1041.321064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.321064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.321064 (E_RNA) where: Base-Base interactions energy: -678.772 where: short stacking energy: -321.013 Base-Backbone interact. energy: -3.709 local terms energy: -358.839995 where: bonds (distance) C4'-P energy: -70.544 bonds (distance) P-C4' energy: -72.787 flat angles C4'-P-C4' energy: -74.275 flat angles P-C4'-P energy: -45.445 tors. eta vs tors. theta energy: -95.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -945.976329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.976329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.976329 (E_RNA) where: Base-Base interactions energy: -639.074 where: short stacking energy: -275.717 Base-Backbone interact. energy: 3.383 local terms energy: -310.285620 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -68.753 flat angles C4'-P-C4' energy: -65.729 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -71.631 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: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -954.573261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.573261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.573261 (E_RNA) where: Base-Base interactions energy: -611.760 where: short stacking energy: -277.793 Base-Backbone interact. energy: -1.126 local terms energy: -341.687337 where: bonds (distance) C4'-P energy: -60.354 bonds (distance) P-C4' energy: -76.059 flat angles C4'-P-C4' energy: -67.969 flat angles P-C4'-P energy: -52.056 tors. eta vs tors. theta energy: -85.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -870.333281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.333281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.333281 (E_RNA) where: Base-Base interactions energy: -574.188 where: short stacking energy: -253.634 Base-Backbone interact. energy: 1.972 local terms energy: -298.117272 where: bonds (distance) C4'-P energy: -46.971 bonds (distance) P-C4' energy: -74.630 flat angles C4'-P-C4' energy: -51.048 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: -77.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -759.151363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.151363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.151363 (E_RNA) where: Base-Base interactions energy: -479.334 where: short stacking energy: -231.034 Base-Backbone interact. energy: -0.959 local terms energy: -278.858833 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -64.660 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -44.634 tors. eta vs tors. theta energy: -49.327 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: 304 Temperature: 1.250000 Total energy: -592.211961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.211961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.211961 (E_RNA) where: Base-Base interactions energy: -356.894 where: short stacking energy: -182.226 Base-Backbone interact. energy: -1.241 local terms energy: -234.077471 where: bonds (distance) C4'-P energy: -55.548 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -49.991 flat angles P-C4'-P energy: -31.688 tors. eta vs tors. theta energy: -38.238 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -405.793349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.793349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.793349 (E_RNA) where: Base-Base interactions energy: -202.280 where: short stacking energy: -122.148 Base-Backbone interact. energy: 0.695 local terms energy: -204.208526 where: bonds (distance) C4'-P energy: -59.569 bonds (distance) P-C4' energy: -58.205 flat angles C4'-P-C4' energy: -51.468 flat angles P-C4'-P energy: -31.982 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -283.459885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.459885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.459885 (E_RNA) where: Base-Base interactions energy: -109.484 where: short stacking energy: -102.702 Base-Backbone interact. energy: 0.247 local terms energy: -174.223081 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -57.976 flat angles C4'-P-C4' energy: -43.160 flat angles P-C4'-P energy: -19.042 tors. eta vs tors. theta energy: 5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1119.813963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.813963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.813963 (E_RNA) where: Base-Base interactions energy: -763.789 where: short stacking energy: -336.156 Base-Backbone interact. energy: -0.587 local terms energy: -355.437407 where: bonds (distance) C4'-P energy: -71.900 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -73.476 flat angles P-C4'-P energy: -50.024 tors. eta vs tors. theta energy: -93.679 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: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1090.958067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.958067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.958067 (E_RNA) where: Base-Base interactions energy: -709.865 where: short stacking energy: -334.752 Base-Backbone interact. energy: -2.177 local terms energy: -378.916172 where: bonds (distance) C4'-P energy: -69.112 bonds (distance) P-C4' energy: -81.197 flat angles C4'-P-C4' energy: -77.065 flat angles P-C4'-P energy: -54.549 tors. eta vs tors. theta energy: -96.993 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: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1021.804060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.804060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.804060 (E_RNA) where: Base-Base interactions energy: -678.125 where: short stacking energy: -305.364 Base-Backbone interact. energy: -1.491 local terms energy: -342.188516 where: bonds (distance) C4'-P energy: -65.435 bonds (distance) P-C4' energy: -64.712 flat angles C4'-P-C4' energy: -79.520 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -956.862284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.862284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.862284 (E_RNA) where: Base-Base interactions energy: -639.018 where: short stacking energy: -271.128 Base-Backbone interact. energy: -1.754 local terms energy: -316.090112 where: bonds (distance) C4'-P energy: -55.306 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -78.446 flat angles P-C4'-P energy: -43.045 tors. eta vs tors. theta energy: -68.722 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: 305 Temperature: 1.100000 Total energy: -908.701714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.701714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.701714 (E_RNA) where: Base-Base interactions energy: -589.106 where: short stacking energy: -271.190 Base-Backbone interact. energy: -1.706 local terms energy: -317.889591 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -68.011 flat angles C4'-P-C4' energy: -67.750 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: -75.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -819.555037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.555037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.555037 (E_RNA) where: Base-Base interactions energy: -523.585 where: short stacking energy: -219.679 Base-Backbone interact. energy: -0.033 local terms energy: -295.937244 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -62.607 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -38.351 tors. eta vs tors. theta energy: -55.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -760.861173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.861173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.861173 (E_RNA) where: Base-Base interactions energy: -482.913 where: short stacking energy: -227.761 Base-Backbone interact. energy: -1.266 local terms energy: -276.681478 where: bonds (distance) C4'-P energy: -43.677 bonds (distance) P-C4' energy: -69.965 flat angles C4'-P-C4' energy: -53.629 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -56.903 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: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -583.267468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.267468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.267468 (E_RNA) where: Base-Base interactions energy: -336.780 where: short stacking energy: -167.131 Base-Backbone interact. energy: 1.745 local terms energy: -248.232282 where: bonds (distance) C4'-P energy: -57.317 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -56.130 flat angles P-C4'-P energy: -40.034 tors. eta vs tors. theta energy: -36.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -379.650687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.650687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.650687 (E_RNA) where: Base-Base interactions energy: -180.021 where: short stacking energy: -109.973 Base-Backbone interact. energy: -0.850 local terms energy: -198.780008 where: bonds (distance) C4'-P energy: -59.867 bonds (distance) P-C4' energy: -44.766 flat angles C4'-P-C4' energy: -52.315 flat angles P-C4'-P energy: -37.450 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -307.973499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.973499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.973499 (E_RNA) where: Base-Base interactions energy: -119.863 where: short stacking energy: -99.634 Base-Backbone interact. energy: 2.362 local terms energy: -190.472334 where: bonds (distance) C4'-P energy: -61.477 bonds (distance) P-C4' energy: -58.819 flat angles C4'-P-C4' energy: -49.764 flat angles P-C4'-P energy: -34.233 tors. eta vs tors. theta energy: 13.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1143.070375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.070375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.070375 (E_RNA) where: Base-Base interactions energy: -791.893 where: short stacking energy: -344.867 Base-Backbone interact. energy: -3.373 local terms energy: -347.804286 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -78.110 flat angles P-C4'-P energy: -44.715 tors. eta vs tors. theta energy: -97.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1075.900274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.900274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.900274 (E_RNA) where: Base-Base interactions energy: -706.539 where: short stacking energy: -330.185 Base-Backbone interact. energy: -1.126 local terms energy: -368.234649 where: bonds (distance) C4'-P energy: -62.996 bonds (distance) P-C4' energy: -72.264 flat angles C4'-P-C4' energy: -75.711 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -101.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1033.761027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.761027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.761027 (E_RNA) where: Base-Base interactions energy: -690.021 where: short stacking energy: -306.382 Base-Backbone interact. energy: 2.136 local terms energy: -345.875761 where: bonds (distance) C4'-P energy: -73.354 bonds (distance) P-C4' energy: -72.655 flat angles C4'-P-C4' energy: -71.527 flat angles P-C4'-P energy: -37.352 tors. eta vs tors. theta energy: -90.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -945.333462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.333462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.333462 (E_RNA) where: Base-Base interactions energy: -614.132 where: short stacking energy: -258.697 Base-Backbone interact. energy: -1.520 local terms energy: -329.681354 where: bonds (distance) C4'-P energy: -62.155 bonds (distance) P-C4' energy: -67.388 flat angles C4'-P-C4' energy: -70.918 flat angles P-C4'-P energy: -54.219 tors. eta vs tors. theta energy: -75.002 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: 306 Temperature: 1.100000 Total energy: -939.658493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.658493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.658493 (E_RNA) where: Base-Base interactions energy: -616.350 where: short stacking energy: -264.850 Base-Backbone interact. energy: -0.580 local terms energy: -322.728096 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -72.003 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: -72.379 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: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -833.910693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.910693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.910693 (E_RNA) where: Base-Base interactions energy: -523.786 where: short stacking energy: -240.691 Base-Backbone interact. energy: -0.431 local terms energy: -309.693248 where: bonds (distance) C4'-P energy: -49.039 bonds (distance) P-C4' energy: -59.034 flat angles C4'-P-C4' energy: -70.848 flat angles P-C4'-P energy: -55.012 tors. eta vs tors. theta energy: -75.760 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: 306 Temperature: 1.200000 Total energy: -751.746124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.746124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.746124 (E_RNA) where: Base-Base interactions energy: -482.844 where: short stacking energy: -211.910 Base-Backbone interact. energy: 1.412 local terms energy: -270.314917 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -54.523 flat angles C4'-P-C4' energy: -63.118 flat angles P-C4'-P energy: -38.753 tors. eta vs tors. theta energy: -57.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -586.521943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.521943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.521943 (E_RNA) where: Base-Base interactions energy: -332.929 where: short stacking energy: -161.228 Base-Backbone interact. energy: -2.720 local terms energy: -250.873010 where: bonds (distance) C4'-P energy: -57.587 bonds (distance) P-C4' energy: -70.771 flat angles C4'-P-C4' energy: -48.430 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -31.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -401.921015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.921015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.921015 (E_RNA) where: Base-Base interactions energy: -212.540 where: short stacking energy: -127.053 Base-Backbone interact. energy: -0.160 local terms energy: -189.220485 where: bonds (distance) C4'-P energy: -59.220 bonds (distance) P-C4' energy: -51.773 flat angles C4'-P-C4' energy: -43.062 flat angles P-C4'-P energy: -25.466 tors. eta vs tors. theta energy: -9.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -283.726681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.726681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.726681 (E_RNA) where: Base-Base interactions energy: -105.639 where: short stacking energy: -59.180 Base-Backbone interact. energy: 1.948 local terms energy: -180.036217 where: bonds (distance) C4'-P energy: -60.962 bonds (distance) P-C4' energy: -57.362 flat angles C4'-P-C4' energy: -56.799 flat angles P-C4'-P energy: -21.051 tors. eta vs tors. theta energy: 16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1137.856477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.856477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.856477 (E_RNA) where: Base-Base interactions energy: -769.415 where: short stacking energy: -329.102 Base-Backbone interact. energy: 0.616 local terms energy: -369.058133 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -67.406 flat angles C4'-P-C4' energy: -86.145 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -95.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1044.364940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.364940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.364940 (E_RNA) where: Base-Base interactions energy: -686.475 where: short stacking energy: -300.045 Base-Backbone interact. energy: -1.880 local terms energy: -356.009903 where: bonds (distance) C4'-P energy: -66.495 bonds (distance) P-C4' energy: -74.331 flat angles C4'-P-C4' energy: -75.414 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -88.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1013.161435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.161435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.161435 (E_RNA) where: Base-Base interactions energy: -687.278 where: short stacking energy: -307.219 Base-Backbone interact. energy: -1.258 local terms energy: -324.626164 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -56.023 flat angles C4'-P-C4' energy: -76.588 flat angles P-C4'-P energy: -47.496 tors. eta vs tors. theta energy: -87.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -958.467422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.467422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.467422 (E_RNA) where: Base-Base interactions energy: -638.457 where: short stacking energy: -284.432 Base-Backbone interact. energy: -0.669 local terms energy: -319.341414 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -77.856 flat angles C4'-P-C4' energy: -68.063 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -75.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -918.979376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.979376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.979376 (E_RNA) where: Base-Base interactions energy: -603.904 where: short stacking energy: -295.059 Base-Backbone interact. energy: -0.222 local terms energy: -314.853498 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -56.148 flat angles C4'-P-C4' energy: -70.876 flat angles P-C4'-P energy: -48.848 tors. eta vs tors. theta energy: -80.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -806.199498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.199498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.199498 (E_RNA) where: Base-Base interactions energy: -517.826 where: short stacking energy: -231.518 Base-Backbone interact. energy: -1.702 local terms energy: -286.671703 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -47.764 flat angles C4'-P-C4' energy: -73.711 flat angles P-C4'-P energy: -35.336 tors. eta vs tors. theta energy: -65.768 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: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -721.609557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.609557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.609557 (E_RNA) where: Base-Base interactions energy: -471.970 where: short stacking energy: -201.937 Base-Backbone interact. energy: -0.351 local terms energy: -249.288106 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -59.630 flat angles C4'-P-C4' energy: -58.970 flat angles P-C4'-P energy: -28.728 tors. eta vs tors. theta energy: -42.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -599.632763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.632763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.632763 (E_RNA) where: Base-Base interactions energy: -385.799 where: short stacking energy: -199.590 Base-Backbone interact. energy: 0.581 local terms energy: -214.415604 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -38.569 flat angles C4'-P-C4' energy: -50.390 flat angles P-C4'-P energy: -28.729 tors. eta vs tors. theta energy: -36.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -362.534229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.534229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.534229 (E_RNA) where: Base-Base interactions energy: -165.078 where: short stacking energy: -100.643 Base-Backbone interact. energy: -0.684 local terms energy: -196.772653 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -62.925 flat angles C4'-P-C4' energy: -44.556 flat angles P-C4'-P energy: -29.313 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -266.086625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.086625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.086625 (E_RNA) where: Base-Base interactions energy: -76.521 where: short stacking energy: -71.291 Base-Backbone interact. energy: 1.496 local terms energy: -191.061614 where: bonds (distance) C4'-P energy: -68.966 bonds (distance) P-C4' energy: -55.949 flat angles C4'-P-C4' energy: -45.875 flat angles P-C4'-P energy: -35.693 tors. eta vs tors. theta energy: 15.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1144.635882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.635882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.635882 (E_RNA) where: Base-Base interactions energy: -786.700 where: short stacking energy: -324.808 Base-Backbone interact. energy: -2.528 local terms energy: -355.407728 where: bonds (distance) C4'-P energy: -58.163 bonds (distance) P-C4' energy: -72.583 flat angles C4'-P-C4' energy: -80.615 flat angles P-C4'-P energy: -55.148 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: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1039.427248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.427248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.427248 (E_RNA) where: Base-Base interactions energy: -698.162 where: short stacking energy: -322.955 Base-Backbone interact. energy: -1.777 local terms energy: -339.488760 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -77.821 flat angles P-C4'-P energy: -55.534 tors. eta vs tors. theta energy: -82.841 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: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1007.642399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.642399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.642399 (E_RNA) where: Base-Base interactions energy: -664.496 where: short stacking energy: -308.310 Base-Backbone interact. energy: -1.732 local terms energy: -341.414787 where: bonds (distance) C4'-P energy: -76.359 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -37.952 tors. eta vs tors. theta energy: -86.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -945.488556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.488556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.488556 (E_RNA) where: Base-Base interactions energy: -612.998 where: short stacking energy: -274.042 Base-Backbone interact. energy: -1.212 local terms energy: -331.279078 where: bonds (distance) C4'-P energy: -60.795 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -72.636 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: -83.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -934.640401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.640401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.640401 (E_RNA) where: Base-Base interactions energy: -622.384 where: short stacking energy: -294.959 Base-Backbone interact. energy: -0.716 local terms energy: -311.540721 where: bonds (distance) C4'-P energy: -57.748 bonds (distance) P-C4' energy: -56.045 flat angles C4'-P-C4' energy: -69.912 flat angles P-C4'-P energy: -42.251 tors. eta vs tors. theta energy: -85.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -769.277273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.277273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.277273 (E_RNA) where: Base-Base interactions energy: -495.924 where: short stacking energy: -245.095 Base-Backbone interact. energy: -1.182 local terms energy: -272.172092 where: bonds (distance) C4'-P energy: -60.794 bonds (distance) P-C4' energy: -60.894 flat angles C4'-P-C4' energy: -65.075 flat angles P-C4'-P energy: -31.080 tors. eta vs tors. theta energy: -54.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -760.382894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.382894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.382894 (E_RNA) where: Base-Base interactions energy: -486.127 where: short stacking energy: -238.058 Base-Backbone interact. energy: -0.725 local terms energy: -273.530155 where: bonds (distance) C4'-P energy: -58.290 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -66.996 flat angles P-C4'-P energy: -23.038 tors. eta vs tors. theta energy: -61.875 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: 308 Temperature: 1.250000 Total energy: -613.082934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.082934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.082934 (E_RNA) where: Base-Base interactions energy: -368.311 where: short stacking energy: -187.785 Base-Backbone interact. energy: 0.944 local terms energy: -245.716108 where: bonds (distance) C4'-P energy: -66.466 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -47.788 flat angles P-C4'-P energy: -38.097 tors. eta vs tors. theta energy: -27.641 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -356.212647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.212647 (E_RNA) where: Base-Base interactions energy: -145.560 where: short stacking energy: -98.536 Base-Backbone interact. energy: -2.107 local terms energy: -208.545395 where: bonds (distance) C4'-P energy: -67.381 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -42.715 flat angles P-C4'-P energy: -27.426 tors. eta vs tors. theta energy: -5.298 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: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -303.234932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.234932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.234932 (E_RNA) where: Base-Base interactions energy: -102.889 where: short stacking energy: -96.731 Base-Backbone interact. energy: -1.041 local terms energy: -199.305575 where: bonds (distance) C4'-P energy: -57.928 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -55.300 flat angles P-C4'-P energy: -29.212 tors. eta vs tors. theta energy: 3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1150.951072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.951072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.951072 (E_RNA) where: Base-Base interactions energy: -781.601 where: short stacking energy: -330.353 Base-Backbone interact. energy: -4.484 local terms energy: -364.866286 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -75.352 flat angles C4'-P-C4' energy: -79.611 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -99.264 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: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1053.499742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.499742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.499742 (E_RNA) where: Base-Base interactions energy: -706.741 where: short stacking energy: -325.927 Base-Backbone interact. energy: -1.512 local terms energy: -345.246101 where: bonds (distance) C4'-P energy: -72.936 bonds (distance) P-C4' energy: -69.131 flat angles C4'-P-C4' energy: -59.079 flat angles P-C4'-P energy: -50.003 tors. eta vs tors. theta energy: -94.097 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: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1029.703671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.703671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.703671 (E_RNA) where: Base-Base interactions energy: -687.843 where: short stacking energy: -314.345 Base-Backbone interact. energy: -0.886 local terms energy: -340.974120 where: bonds (distance) C4'-P energy: -62.453 bonds (distance) P-C4' energy: -63.311 flat angles C4'-P-C4' energy: -82.861 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -85.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -962.274001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.274001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.274001 (E_RNA) where: Base-Base interactions energy: -645.143 where: short stacking energy: -284.127 Base-Backbone interact. energy: -0.356 local terms energy: -316.775160 where: bonds (distance) C4'-P energy: -61.582 bonds (distance) P-C4' energy: -67.158 flat angles C4'-P-C4' energy: -75.675 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -70.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -886.511192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.511192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.511192 (E_RNA) where: Base-Base interactions energy: -567.288 where: short stacking energy: -273.220 Base-Backbone interact. energy: -1.234 local terms energy: -317.988757 where: bonds (distance) C4'-P energy: -51.889 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -71.486 flat angles P-C4'-P energy: -43.162 tors. eta vs tors. theta energy: -88.219 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: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -748.753981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.753981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.753981 (E_RNA) where: Base-Base interactions energy: -472.530 where: short stacking energy: -216.711 Base-Backbone interact. energy: -0.010 local terms energy: -276.214253 where: bonds (distance) C4'-P energy: -50.838 bonds (distance) P-C4' energy: -63.081 flat angles C4'-P-C4' energy: -57.701 flat angles P-C4'-P energy: -40.543 tors. eta vs tors. theta energy: -64.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -742.757321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.757321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.757321 (E_RNA) where: Base-Base interactions energy: -463.211 where: short stacking energy: -222.548 Base-Backbone interact. energy: -0.328 local terms energy: -279.218297 where: bonds (distance) C4'-P energy: -59.180 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -64.684 flat angles P-C4'-P energy: -36.224 tors. eta vs tors. theta energy: -57.795 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: 309 Temperature: 1.250000 Total energy: -591.363354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.363354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.363354 (E_RNA) where: Base-Base interactions energy: -353.815 where: short stacking energy: -188.962 Base-Backbone interact. energy: -2.893 local terms energy: -234.655799 where: bonds (distance) C4'-P energy: -60.401 bonds (distance) P-C4' energy: -57.630 flat angles C4'-P-C4' energy: -53.641 flat angles P-C4'-P energy: -36.206 tors. eta vs tors. theta energy: -26.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -329.662073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.662073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.662073 (E_RNA) where: Base-Base interactions energy: -126.578 where: short stacking energy: -82.476 Base-Backbone interact. energy: 0.546 local terms energy: -203.629305 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -66.730 flat angles C4'-P-C4' energy: -61.195 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: 8.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -282.502231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.502231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.502231 (E_RNA) where: Base-Base interactions energy: -104.033 where: short stacking energy: -94.200 Base-Backbone interact. energy: 1.209 local terms energy: -179.678186 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -65.207 flat angles C4'-P-C4' energy: -43.038 flat angles P-C4'-P energy: -26.952 tors. eta vs tors. theta energy: 18.165 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: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1139.081002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.081002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.081002 (E_RNA) where: Base-Base interactions energy: -780.085 where: short stacking energy: -341.822 Base-Backbone interact. energy: -1.480 local terms energy: -357.515821 where: bonds (distance) C4'-P energy: -64.607 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: -94.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1051.421250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.421250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.421250 (E_RNA) where: Base-Base interactions energy: -698.512 where: short stacking energy: -330.845 Base-Backbone interact. energy: -0.927 local terms energy: -351.982869 where: bonds (distance) C4'-P energy: -66.255 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -76.975 flat angles P-C4'-P energy: -51.434 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: 3, replica: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1024.909823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.909823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.909823 (E_RNA) where: Base-Base interactions energy: -682.010 where: short stacking energy: -308.010 Base-Backbone interact. energy: -2.062 local terms energy: -340.838103 where: bonds (distance) C4'-P energy: -67.458 bonds (distance) P-C4' energy: -60.966 flat angles C4'-P-C4' energy: -72.809 flat angles P-C4'-P energy: -47.385 tors. eta vs tors. theta energy: -92.220 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: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -948.861101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.861101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.861101 (E_RNA) where: Base-Base interactions energy: -646.250 where: short stacking energy: -275.943 Base-Backbone interact. energy: 1.981 local terms energy: -304.592139 where: bonds (distance) C4'-P energy: -64.232 bonds (distance) P-C4' energy: -66.684 flat angles C4'-P-C4' energy: -70.561 flat angles P-C4'-P energy: -34.310 tors. eta vs tors. theta energy: -68.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -888.665682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.665682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.665682 (E_RNA) where: Base-Base interactions energy: -591.302 where: short stacking energy: -285.345 Base-Backbone interact. energy: 3.195 local terms energy: -300.559104 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -66.435 flat angles C4'-P-C4' energy: -57.202 flat angles P-C4'-P energy: -43.739 tors. eta vs tors. theta energy: -77.709 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: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -739.323940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.323940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.323940 (E_RNA) where: Base-Base interactions energy: -466.487 where: short stacking energy: -217.141 Base-Backbone interact. energy: -0.917 local terms energy: -271.919965 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -58.171 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: -51.043 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: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -715.422039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.422039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.422039 (E_RNA) where: Base-Base interactions energy: -452.076 where: short stacking energy: -216.739 Base-Backbone interact. energy: -1.119 local terms energy: -262.227182 where: bonds (distance) C4'-P energy: -58.659 bonds (distance) P-C4' energy: -55.957 flat angles C4'-P-C4' energy: -50.205 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -54.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -578.897631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.897631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.897631 (E_RNA) where: Base-Base interactions energy: -332.689 where: short stacking energy: -169.646 Base-Backbone interact. energy: -0.854 local terms energy: -245.354635 where: bonds (distance) C4'-P energy: -51.145 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -58.753 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -30.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -331.891534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.891534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.891534 (E_RNA) where: Base-Base interactions energy: -110.044 where: short stacking energy: -97.711 Base-Backbone interact. energy: -0.809 local terms energy: -221.038030 where: bonds (distance) C4'-P energy: -59.453 bonds (distance) P-C4' energy: -67.984 flat angles C4'-P-C4' energy: -45.273 flat angles P-C4'-P energy: -40.796 tors. eta vs tors. theta energy: -7.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -275.379942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.379942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.379942 (E_RNA) where: Base-Base interactions energy: -100.024 where: short stacking energy: -88.978 Base-Backbone interact. energy: 0.411 local terms energy: -175.766134 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -49.793 flat angles P-C4'-P energy: -19.093 tors. eta vs tors. theta energy: 8.314 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: 311 Temperature: 0.900000 Total energy: -1142.463863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.463863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.463863 (E_RNA) where: Base-Base interactions energy: -791.075 where: short stacking energy: -349.038 Base-Backbone interact. energy: 1.834 local terms energy: -353.223383 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: -95.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1048.511960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.511960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.511960 (E_RNA) where: Base-Base interactions energy: -700.858 where: short stacking energy: -329.246 Base-Backbone interact. energy: -1.592 local terms energy: -346.061849 where: bonds (distance) C4'-P energy: -68.794 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: -88.836 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: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1019.565800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.565800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.565800 (E_RNA) where: Base-Base interactions energy: -678.478 where: short stacking energy: -321.866 Base-Backbone interact. energy: -2.163 local terms energy: -338.924547 where: bonds (distance) C4'-P energy: -71.397 bonds (distance) P-C4' energy: -54.128 flat angles C4'-P-C4' energy: -68.831 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -94.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -938.713879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.713879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.713879 (E_RNA) where: Base-Base interactions energy: -632.651 where: short stacking energy: -271.845 Base-Backbone interact. energy: -1.877 local terms energy: -304.186555 where: bonds (distance) C4'-P energy: -64.779 bonds (distance) P-C4' energy: -59.644 flat angles C4'-P-C4' energy: -62.722 flat angles P-C4'-P energy: -45.145 tors. eta vs tors. theta energy: -71.897 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: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -903.371801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.371801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.371801 (E_RNA) where: Base-Base interactions energy: -603.097 where: short stacking energy: -254.129 Base-Backbone interact. energy: -0.900 local terms energy: -299.374513 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -70.293 flat angles C4'-P-C4' energy: -70.937 flat angles P-C4'-P energy: -33.930 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: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -729.321893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.321893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.321893 (E_RNA) where: Base-Base interactions energy: -454.042 where: short stacking energy: -212.249 Base-Backbone interact. energy: -0.590 local terms energy: -274.689164 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -61.175 flat angles P-C4'-P energy: -41.424 tors. eta vs tors. theta energy: -48.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -770.698844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.698844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.698844 (E_RNA) where: Base-Base interactions energy: -489.940 where: short stacking energy: -230.585 Base-Backbone interact. energy: -0.670 local terms energy: -280.088788 where: bonds (distance) C4'-P energy: -57.564 bonds (distance) P-C4' energy: -70.729 flat angles C4'-P-C4' energy: -61.420 flat angles P-C4'-P energy: -37.641 tors. eta vs tors. theta energy: -52.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -574.038730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.038730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.038730 (E_RNA) where: Base-Base interactions energy: -317.410 where: short stacking energy: -161.453 Base-Backbone interact. energy: -0.313 local terms energy: -256.316248 where: bonds (distance) C4'-P energy: -64.188 bonds (distance) P-C4' energy: -63.061 flat angles C4'-P-C4' energy: -58.610 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -39.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -312.640977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.640977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.640977 (E_RNA) where: Base-Base interactions energy: -111.720 where: short stacking energy: -100.621 Base-Backbone interact. energy: -0.329 local terms energy: -200.592373 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -58.121 flat angles C4'-P-C4' energy: -56.796 flat angles P-C4'-P energy: -32.366 tors. eta vs tors. theta energy: 2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -287.778182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.778182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.778182 (E_RNA) where: Base-Base interactions energy: -114.314 where: short stacking energy: -76.942 Base-Backbone interact. energy: -1.105 local terms energy: -172.358321 where: bonds (distance) C4'-P energy: -51.035 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -47.600 flat angles P-C4'-P energy: -30.601 tors. eta vs tors. theta energy: 15.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1149.163603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.163603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.163603 (E_RNA) where: Base-Base interactions energy: -777.947 where: short stacking energy: -339.158 Base-Backbone interact. energy: -3.186 local terms energy: -368.030289 where: bonds (distance) C4'-P energy: -67.156 bonds (distance) P-C4' energy: -74.770 flat angles C4'-P-C4' energy: -77.462 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -96.353 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: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1065.788389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.788389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.788389 (E_RNA) where: Base-Base interactions energy: -702.094 where: short stacking energy: -334.235 Base-Backbone interact. energy: -3.525 local terms energy: -360.169636 where: bonds (distance) C4'-P energy: -65.045 bonds (distance) P-C4' energy: -72.869 flat angles C4'-P-C4' energy: -76.132 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -100.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1011.208980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.208980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.208980 (E_RNA) where: Base-Base interactions energy: -657.670 where: short stacking energy: -312.336 Base-Backbone interact. energy: -1.816 local terms energy: -351.723077 where: bonds (distance) C4'-P energy: -64.117 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -77.001 flat angles P-C4'-P energy: -57.286 tors. eta vs tors. theta energy: -87.724 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: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -946.986058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.986058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.986058 (E_RNA) where: Base-Base interactions energy: -629.905 where: short stacking energy: -266.961 Base-Backbone interact. energy: -2.761 local terms energy: -314.319985 where: bonds (distance) C4'-P energy: -71.535 bonds (distance) P-C4' energy: -58.253 flat angles C4'-P-C4' energy: -68.947 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -72.911 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: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -908.528614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.528614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.528614 (E_RNA) where: Base-Base interactions energy: -613.023 where: short stacking energy: -261.723 Base-Backbone interact. energy: -1.351 local terms energy: -294.154655 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -58.041 flat angles C4'-P-C4' energy: -71.306 flat angles P-C4'-P energy: -35.618 tors. eta vs tors. theta energy: -70.597 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: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -785.119739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.119739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.119739 (E_RNA) where: Base-Base interactions energy: -500.536 where: short stacking energy: -228.055 Base-Backbone interact. energy: -1.153 local terms energy: -283.430257 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -69.294 flat angles C4'-P-C4' energy: -57.632 flat angles P-C4'-P energy: -37.283 tors. eta vs tors. theta energy: -57.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -738.748952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.748952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.748952 (E_RNA) where: Base-Base interactions energy: -467.665 where: short stacking energy: -214.778 Base-Backbone interact. energy: 0.970 local terms energy: -272.054077 where: bonds (distance) C4'-P energy: -56.186 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -52.035 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -60.671 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: 312 Temperature: 1.250000 Total energy: -601.363185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.363185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.363185 (E_RNA) where: Base-Base interactions energy: -362.942 where: short stacking energy: -184.077 Base-Backbone interact. energy: -0.177 local terms energy: -238.244390 where: bonds (distance) C4'-P energy: -48.101 bonds (distance) P-C4' energy: -67.360 flat angles C4'-P-C4' energy: -64.140 flat angles P-C4'-P energy: -28.837 tors. eta vs tors. theta energy: -29.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -311.421186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.421186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.421186 (E_RNA) where: Base-Base interactions energy: -125.624 where: short stacking energy: -112.315 Base-Backbone interact. energy: 5.578 local terms energy: -191.375967 where: bonds (distance) C4'-P energy: -59.171 bonds (distance) P-C4' energy: -58.732 flat angles C4'-P-C4' energy: -45.757 flat angles P-C4'-P energy: -22.282 tors. eta vs tors. theta energy: -5.434 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -271.988002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.988002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.988002 (E_RNA) where: Base-Base interactions energy: -106.605 where: short stacking energy: -77.198 Base-Backbone interact. energy: -3.394 local terms energy: -161.988889 where: bonds (distance) C4'-P energy: -57.951 bonds (distance) P-C4' energy: -55.266 flat angles C4'-P-C4' energy: -38.833 flat angles P-C4'-P energy: -17.111 tors. eta vs tors. theta energy: 7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1149.741907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.741907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.741907 (E_RNA) where: Base-Base interactions energy: -793.872 where: short stacking energy: -339.092 Base-Backbone interact. energy: -0.655 local terms energy: -355.213972 where: bonds (distance) C4'-P energy: -68.540 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -76.249 flat angles P-C4'-P energy: -51.206 tors. eta vs tors. theta energy: -89.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1055.112728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.112728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.112728 (E_RNA) where: Base-Base interactions energy: -702.885 where: short stacking energy: -323.631 Base-Backbone interact. energy: 0.324 local terms energy: -352.551383 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -72.387 flat angles C4'-P-C4' energy: -76.218 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -86.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1054.980871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.980871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.980871 (E_RNA) where: Base-Base interactions energy: -686.919 where: short stacking energy: -322.700 Base-Backbone interact. energy: -0.670 local terms energy: -367.391979 where: bonds (distance) C4'-P energy: -72.468 bonds (distance) P-C4' energy: -76.158 flat angles C4'-P-C4' energy: -79.286 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: -93.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -937.208711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.208711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.208711 (E_RNA) where: Base-Base interactions energy: -616.088 where: short stacking energy: -262.816 Base-Backbone interact. energy: -0.163 local terms energy: -320.957870 where: bonds (distance) C4'-P energy: -68.588 bonds (distance) P-C4' energy: -59.673 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -74.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -938.149166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.149166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.149166 (E_RNA) where: Base-Base interactions energy: -624.868 where: short stacking energy: -269.688 Base-Backbone interact. energy: -1.386 local terms energy: -311.894513 where: bonds (distance) C4'-P energy: -70.276 bonds (distance) P-C4' energy: -66.623 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -38.957 tors. eta vs tors. theta energy: -66.304 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: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -785.836696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.836696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.836696 (E_RNA) where: Base-Base interactions energy: -488.330 where: short stacking energy: -231.536 Base-Backbone interact. energy: -1.505 local terms energy: -296.001686 where: bonds (distance) C4'-P energy: -56.413 bonds (distance) P-C4' energy: -67.209 flat angles C4'-P-C4' energy: -64.494 flat angles P-C4'-P energy: -47.292 tors. eta vs tors. theta energy: -60.595 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: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -764.425336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.425336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.425336 (E_RNA) where: Base-Base interactions energy: -489.212 where: short stacking energy: -219.850 Base-Backbone interact. energy: -1.698 local terms energy: -273.515260 where: bonds (distance) C4'-P energy: -47.510 bonds (distance) P-C4' energy: -66.921 flat angles C4'-P-C4' energy: -67.188 flat angles P-C4'-P energy: -35.808 tors. eta vs tors. theta energy: -56.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -588.369717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.369717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.369717 (E_RNA) where: Base-Base interactions energy: -362.001 where: short stacking energy: -181.901 Base-Backbone interact. energy: 3.632 local terms energy: -230.000431 where: bonds (distance) C4'-P energy: -45.441 bonds (distance) P-C4' energy: -55.814 flat angles C4'-P-C4' energy: -65.439 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -31.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -322.435496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.435496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.435496 (E_RNA) where: Base-Base interactions energy: -109.761 where: short stacking energy: -90.300 Base-Backbone interact. energy: -1.659 local terms energy: -211.015748 where: bonds (distance) C4'-P energy: -61.915 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -67.505 flat angles P-C4'-P energy: -32.743 tors. eta vs tors. theta energy: 10.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -306.434386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.434386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.434386 (E_RNA) where: Base-Base interactions energy: -97.570 where: short stacking energy: -84.972 Base-Backbone interact. energy: -1.058 local terms energy: -207.807204 where: bonds (distance) C4'-P energy: -48.633 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -50.096 flat angles P-C4'-P energy: -39.692 tors. eta vs tors. theta energy: -4.605 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: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1156.148218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.148218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.148218 (E_RNA) where: Base-Base interactions energy: -796.448 where: short stacking energy: -338.837 Base-Backbone interact. energy: -1.824 local terms energy: -357.875859 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -71.083 flat angles C4'-P-C4' energy: -75.233 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -91.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1058.647731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.647731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.647731 (E_RNA) where: Base-Base interactions energy: -715.351 where: short stacking energy: -332.786 Base-Backbone interact. energy: -0.336 local terms energy: -342.961213 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: -94.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1004.559863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.559863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.559863 (E_RNA) where: Base-Base interactions energy: -676.097 where: short stacking energy: -323.384 Base-Backbone interact. energy: 0.665 local terms energy: -329.127756 where: bonds (distance) C4'-P energy: -65.710 bonds (distance) P-C4' energy: -59.386 flat angles C4'-P-C4' energy: -66.078 flat angles P-C4'-P energy: -44.606 tors. eta vs tors. theta energy: -93.347 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: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -941.967084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.967084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.967084 (E_RNA) where: Base-Base interactions energy: -621.455 where: short stacking energy: -272.623 Base-Backbone interact. energy: -1.342 local terms energy: -319.170207 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -61.463 flat angles C4'-P-C4' energy: -72.179 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: -70.905 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: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -891.491559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.491559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.491559 (E_RNA) where: Base-Base interactions energy: -581.976 where: short stacking energy: -245.254 Base-Backbone interact. energy: 0.084 local terms energy: -309.599049 where: bonds (distance) C4'-P energy: -57.109 bonds (distance) P-C4' energy: -64.042 flat angles C4'-P-C4' energy: -73.523 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: -67.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -799.868178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.868178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.868178 (E_RNA) where: Base-Base interactions energy: -515.017 where: short stacking energy: -234.089 Base-Backbone interact. energy: -0.300 local terms energy: -284.551263 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -57.786 flat angles P-C4'-P energy: -39.881 tors. eta vs tors. theta energy: -52.542 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: 314 Temperature: 1.200000 Total energy: -775.128405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.128405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.128405 (E_RNA) where: Base-Base interactions energy: -491.466 where: short stacking energy: -236.745 Base-Backbone interact. energy: -2.550 local terms energy: -281.111976 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -61.588 flat angles P-C4'-P energy: -40.257 tors. eta vs tors. theta energy: -61.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -516.409323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.409323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.409323 (E_RNA) where: Base-Base interactions energy: -277.686 where: short stacking energy: -139.454 Base-Backbone interact. energy: 3.132 local terms energy: -241.855080 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -55.914 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -16.130 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: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -309.892905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.892905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.892905 (E_RNA) where: Base-Base interactions energy: -112.132 where: short stacking energy: -82.625 Base-Backbone interact. energy: -0.200 local terms energy: -197.561042 where: bonds (distance) C4'-P energy: -59.056 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -51.262 flat angles P-C4'-P energy: -24.490 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -276.439362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.439362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.439362 (E_RNA) where: Base-Base interactions energy: -106.097 where: short stacking energy: -102.545 Base-Backbone interact. energy: 0.082 local terms energy: -170.424010 where: bonds (distance) C4'-P energy: -33.245 bonds (distance) P-C4' energy: -59.766 flat angles C4'-P-C4' energy: -51.645 flat angles P-C4'-P energy: -25.710 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1152.899103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.899103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.899103 (E_RNA) where: Base-Base interactions energy: -780.938 where: short stacking energy: -326.204 Base-Backbone interact. energy: 0.916 local terms energy: -372.876819 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -87.656 flat angles P-C4'-P energy: -54.443 tors. eta vs tors. theta energy: -93.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1045.431231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.431231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.431231 (E_RNA) where: Base-Base interactions energy: -697.175 where: short stacking energy: -330.906 Base-Backbone interact. energy: 0.580 local terms energy: -348.836023 where: bonds (distance) C4'-P energy: -67.601 bonds (distance) P-C4' energy: -69.817 flat angles C4'-P-C4' energy: -70.508 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -84.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1007.370860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.370860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.370860 (E_RNA) where: Base-Base interactions energy: -673.701 where: short stacking energy: -310.312 Base-Backbone interact. energy: -0.915 local terms energy: -332.754761 where: bonds (distance) C4'-P energy: -69.129 bonds (distance) P-C4' energy: -60.736 flat angles C4'-P-C4' energy: -73.995 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -81.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -962.179944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.179944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.179944 (E_RNA) where: Base-Base interactions energy: -639.374 where: short stacking energy: -266.799 Base-Backbone interact. energy: -1.220 local terms energy: -321.585750 where: bonds (distance) C4'-P energy: -68.071 bonds (distance) P-C4' energy: -62.464 flat angles C4'-P-C4' energy: -66.112 flat angles P-C4'-P energy: -50.724 tors. eta vs tors. theta energy: -74.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -872.476274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.476274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.476274 (E_RNA) where: Base-Base interactions energy: -566.304 where: short stacking energy: -260.015 Base-Backbone interact. energy: -2.082 local terms energy: -304.091062 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -74.114 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -70.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -801.259283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.259283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.259283 (E_RNA) where: Base-Base interactions energy: -520.226 where: short stacking energy: -253.270 Base-Backbone interact. energy: 1.369 local terms energy: -282.402395 where: bonds (distance) C4'-P energy: -50.416 bonds (distance) P-C4' energy: -64.931 flat angles C4'-P-C4' energy: -62.386 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -60.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -772.324796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.324796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.324796 (E_RNA) where: Base-Base interactions energy: -503.160 where: short stacking energy: -239.628 Base-Backbone interact. energy: 1.264 local terms energy: -270.429113 where: bonds (distance) C4'-P energy: -50.912 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -49.868 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -59.489 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: 315 Temperature: 1.250000 Total energy: -540.351473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.351473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.351473 (E_RNA) where: Base-Base interactions energy: -303.700 where: short stacking energy: -163.508 Base-Backbone interact. energy: 2.888 local terms energy: -239.540068 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -69.532 flat angles C4'-P-C4' energy: -63.958 flat angles P-C4'-P energy: -24.417 tors. eta vs tors. theta energy: -28.042 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: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -295.870318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.870318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.870318 (E_RNA) where: Base-Base interactions energy: -100.445 where: short stacking energy: -84.756 Base-Backbone interact. energy: 8.009 local terms energy: -203.434123 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -60.606 flat angles C4'-P-C4' energy: -49.214 flat angles P-C4'-P energy: -26.040 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -286.950658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.950658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.950658 (E_RNA) where: Base-Base interactions energy: -89.423 where: short stacking energy: -81.685 Base-Backbone interact. energy: 1.074 local terms energy: -198.602086 where: bonds (distance) C4'-P energy: -44.685 bonds (distance) P-C4' energy: -72.877 flat angles C4'-P-C4' energy: -50.673 flat angles P-C4'-P energy: -26.782 tors. eta vs tors. theta energy: -3.586 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: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1144.553115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.553115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.553115 (E_RNA) where: Base-Base interactions energy: -768.947 where: short stacking energy: -332.689 Base-Backbone interact. energy: -0.440 local terms energy: -375.165275 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -82.747 flat angles C4'-P-C4' energy: -79.119 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -94.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1037.688471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.688471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.688471 (E_RNA) where: Base-Base interactions energy: -684.759 where: short stacking energy: -320.544 Base-Backbone interact. energy: -1.516 local terms energy: -351.413557 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -69.845 flat angles C4'-P-C4' energy: -78.158 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -95.563 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: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -986.562820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.562820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.562820 (E_RNA) where: Base-Base interactions energy: -647.274 where: short stacking energy: -312.482 Base-Backbone interact. energy: -0.468 local terms energy: -338.821278 where: bonds (distance) C4'-P energy: -70.085 bonds (distance) P-C4' energy: -61.629 flat angles C4'-P-C4' energy: -68.515 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -92.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -980.532071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.532071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.532071 (E_RNA) where: Base-Base interactions energy: -645.857 where: short stacking energy: -288.864 Base-Backbone interact. energy: -0.177 local terms energy: -334.497424 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -68.975 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -45.133 tors. eta vs tors. theta energy: -81.010 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: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -862.681987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.681987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.681987 (E_RNA) where: Base-Base interactions energy: -571.456 where: short stacking energy: -256.613 Base-Backbone interact. energy: 2.290 local terms energy: -293.516358 where: bonds (distance) C4'-P energy: -49.626 bonds (distance) P-C4' energy: -65.818 flat angles C4'-P-C4' energy: -62.311 flat angles P-C4'-P energy: -41.957 tors. eta vs tors. theta energy: -73.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -779.501006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.501006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.501006 (E_RNA) where: Base-Base interactions energy: -490.420 where: short stacking energy: -255.979 Base-Backbone interact. energy: -1.168 local terms energy: -287.913812 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -54.278 flat angles C4'-P-C4' energy: -68.187 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -67.023 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: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -764.035908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.035908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.035908 (E_RNA) where: Base-Base interactions energy: -487.066 where: short stacking energy: -230.331 Base-Backbone interact. energy: -0.897 local terms energy: -276.072663 where: bonds (distance) C4'-P energy: -62.675 bonds (distance) P-C4' energy: -56.073 flat angles C4'-P-C4' energy: -58.166 flat angles P-C4'-P energy: -37.970 tors. eta vs tors. theta energy: -61.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -496.454481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.454481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.454481 (E_RNA) where: Base-Base interactions energy: -260.798 where: short stacking energy: -131.724 Base-Backbone interact. energy: 1.663 local terms energy: -237.319707 where: bonds (distance) C4'-P energy: -51.030 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -57.505 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -21.669 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: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -370.566966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.566966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.566966 (E_RNA) where: Base-Base interactions energy: -180.992 where: short stacking energy: -105.824 Base-Backbone interact. energy: 4.444 local terms energy: -194.018197 where: bonds (distance) C4'-P energy: -40.997 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -61.360 flat angles P-C4'-P energy: -25.536 tors. eta vs tors. theta energy: -1.751 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: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -297.891349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.891349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.891349 (E_RNA) where: Base-Base interactions energy: -130.473 where: short stacking energy: -79.340 Base-Backbone interact. energy: 2.547 local terms energy: -169.964901 where: bonds (distance) C4'-P energy: -46.771 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -47.585 flat angles P-C4'-P energy: -26.077 tors. eta vs tors. theta energy: 7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1149.092193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.092193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.092193 (E_RNA) where: Base-Base interactions energy: -795.743 where: short stacking energy: -330.656 Base-Backbone interact. energy: -1.078 local terms energy: -352.271256 where: bonds (distance) C4'-P energy: -70.831 bonds (distance) P-C4' energy: -67.804 flat angles C4'-P-C4' energy: -73.858 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -84.510 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: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1044.671302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.671302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.671302 (E_RNA) where: Base-Base interactions energy: -691.070 where: short stacking energy: -316.404 Base-Backbone interact. energy: -1.931 local terms energy: -351.670129 where: bonds (distance) C4'-P energy: -70.014 bonds (distance) P-C4' energy: -63.375 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -53.041 tors. eta vs tors. theta energy: -89.364 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: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1040.261052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.261052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.261052 (E_RNA) where: Base-Base interactions energy: -662.408 where: short stacking energy: -339.652 Base-Backbone interact. energy: -0.641 local terms energy: -377.211918 where: bonds (distance) C4'-P energy: -68.807 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -75.412 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -106.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -977.417595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.417595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.417595 (E_RNA) where: Base-Base interactions energy: -641.537 where: short stacking energy: -286.645 Base-Backbone interact. energy: -1.535 local terms energy: -334.345260 where: bonds (distance) C4'-P energy: -68.209 bonds (distance) P-C4' energy: -78.729 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -38.249 tors. eta vs tors. theta energy: -80.852 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: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -859.982415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.982415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.982415 (E_RNA) where: Base-Base interactions energy: -561.511 where: short stacking energy: -267.631 Base-Backbone interact. energy: -0.268 local terms energy: -298.203082 where: bonds (distance) C4'-P energy: -57.941 bonds (distance) P-C4' energy: -60.286 flat angles C4'-P-C4' energy: -66.040 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -67.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -737.717600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.717600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.717600 (E_RNA) where: Base-Base interactions energy: -473.187 where: short stacking energy: -224.947 Base-Backbone interact. energy: -0.150 local terms energy: -264.380120 where: bonds (distance) C4'-P energy: -49.347 bonds (distance) P-C4' energy: -56.672 flat angles C4'-P-C4' energy: -71.806 flat angles P-C4'-P energy: -40.462 tors. eta vs tors. theta energy: -46.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -766.774097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.774097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.774097 (E_RNA) where: Base-Base interactions energy: -486.192 where: short stacking energy: -218.984 Base-Backbone interact. energy: -1.577 local terms energy: -279.005762 where: bonds (distance) C4'-P energy: -49.344 bonds (distance) P-C4' energy: -65.221 flat angles C4'-P-C4' energy: -66.063 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: -63.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -501.995866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.995866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.995866 (E_RNA) where: Base-Base interactions energy: -263.091 where: short stacking energy: -145.767 Base-Backbone interact. energy: -1.446 local terms energy: -237.458631 where: bonds (distance) C4'-P energy: -55.790 bonds (distance) P-C4' energy: -58.355 flat angles C4'-P-C4' energy: -63.946 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: -26.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -329.290787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.290787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.290787 (E_RNA) where: Base-Base interactions energy: -123.506 where: short stacking energy: -95.666 Base-Backbone interact. energy: 1.543 local terms energy: -207.327789 where: bonds (distance) C4'-P energy: -55.907 bonds (distance) P-C4' energy: -76.358 flat angles C4'-P-C4' energy: -53.331 flat angles P-C4'-P energy: -26.746 tors. eta vs tors. theta energy: 5.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -306.768675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.768675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.768675 (E_RNA) where: Base-Base interactions energy: -123.170 where: short stacking energy: -88.010 Base-Backbone interact. energy: 1.680 local terms energy: -185.279236 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -54.678 flat angles C4'-P-C4' energy: -42.800 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: 9.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1131.810435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.810435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.810435 (E_RNA) where: Base-Base interactions energy: -777.517 where: short stacking energy: -330.247 Base-Backbone interact. energy: -2.051 local terms energy: -352.242284 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -68.876 flat angles C4'-P-C4' energy: -76.439 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -92.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1045.857081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.857081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.857081 (E_RNA) where: Base-Base interactions energy: -689.724 where: short stacking energy: -319.198 Base-Backbone interact. energy: 0.423 local terms energy: -356.556474 where: bonds (distance) C4'-P energy: -75.164 bonds (distance) P-C4' energy: -60.576 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -47.898 tors. eta vs tors. theta energy: -92.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1009.956177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.956177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.956177 (E_RNA) where: Base-Base interactions energy: -668.745 where: short stacking energy: -324.566 Base-Backbone interact. energy: -1.683 local terms energy: -339.528284 where: bonds (distance) C4'-P energy: -59.848 bonds (distance) P-C4' energy: -70.425 flat angles C4'-P-C4' energy: -77.695 flat angles P-C4'-P energy: -42.421 tors. eta vs tors. theta energy: -89.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -975.754505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.754505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.754505 (E_RNA) where: Base-Base interactions energy: -637.558 where: short stacking energy: -279.787 Base-Backbone interact. energy: -0.052 local terms energy: -338.143773 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -73.225 flat angles C4'-P-C4' energy: -65.890 flat angles P-C4'-P energy: -44.015 tors. eta vs tors. theta energy: -84.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -881.741010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.741010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.741010 (E_RNA) where: Base-Base interactions energy: -568.409 where: short stacking energy: -234.147 Base-Backbone interact. energy: -1.541 local terms energy: -311.790703 where: bonds (distance) C4'-P energy: -68.765 bonds (distance) P-C4' energy: -68.666 flat angles C4'-P-C4' energy: -63.790 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -64.916 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: 318 Temperature: 1.150000 Total energy: -747.884296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.884296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.884296 (E_RNA) where: Base-Base interactions energy: -473.578 where: short stacking energy: -210.994 Base-Backbone interact. energy: -2.527 local terms energy: -271.778778 where: bonds (distance) C4'-P energy: -69.360 bonds (distance) P-C4' energy: -60.399 flat angles C4'-P-C4' energy: -62.557 flat angles P-C4'-P energy: -28.898 tors. eta vs tors. theta energy: -50.564 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: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -737.605550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.605550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.605550 (E_RNA) where: Base-Base interactions energy: -484.204 where: short stacking energy: -207.543 Base-Backbone interact. energy: -0.330 local terms energy: -253.071315 where: bonds (distance) C4'-P energy: -53.267 bonds (distance) P-C4' energy: -55.324 flat angles C4'-P-C4' energy: -52.673 flat angles P-C4'-P energy: -32.423 tors. eta vs tors. theta energy: -59.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -534.189920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.189920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.189920 (E_RNA) where: Base-Base interactions energy: -301.760 where: short stacking energy: -149.134 Base-Backbone interact. energy: -1.386 local terms energy: -231.044305 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -70.040 flat angles C4'-P-C4' energy: -60.839 flat angles P-C4'-P energy: -36.433 tors. eta vs tors. theta energy: -12.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -341.432683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.432683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.432683 (E_RNA) where: Base-Base interactions energy: -159.198 where: short stacking energy: -96.829 Base-Backbone interact. energy: 2.262 local terms energy: -184.496570 where: bonds (distance) C4'-P energy: -56.961 bonds (distance) P-C4' energy: -61.805 flat angles C4'-P-C4' energy: -50.529 flat angles P-C4'-P energy: -22.038 tors. eta vs tors. theta energy: 6.837 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: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -286.829350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.829350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.829350 (E_RNA) where: Base-Base interactions energy: -113.726 where: short stacking energy: -95.797 Base-Backbone interact. energy: 0.532 local terms energy: -173.634788 where: bonds (distance) C4'-P energy: -59.551 bonds (distance) P-C4' energy: -52.877 flat angles C4'-P-C4' energy: -43.223 flat angles P-C4'-P energy: -26.686 tors. eta vs tors. theta energy: 8.703 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: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1149.376820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.376820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.376820 (E_RNA) where: Base-Base interactions energy: -807.249 where: short stacking energy: -350.238 Base-Backbone interact. energy: 0.665 local terms energy: -342.793600 where: bonds (distance) C4'-P energy: -52.008 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -79.918 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -95.683 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: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1044.039261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.039261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.039261 (E_RNA) where: Base-Base interactions energy: -686.902 where: short stacking energy: -311.834 Base-Backbone interact. energy: -1.149 local terms energy: -355.988338 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -72.921 flat angles C4'-P-C4' energy: -75.067 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -99.507 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: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -993.456421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.456421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.456421 (E_RNA) where: Base-Base interactions energy: -653.212 where: short stacking energy: -311.326 Base-Backbone interact. energy: -0.643 local terms energy: -339.600910 where: bonds (distance) C4'-P energy: -61.803 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -80.981 flat angles P-C4'-P energy: -38.215 tors. eta vs tors. theta energy: -85.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -954.512051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.512051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.512051 (E_RNA) where: Base-Base interactions energy: -621.758 where: short stacking energy: -276.224 Base-Backbone interact. energy: -2.922 local terms energy: -329.832039 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -66.948 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -75.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -850.407277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.407277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.407277 (E_RNA) where: Base-Base interactions energy: -545.211 where: short stacking energy: -239.027 Base-Backbone interact. energy: -0.965 local terms energy: -304.231197 where: bonds (distance) C4'-P energy: -68.970 bonds (distance) P-C4' energy: -75.267 flat angles C4'-P-C4' energy: -62.180 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: -58.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -751.098610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.098610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.098610 (E_RNA) where: Base-Base interactions energy: -463.087 where: short stacking energy: -225.088 Base-Backbone interact. energy: -1.094 local terms energy: -286.917402 where: bonds (distance) C4'-P energy: -68.791 bonds (distance) P-C4' energy: -60.679 flat angles C4'-P-C4' energy: -60.612 flat angles P-C4'-P energy: -41.183 tors. eta vs tors. theta energy: -55.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -693.562296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.562296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.562296 (E_RNA) where: Base-Base interactions energy: -449.043 where: short stacking energy: -190.680 Base-Backbone interact. energy: -1.074 local terms energy: -243.445257 where: bonds (distance) C4'-P energy: -53.087 bonds (distance) P-C4' energy: -57.457 flat angles C4'-P-C4' energy: -55.664 flat angles P-C4'-P energy: -31.601 tors. eta vs tors. theta energy: -45.636 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: 319 Temperature: 1.250000 Total energy: -513.892078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.892078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.892078 (E_RNA) where: Base-Base interactions energy: -277.596 where: short stacking energy: -135.695 Base-Backbone interact. energy: 2.235 local terms energy: -238.531653 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -62.489 flat angles C4'-P-C4' energy: -56.306 flat angles P-C4'-P energy: -36.296 tors. eta vs tors. theta energy: -24.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -321.107679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.107679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.107679 (E_RNA) where: Base-Base interactions energy: -115.985 where: short stacking energy: -99.207 Base-Backbone interact. energy: -1.510 local terms energy: -203.612527 where: bonds (distance) C4'-P energy: -48.990 bonds (distance) P-C4' energy: -65.109 flat angles C4'-P-C4' energy: -41.427 flat angles P-C4'-P energy: -42.705 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -362.465826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.465826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.465826 (E_RNA) where: Base-Base interactions energy: -169.029 where: short stacking energy: -88.345 Base-Backbone interact. energy: -1.657 local terms energy: -191.779907 where: bonds (distance) C4'-P energy: -45.945 bonds (distance) P-C4' energy: -58.558 flat angles C4'-P-C4' energy: -57.187 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: 2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1142.967164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.967164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.967164 (E_RNA) where: Base-Base interactions energy: -778.192 where: short stacking energy: -323.837 Base-Backbone interact. energy: -0.405 local terms energy: -364.369963 where: bonds (distance) C4'-P energy: -69.497 bonds (distance) P-C4' energy: -65.168 flat angles C4'-P-C4' energy: -79.519 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -92.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1015.085053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.085053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.085053 (E_RNA) where: Base-Base interactions energy: -673.872 where: short stacking energy: -324.860 Base-Backbone interact. energy: -0.611 local terms energy: -340.601468 where: bonds (distance) C4'-P energy: -56.713 bonds (distance) P-C4' energy: -74.425 flat angles C4'-P-C4' energy: -73.021 flat angles P-C4'-P energy: -41.425 tors. eta vs tors. theta energy: -95.017 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: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1015.754273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.754273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.754273 (E_RNA) where: Base-Base interactions energy: -675.712 where: short stacking energy: -305.551 Base-Backbone interact. energy: -0.749 local terms energy: -339.292611 where: bonds (distance) C4'-P energy: -67.750 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -72.155 flat angles P-C4'-P energy: -48.205 tors. eta vs tors. theta energy: -87.484 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: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -983.046086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.046086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.046086 (E_RNA) where: Base-Base interactions energy: -655.604 where: short stacking energy: -290.252 Base-Backbone interact. energy: -0.970 local terms energy: -326.471945 where: bonds (distance) C4'-P energy: -64.055 bonds (distance) P-C4' energy: -64.823 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -45.640 tors. eta vs tors. theta energy: -83.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -855.317784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.317784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.317784 (E_RNA) where: Base-Base interactions energy: -538.451 where: short stacking energy: -268.711 Base-Backbone interact. energy: -2.088 local terms energy: -314.779481 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -67.444 flat angles C4'-P-C4' energy: -69.207 flat angles P-C4'-P energy: -44.832 tors. eta vs tors. theta energy: -66.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -718.707925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.707925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.707925 (E_RNA) where: Base-Base interactions energy: -449.584 where: short stacking energy: -204.430 Base-Backbone interact. energy: -0.354 local terms energy: -268.770712 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -55.760 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -42.651 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: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -708.122253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.122253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.122253 (E_RNA) where: Base-Base interactions energy: -441.164 where: short stacking energy: -209.740 Base-Backbone interact. energy: -0.152 local terms energy: -266.806200 where: bonds (distance) C4'-P energy: -58.744 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -47.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -532.697892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.697892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.697892 (E_RNA) where: Base-Base interactions energy: -295.702 where: short stacking energy: -176.603 Base-Backbone interact. energy: 0.306 local terms energy: -237.302039 where: bonds (distance) C4'-P energy: -41.982 bonds (distance) P-C4' energy: -64.878 flat angles C4'-P-C4' energy: -61.720 flat angles P-C4'-P energy: -28.950 tors. eta vs tors. theta energy: -39.772 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: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -438.175468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.175468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.175468 (E_RNA) where: Base-Base interactions energy: -237.786 where: short stacking energy: -147.312 Base-Backbone interact. energy: 2.508 local terms energy: -202.898370 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -50.613 flat angles C4'-P-C4' energy: -56.588 flat angles P-C4'-P energy: -20.537 tors. eta vs tors. theta energy: -17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -284.500721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.500721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.500721 (E_RNA) where: Base-Base interactions energy: -114.493 where: short stacking energy: -98.370 Base-Backbone interact. energy: -0.619 local terms energy: -169.388938 where: bonds (distance) C4'-P energy: -53.105 bonds (distance) P-C4' energy: -59.760 flat angles C4'-P-C4' energy: -39.360 flat angles P-C4'-P energy: -23.064 tors. eta vs tors. theta energy: 5.901 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: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1135.638456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.638456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.638456 (E_RNA) where: Base-Base interactions energy: -792.596 where: short stacking energy: -332.065 Base-Backbone interact. energy: -1.037 local terms energy: -342.005379 where: bonds (distance) C4'-P energy: -59.420 bonds (distance) P-C4' energy: -72.121 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: -93.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -996.250859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.250859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.250859 (E_RNA) where: Base-Base interactions energy: -651.947 where: short stacking energy: -315.400 Base-Backbone interact. energy: -0.663 local terms energy: -343.640633 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -67.914 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -47.181 tors. eta vs tors. theta energy: -101.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1024.669269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.669269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.669269 (E_RNA) where: Base-Base interactions energy: -687.557 where: short stacking energy: -327.006 Base-Backbone interact. energy: -0.593 local terms energy: -336.519050 where: bonds (distance) C4'-P energy: -67.397 bonds (distance) P-C4' energy: -68.862 flat angles C4'-P-C4' energy: -70.833 flat angles P-C4'-P energy: -43.100 tors. eta vs tors. theta energy: -86.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -971.644665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.644665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.644665 (E_RNA) where: Base-Base interactions energy: -644.314 where: short stacking energy: -291.469 Base-Backbone interact. energy: -0.815 local terms energy: -326.515205 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -67.218 flat angles C4'-P-C4' energy: -66.501 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: -85.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -828.678876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.678876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.678876 (E_RNA) where: Base-Base interactions energy: -539.741 where: short stacking energy: -222.113 Base-Backbone interact. energy: -0.264 local terms energy: -288.673908 where: bonds (distance) C4'-P energy: -56.555 bonds (distance) P-C4' energy: -54.072 flat angles C4'-P-C4' energy: -72.574 flat angles P-C4'-P energy: -45.911 tors. eta vs tors. theta energy: -59.562 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: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -718.133537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.133537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.133537 (E_RNA) where: Base-Base interactions energy: -464.563 where: short stacking energy: -223.274 Base-Backbone interact. energy: 1.687 local terms energy: -255.257772 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -49.645 flat angles C4'-P-C4' energy: -56.241 flat angles P-C4'-P energy: -34.739 tors. eta vs tors. theta energy: -47.551 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: 321 Temperature: 1.200000 Total energy: -726.116929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.116929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.116929 (E_RNA) where: Base-Base interactions energy: -466.863 where: short stacking energy: -214.421 Base-Backbone interact. energy: 2.422 local terms energy: -261.675588 where: bonds (distance) C4'-P energy: -49.298 bonds (distance) P-C4' energy: -61.352 flat angles C4'-P-C4' energy: -55.551 flat angles P-C4'-P energy: -42.332 tors. eta vs tors. theta energy: -53.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -528.305895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.305895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.305895 (E_RNA) where: Base-Base interactions energy: -300.441 where: short stacking energy: -162.194 Base-Backbone interact. energy: -1.215 local terms energy: -226.650357 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -59.437 flat angles C4'-P-C4' energy: -55.755 flat angles P-C4'-P energy: -32.442 tors. eta vs tors. theta energy: -26.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -429.190094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.190094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.190094 (E_RNA) where: Base-Base interactions energy: -215.424 where: short stacking energy: -121.269 Base-Backbone interact. energy: -0.109 local terms energy: -213.656945 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -55.602 flat angles P-C4'-P energy: -35.224 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: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -268.258834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.258834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.258834 (E_RNA) where: Base-Base interactions energy: -95.356 where: short stacking energy: -68.697 Base-Backbone interact. energy: 1.833 local terms energy: -174.736198 where: bonds (distance) C4'-P energy: -54.533 bonds (distance) P-C4' energy: -56.849 flat angles C4'-P-C4' energy: -47.692 flat angles P-C4'-P energy: -32.625 tors. eta vs tors. theta energy: 16.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1141.598708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.598708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.598708 (E_RNA) where: Base-Base interactions energy: -776.965 where: short stacking energy: -334.251 Base-Backbone interact. energy: -2.584 local terms energy: -362.049623 where: bonds (distance) C4'-P energy: -69.884 bonds (distance) P-C4' energy: -81.124 flat angles C4'-P-C4' energy: -77.501 flat angles P-C4'-P energy: -41.613 tors. eta vs tors. theta energy: -91.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1047.613680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.613680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.613680 (E_RNA) where: Base-Base interactions energy: -688.682 where: short stacking energy: -334.110 Base-Backbone interact. energy: -0.775 local terms energy: -358.156082 where: bonds (distance) C4'-P energy: -64.390 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -102.860 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: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1015.274324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.274324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.274324 (E_RNA) where: Base-Base interactions energy: -662.997 where: short stacking energy: -293.273 Base-Backbone interact. energy: -1.253 local terms energy: -351.024221 where: bonds (distance) C4'-P energy: -73.177 bonds (distance) P-C4' energy: -67.088 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -90.146 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: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -977.145119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.145119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.145119 (E_RNA) where: Base-Base interactions energy: -635.506 where: short stacking energy: -306.690 Base-Backbone interact. energy: -0.436 local terms energy: -341.203181 where: bonds (distance) C4'-P energy: -61.966 bonds (distance) P-C4' energy: -68.779 flat angles C4'-P-C4' energy: -71.160 flat angles P-C4'-P energy: -47.790 tors. eta vs tors. theta energy: -91.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -901.339028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.339028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.339028 (E_RNA) where: Base-Base interactions energy: -583.534 where: short stacking energy: -265.083 Base-Backbone interact. energy: 2.685 local terms energy: -320.489395 where: bonds (distance) C4'-P energy: -68.588 bonds (distance) P-C4' energy: -61.298 flat angles C4'-P-C4' energy: -73.277 flat angles P-C4'-P energy: -44.854 tors. eta vs tors. theta energy: -72.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -724.487463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.487463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.487463 (E_RNA) where: Base-Base interactions energy: -446.371 where: short stacking energy: -190.650 Base-Backbone interact. energy: -0.989 local terms energy: -277.127695 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -72.149 flat angles C4'-P-C4' energy: -66.493 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -34.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -752.123028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.123028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.123028 (E_RNA) where: Base-Base interactions energy: -463.472 where: short stacking energy: -218.723 Base-Backbone interact. energy: -0.329 local terms energy: -288.322538 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -60.475 flat angles C4'-P-C4' energy: -60.998 flat angles P-C4'-P energy: -48.035 tors. eta vs tors. theta energy: -57.148 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: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -510.548486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.548486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.548486 (E_RNA) where: Base-Base interactions energy: -289.127 where: short stacking energy: -156.063 Base-Backbone interact. energy: -1.799 local terms energy: -219.622397 where: bonds (distance) C4'-P energy: -54.016 bonds (distance) P-C4' energy: -60.291 flat angles C4'-P-C4' energy: -50.335 flat angles P-C4'-P energy: -33.100 tors. eta vs tors. theta energy: -21.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -446.379993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.379993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.379993 (E_RNA) where: Base-Base interactions energy: -228.137 where: short stacking energy: -135.946 Base-Backbone interact. energy: -0.315 local terms energy: -217.928389 where: bonds (distance) C4'-P energy: -61.052 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -46.740 flat angles P-C4'-P energy: -26.761 tors. eta vs tors. theta energy: -18.335 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: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -282.229688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.229688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.229688 (E_RNA) where: Base-Base interactions energy: -115.311 where: short stacking energy: -105.884 Base-Backbone interact. energy: -0.330 local terms energy: -166.588353 where: bonds (distance) C4'-P energy: -48.063 bonds (distance) P-C4' energy: -50.079 flat angles C4'-P-C4' energy: -47.214 flat angles P-C4'-P energy: -25.716 tors. eta vs tors. theta energy: 4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1121.661304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.661304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.661304 (E_RNA) where: Base-Base interactions energy: -776.521 where: short stacking energy: -332.373 Base-Backbone interact. energy: -0.727 local terms energy: -344.413273 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -78.584 flat angles P-C4'-P energy: -50.744 tors. eta vs tors. theta energy: -93.054 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: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1047.542199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.542199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.542199 (E_RNA) where: Base-Base interactions energy: -697.091 where: short stacking energy: -319.852 Base-Backbone interact. energy: 0.557 local terms energy: -351.007981 where: bonds (distance) C4'-P energy: -72.507 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -91.998 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: 323 Temperature: 1.000000 Total energy: -1006.122955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.122955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.122955 (E_RNA) where: Base-Base interactions energy: -661.239 where: short stacking energy: -313.164 Base-Backbone interact. energy: -0.886 local terms energy: -343.998238 where: bonds (distance) C4'-P energy: -71.617 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -70.971 flat angles P-C4'-P energy: -39.826 tors. eta vs tors. theta energy: -100.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1013.372960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.372960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.372960 (E_RNA) where: Base-Base interactions energy: -659.537 where: short stacking energy: -297.091 Base-Backbone interact. energy: 0.210 local terms energy: -354.045692 where: bonds (distance) C4'-P energy: -65.765 bonds (distance) P-C4' energy: -77.017 flat angles C4'-P-C4' energy: -74.378 flat angles P-C4'-P energy: -53.264 tors. eta vs tors. theta energy: -83.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -922.305660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.305660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.305660 (E_RNA) where: Base-Base interactions energy: -616.152 where: short stacking energy: -278.113 Base-Backbone interact. energy: -0.259 local terms energy: -305.894446 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -66.031 flat angles P-C4'-P energy: -33.141 tors. eta vs tors. theta energy: -76.078 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -731.070614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.070614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.070614 (E_RNA) where: Base-Base interactions energy: -443.049 where: short stacking energy: -200.460 Base-Backbone interact. energy: -0.346 local terms energy: -287.675705 where: bonds (distance) C4'-P energy: -60.692 bonds (distance) P-C4' energy: -69.364 flat angles C4'-P-C4' energy: -66.232 flat angles P-C4'-P energy: -38.887 tors. eta vs tors. theta energy: -52.500 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: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -721.579316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.579316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.579316 (E_RNA) where: Base-Base interactions energy: -446.077 where: short stacking energy: -211.087 Base-Backbone interact. energy: -1.370 local terms energy: -274.132469 where: bonds (distance) C4'-P energy: -53.516 bonds (distance) P-C4' energy: -55.576 flat angles C4'-P-C4' energy: -71.094 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -54.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -514.883401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.883401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.883401 (E_RNA) where: Base-Base interactions energy: -291.177 where: short stacking energy: -147.818 Base-Backbone interact. energy: -1.075 local terms energy: -222.631158 where: bonds (distance) C4'-P energy: -49.115 bonds (distance) P-C4' energy: -54.260 flat angles C4'-P-C4' energy: -61.842 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -18.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -446.870782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.870782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.870782 (E_RNA) where: Base-Base interactions energy: -232.862 where: short stacking energy: -133.641 Base-Backbone interact. energy: -2.755 local terms energy: -211.253705 where: bonds (distance) C4'-P energy: -63.121 bonds (distance) P-C4' energy: -54.955 flat angles C4'-P-C4' energy: -55.512 flat angles P-C4'-P energy: -26.637 tors. eta vs tors. theta energy: -11.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -301.129259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.129259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.129259 (E_RNA) where: Base-Base interactions energy: -100.127 where: short stacking energy: -76.043 Base-Backbone interact. energy: -0.636 local terms energy: -200.366680 where: bonds (distance) C4'-P energy: -56.638 bonds (distance) P-C4' energy: -61.342 flat angles C4'-P-C4' energy: -49.947 flat angles P-C4'-P energy: -34.583 tors. eta vs tors. theta energy: 2.143 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: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1114.649324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.649324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.649324 (E_RNA) where: Base-Base interactions energy: -748.220 where: short stacking energy: -320.627 Base-Backbone interact. energy: 0.890 local terms energy: -367.319280 where: bonds (distance) C4'-P energy: -66.512 bonds (distance) P-C4' energy: -77.485 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -94.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1067.782324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.782324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.782324 (E_RNA) where: Base-Base interactions energy: -718.186 where: short stacking energy: -342.481 Base-Backbone interact. energy: -0.778 local terms energy: -348.818553 where: bonds (distance) C4'-P energy: -56.957 bonds (distance) P-C4' energy: -63.670 flat angles C4'-P-C4' energy: -78.574 flat angles P-C4'-P energy: -53.244 tors. eta vs tors. theta energy: -96.373 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: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -981.115571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.115571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.115571 (E_RNA) where: Base-Base interactions energy: -647.084 where: short stacking energy: -283.524 Base-Backbone interact. energy: -1.042 local terms energy: -332.989043 where: bonds (distance) C4'-P energy: -67.003 bonds (distance) P-C4' energy: -65.327 flat angles C4'-P-C4' energy: -80.000 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -81.656 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: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -984.826356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.826356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.826356 (E_RNA) where: Base-Base interactions energy: -653.823 where: short stacking energy: -285.772 Base-Backbone interact. energy: -1.072 local terms energy: -329.931161 where: bonds (distance) C4'-P energy: -50.380 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -54.603 tors. eta vs tors. theta energy: -86.417 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: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -880.396822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.396822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.396822 (E_RNA) where: Base-Base interactions energy: -584.425 where: short stacking energy: -248.362 Base-Backbone interact. energy: 1.963 local terms energy: -297.935532 where: bonds (distance) C4'-P energy: -63.773 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -62.174 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: -62.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -786.575908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.575908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.575908 (E_RNA) where: Base-Base interactions energy: -488.500 where: short stacking energy: -228.557 Base-Backbone interact. energy: 0.498 local terms energy: -298.573103 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -71.526 flat angles C4'-P-C4' energy: -65.857 flat angles P-C4'-P energy: -40.102 tors. eta vs tors. theta energy: -59.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -777.127607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.127607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.127607 (E_RNA) where: Base-Base interactions energy: -503.567 where: short stacking energy: -217.784 Base-Backbone interact. energy: -1.045 local terms energy: -272.515441 where: bonds (distance) C4'-P energy: -50.273 bonds (distance) P-C4' energy: -66.204 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -43.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -525.724746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.724746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.724746 (E_RNA) where: Base-Base interactions energy: -289.360 where: short stacking energy: -156.620 Base-Backbone interact. energy: -0.712 local terms energy: -235.652898 where: bonds (distance) C4'-P energy: -44.590 bonds (distance) P-C4' energy: -63.371 flat angles C4'-P-C4' energy: -54.434 flat angles P-C4'-P energy: -46.437 tors. eta vs tors. theta energy: -26.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -442.725163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.725163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.725163 (E_RNA) where: Base-Base interactions energy: -230.648 where: short stacking energy: -140.313 Base-Backbone interact. energy: 1.004 local terms energy: -213.081229 where: bonds (distance) C4'-P energy: -57.481 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -50.687 flat angles P-C4'-P energy: -26.671 tors. eta vs tors. theta energy: -11.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -282.681828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.681828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.681828 (E_RNA) where: Base-Base interactions energy: -94.626 where: short stacking energy: -79.020 Base-Backbone interact. energy: 0.552 local terms energy: -188.607933 where: bonds (distance) C4'-P energy: -52.808 bonds (distance) P-C4' energy: -54.493 flat angles C4'-P-C4' energy: -50.634 flat angles P-C4'-P energy: -27.752 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1122.675572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.675572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.675572 (E_RNA) where: Base-Base interactions energy: -752.174 where: short stacking energy: -322.664 Base-Backbone interact. energy: 0.112 local terms energy: -370.613921 where: bonds (distance) C4'-P energy: -69.691 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -78.922 flat angles P-C4'-P energy: -56.246 tors. eta vs tors. theta energy: -96.167 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: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1079.434349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.434349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.434349 (E_RNA) where: Base-Base interactions energy: -723.123 where: short stacking energy: -345.860 Base-Backbone interact. energy: -1.595 local terms energy: -354.716701 where: bonds (distance) C4'-P energy: -66.786 bonds (distance) P-C4' energy: -66.212 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -53.278 tors. eta vs tors. theta energy: -99.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1005.670653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.670653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.670653 (E_RNA) where: Base-Base interactions energy: -661.498 where: short stacking energy: -298.596 Base-Backbone interact. energy: -0.300 local terms energy: -343.872508 where: bonds (distance) C4'-P energy: -60.495 bonds (distance) P-C4' energy: -58.520 flat angles C4'-P-C4' energy: -80.897 flat angles P-C4'-P energy: -51.810 tors. eta vs tors. theta energy: -92.151 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: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -981.591766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.591766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.591766 (E_RNA) where: Base-Base interactions energy: -653.603 where: short stacking energy: -294.280 Base-Backbone interact. energy: -1.171 local terms energy: -326.817568 where: bonds (distance) C4'-P energy: -64.982 bonds (distance) P-C4' energy: -66.624 flat angles C4'-P-C4' energy: -73.331 flat angles P-C4'-P energy: -40.901 tors. eta vs tors. theta energy: -80.980 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: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -870.232630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.232630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.232630 (E_RNA) where: Base-Base interactions energy: -558.716 where: short stacking energy: -254.736 Base-Backbone interact. energy: -0.656 local terms energy: -310.861054 where: bonds (distance) C4'-P energy: -58.512 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -74.213 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: 325 Temperature: 1.150000 Total energy: -819.900165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.900165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.900165 (E_RNA) where: Base-Base interactions energy: -525.383 where: short stacking energy: -237.525 Base-Backbone interact. energy: -0.528 local terms energy: -293.988729 where: bonds (distance) C4'-P energy: -68.705 bonds (distance) P-C4' energy: -51.838 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -45.177 tors. eta vs tors. theta energy: -59.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -772.767080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.767080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.767080 (E_RNA) where: Base-Base interactions energy: -496.652 where: short stacking energy: -226.595 Base-Backbone interact. energy: -0.799 local terms energy: -275.315756 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -65.333 flat angles C4'-P-C4' energy: -53.947 flat angles P-C4'-P energy: -38.283 tors. eta vs tors. theta energy: -56.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -544.728809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.728809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.728809 (E_RNA) where: Base-Base interactions energy: -310.838 where: short stacking energy: -151.682 Base-Backbone interact. energy: -1.415 local terms energy: -232.475773 where: bonds (distance) C4'-P energy: -51.633 bonds (distance) P-C4' energy: -68.641 flat angles C4'-P-C4' energy: -61.900 flat angles P-C4'-P energy: -22.384 tors. eta vs tors. theta energy: -27.917 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: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -425.935815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.935815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.935815 (E_RNA) where: Base-Base interactions energy: -212.096 where: short stacking energy: -123.903 Base-Backbone interact. energy: -2.788 local terms energy: -211.051385 where: bonds (distance) C4'-P energy: -42.462 bonds (distance) P-C4' energy: -57.867 flat angles C4'-P-C4' energy: -63.788 flat angles P-C4'-P energy: -33.747 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: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -309.099166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.099166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.099166 (E_RNA) where: Base-Base interactions energy: -120.571 where: short stacking energy: -86.910 Base-Backbone interact. energy: 3.647 local terms energy: -192.174609 where: bonds (distance) C4'-P energy: -45.734 bonds (distance) P-C4' energy: -66.501 flat angles C4'-P-C4' energy: -48.690 flat angles P-C4'-P energy: -40.020 tors. eta vs tors. theta energy: 8.770 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: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1135.902415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.902415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.902415 (E_RNA) where: Base-Base interactions energy: -773.189 where: short stacking energy: -328.126 Base-Backbone interact. energy: -2.961 local terms energy: -359.752383 where: bonds (distance) C4'-P energy: -64.267 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -77.855 flat angles P-C4'-P energy: -52.557 tors. eta vs tors. theta energy: -96.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1057.178583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.178583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.178583 (E_RNA) where: Base-Base interactions energy: -721.805 where: short stacking energy: -321.887 Base-Backbone interact. energy: 1.464 local terms energy: -336.838034 where: bonds (distance) C4'-P energy: -64.965 bonds (distance) P-C4' energy: -66.579 flat angles C4'-P-C4' energy: -69.826 flat angles P-C4'-P energy: -48.923 tors. eta vs tors. theta energy: -86.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1043.202987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.202987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.202987 (E_RNA) where: Base-Base interactions energy: -692.400 where: short stacking energy: -326.471 Base-Backbone interact. energy: 0.324 local terms energy: -351.127225 where: bonds (distance) C4'-P energy: -62.606 bonds (distance) P-C4' energy: -73.084 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -88.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -977.229736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.229736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.229736 (E_RNA) where: Base-Base interactions energy: -640.152 where: short stacking energy: -294.582 Base-Backbone interact. energy: -0.582 local terms energy: -336.495552 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -76.711 flat angles P-C4'-P energy: -51.171 tors. eta vs tors. theta energy: -85.488 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: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -897.686946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.686946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.686946 (E_RNA) where: Base-Base interactions energy: -583.151 where: short stacking energy: -253.257 Base-Backbone interact. energy: -2.022 local terms energy: -312.514761 where: bonds (distance) C4'-P energy: -63.915 bonds (distance) P-C4' energy: -74.494 flat angles C4'-P-C4' energy: -68.363 flat angles P-C4'-P energy: -40.922 tors. eta vs tors. theta energy: -64.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -766.905535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.905535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.905535 (E_RNA) where: Base-Base interactions energy: -487.762 where: short stacking energy: -216.071 Base-Backbone interact. energy: 3.186 local terms energy: -282.328820 where: bonds (distance) C4'-P energy: -58.718 bonds (distance) P-C4' energy: -63.483 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -53.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -735.097483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.097483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.097483 (E_RNA) where: Base-Base interactions energy: -459.103 where: short stacking energy: -215.861 Base-Backbone interact. energy: 0.620 local terms energy: -276.613940 where: bonds (distance) C4'-P energy: -57.966 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -62.783 flat angles P-C4'-P energy: -39.141 tors. eta vs tors. theta energy: -50.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -547.935463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.935463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.935463 (E_RNA) where: Base-Base interactions energy: -326.951 where: short stacking energy: -166.032 Base-Backbone interact. energy: 0.843 local terms energy: -221.827945 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -51.263 flat angles C4'-P-C4' energy: -53.927 flat angles P-C4'-P energy: -32.603 tors. eta vs tors. theta energy: -27.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -436.342776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.342776 (E_RNA) where: Base-Base interactions energy: -223.907 where: short stacking energy: -127.218 Base-Backbone interact. energy: -0.158 local terms energy: -212.277513 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -69.653 flat angles C4'-P-C4' energy: -48.268 flat angles P-C4'-P energy: -22.903 tors. eta vs tors. theta energy: -22.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -305.082185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.082185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.082185 (E_RNA) where: Base-Base interactions energy: -100.494 where: short stacking energy: -74.657 Base-Backbone interact. energy: -1.498 local terms energy: -203.090378 where: bonds (distance) C4'-P energy: -65.781 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -49.418 flat angles P-C4'-P energy: -31.165 tors. eta vs tors. theta energy: 17.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1136.925964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.925964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.925964 (E_RNA) where: Base-Base interactions energy: -779.376 where: short stacking energy: -338.967 Base-Backbone interact. energy: -0.862 local terms energy: -356.688333 where: bonds (distance) C4'-P energy: -55.394 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -81.914 flat angles P-C4'-P energy: -43.427 tors. eta vs tors. theta energy: -95.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1046.355196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.355196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.355196 (E_RNA) where: Base-Base interactions energy: -686.755 where: short stacking energy: -317.139 Base-Backbone interact. energy: -2.495 local terms energy: -357.105071 where: bonds (distance) C4'-P energy: -66.187 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -72.220 flat angles P-C4'-P energy: -56.834 tors. eta vs tors. theta energy: -86.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1026.916204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.916204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.916204 (E_RNA) where: Base-Base interactions energy: -688.226 where: short stacking energy: -306.157 Base-Backbone interact. energy: -0.475 local terms energy: -338.215617 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -70.419 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -85.690 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: 327 Temperature: 1.050000 Total energy: -991.622166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.622166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.622166 (E_RNA) where: Base-Base interactions energy: -659.864 where: short stacking energy: -303.041 Base-Backbone interact. energy: -0.316 local terms energy: -331.441715 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -55.703 flat angles C4'-P-C4' energy: -75.613 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: -91.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -918.467712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.467712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.467712 (E_RNA) where: Base-Base interactions energy: -604.551 where: short stacking energy: -258.215 Base-Backbone interact. energy: -1.234 local terms energy: -312.683553 where: bonds (distance) C4'-P energy: -58.932 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -64.995 flat angles P-C4'-P energy: -49.169 tors. eta vs tors. theta energy: -73.696 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: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -790.480956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.480956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.480956 (E_RNA) where: Base-Base interactions energy: -491.182 where: short stacking energy: -226.257 Base-Backbone interact. energy: -1.178 local terms energy: -298.120780 where: bonds (distance) C4'-P energy: -69.638 bonds (distance) P-C4' energy: -62.181 flat angles C4'-P-C4' energy: -70.424 flat angles P-C4'-P energy: -33.893 tors. eta vs tors. theta energy: -61.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -780.797819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.797819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.797819 (E_RNA) where: Base-Base interactions energy: -500.396 where: short stacking energy: -230.150 Base-Backbone interact. energy: -0.222 local terms energy: -280.179467 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -59.412 flat angles C4'-P-C4' energy: -57.405 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: -68.625 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: 327 Temperature: 1.250000 Total energy: -493.031130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.031130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.031130 (E_RNA) where: Base-Base interactions energy: -260.419 where: short stacking energy: -137.045 Base-Backbone interact. energy: 0.735 local terms energy: -233.346489 where: bonds (distance) C4'-P energy: -53.620 bonds (distance) P-C4' energy: -64.956 flat angles C4'-P-C4' energy: -52.700 flat angles P-C4'-P energy: -39.117 tors. eta vs tors. theta energy: -22.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -400.177879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.177879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.177879 (E_RNA) where: Base-Base interactions energy: -184.551 where: short stacking energy: -110.286 Base-Backbone interact. energy: -0.174 local terms energy: -215.452314 where: bonds (distance) C4'-P energy: -59.053 bonds (distance) P-C4' energy: -63.231 flat angles C4'-P-C4' energy: -47.013 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -278.511423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.511423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.511423 (E_RNA) where: Base-Base interactions energy: -92.895 where: short stacking energy: -81.749 Base-Backbone interact. energy: 1.219 local terms energy: -186.835401 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -63.371 flat angles C4'-P-C4' energy: -45.602 flat angles P-C4'-P energy: -23.567 tors. eta vs tors. theta energy: -1.178 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: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1156.182622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.182622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.182622 (E_RNA) where: Base-Base interactions energy: -792.775 where: short stacking energy: -360.525 Base-Backbone interact. energy: -2.683 local terms energy: -360.725045 where: bonds (distance) C4'-P energy: -63.312 bonds (distance) P-C4' energy: -68.689 flat angles C4'-P-C4' energy: -78.931 flat angles P-C4'-P energy: -48.160 tors. eta vs tors. theta energy: -101.633 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: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1047.219862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.219862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.219862 (E_RNA) where: Base-Base interactions energy: -697.973 where: short stacking energy: -316.685 Base-Backbone interact. energy: -0.633 local terms energy: -348.614059 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -63.858 flat angles C4'-P-C4' energy: -77.114 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -96.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1018.778425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.778425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.778425 (E_RNA) where: Base-Base interactions energy: -677.868 where: short stacking energy: -297.743 Base-Backbone interact. energy: -0.540 local terms energy: -340.370515 where: bonds (distance) C4'-P energy: -55.815 bonds (distance) P-C4' energy: -65.233 flat angles C4'-P-C4' energy: -77.927 flat angles P-C4'-P energy: -55.357 tors. eta vs tors. theta energy: -86.038 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: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -973.281502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.281502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.281502 (E_RNA) where: Base-Base interactions energy: -640.624 where: short stacking energy: -306.038 Base-Backbone interact. energy: -1.823 local terms energy: -330.834307 where: bonds (distance) C4'-P energy: -44.957 bonds (distance) P-C4' energy: -63.358 flat angles C4'-P-C4' energy: -77.888 flat angles P-C4'-P energy: -49.887 tors. eta vs tors. theta energy: -94.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -913.176991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.176991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.176991 (E_RNA) where: Base-Base interactions energy: -612.641 where: short stacking energy: -268.994 Base-Backbone interact. energy: -0.724 local terms energy: -299.811655 where: bonds (distance) C4'-P energy: -58.137 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -67.680 flat angles P-C4'-P energy: -52.051 tors. eta vs tors. theta energy: -62.981 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: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -770.082893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.082893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.082893 (E_RNA) where: Base-Base interactions energy: -491.146 where: short stacking energy: -221.712 Base-Backbone interact. energy: -0.193 local terms energy: -278.743908 where: bonds (distance) C4'-P energy: -63.171 bonds (distance) P-C4' energy: -72.663 flat angles C4'-P-C4' energy: -52.832 flat angles P-C4'-P energy: -40.262 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: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -759.467287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.467287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.467287 (E_RNA) where: Base-Base interactions energy: -481.765 where: short stacking energy: -231.754 Base-Backbone interact. energy: -0.507 local terms energy: -277.194769 where: bonds (distance) C4'-P energy: -64.974 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -72.025 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: -47.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -484.055007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.055007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.055007 (E_RNA) where: Base-Base interactions energy: -265.157 where: short stacking energy: -152.682 Base-Backbone interact. energy: -2.304 local terms energy: -216.593959 where: bonds (distance) C4'-P energy: -51.755 bonds (distance) P-C4' energy: -64.275 flat angles C4'-P-C4' energy: -56.691 flat angles P-C4'-P energy: -26.350 tors. eta vs tors. theta energy: -17.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -379.616712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.616712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.616712 (E_RNA) where: Base-Base interactions energy: -171.394 where: short stacking energy: -99.510 Base-Backbone interact. energy: 5.916 local terms energy: -214.138556 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -46.946 flat angles P-C4'-P energy: -32.757 tors. eta vs tors. theta energy: -11.865 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: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -298.268725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.268725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.268725 (E_RNA) where: Base-Base interactions energy: -105.551 where: short stacking energy: -86.954 Base-Backbone interact. energy: 2.431 local terms energy: -195.147904 where: bonds (distance) C4'-P energy: -62.918 bonds (distance) P-C4' energy: -62.056 flat angles C4'-P-C4' energy: -55.181 flat angles P-C4'-P energy: -18.914 tors. eta vs tors. theta energy: 3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1139.373344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.373344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.373344 (E_RNA) where: Base-Base interactions energy: -769.478 where: short stacking energy: -338.109 Base-Backbone interact. energy: -2.964 local terms energy: -366.930969 where: bonds (distance) C4'-P energy: -67.772 bonds (distance) P-C4' energy: -73.880 flat angles C4'-P-C4' energy: -77.877 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: -96.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1043.151150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.151150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.151150 (E_RNA) where: Base-Base interactions energy: -699.458 where: short stacking energy: -323.180 Base-Backbone interact. energy: -0.243 local terms energy: -343.449996 where: bonds (distance) C4'-P energy: -62.674 bonds (distance) P-C4' energy: -66.686 flat angles C4'-P-C4' energy: -75.217 flat angles P-C4'-P energy: -51.638 tors. eta vs tors. theta energy: -87.234 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: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1014.922398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.922398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.922398 (E_RNA) where: Base-Base interactions energy: -683.407 where: short stacking energy: -305.581 Base-Backbone interact. energy: -0.620 local terms energy: -330.895657 where: bonds (distance) C4'-P energy: -64.737 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -71.819 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -84.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -948.534461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.534461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.534461 (E_RNA) where: Base-Base interactions energy: -641.578 where: short stacking energy: -294.418 Base-Backbone interact. energy: -1.756 local terms energy: -305.200570 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -81.758 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: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -916.541923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.541923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.541923 (E_RNA) where: Base-Base interactions energy: -610.042 where: short stacking energy: -257.020 Base-Backbone interact. energy: -0.734 local terms energy: -305.766495 where: bonds (distance) C4'-P energy: -65.300 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -72.040 flat angles P-C4'-P energy: -41.337 tors. eta vs tors. theta energy: -66.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -783.601791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.601791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.601791 (E_RNA) where: Base-Base interactions energy: -482.854 where: short stacking energy: -248.257 Base-Backbone interact. energy: -0.606 local terms energy: -300.141654 where: bonds (distance) C4'-P energy: -74.589 bonds (distance) P-C4' energy: -59.556 flat angles C4'-P-C4' energy: -65.099 flat angles P-C4'-P energy: -36.478 tors. eta vs tors. theta energy: -64.421 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: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -730.136961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.136961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.136961 (E_RNA) where: Base-Base interactions energy: -468.286 where: short stacking energy: -217.576 Base-Backbone interact. energy: -1.117 local terms energy: -260.734071 where: bonds (distance) C4'-P energy: -52.260 bonds (distance) P-C4' energy: -56.592 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -36.952 tors. eta vs tors. theta energy: -50.644 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: 329 Temperature: 1.250000 Total energy: -487.610996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.610996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.610996 (E_RNA) where: Base-Base interactions energy: -280.517 where: short stacking energy: -147.454 Base-Backbone interact. energy: 1.964 local terms energy: -209.058052 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -57.397 flat angles C4'-P-C4' energy: -45.987 flat angles P-C4'-P energy: -26.744 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -369.793119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.793119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.793119 (E_RNA) where: Base-Base interactions energy: -164.363 where: short stacking energy: -84.291 Base-Backbone interact. energy: 0.354 local terms energy: -205.784806 where: bonds (distance) C4'-P energy: -53.571 bonds (distance) P-C4' energy: -71.058 flat angles C4'-P-C4' energy: -44.412 flat angles P-C4'-P energy: -45.148 tors. eta vs tors. theta energy: 8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -290.613771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.613771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.613771 (E_RNA) where: Base-Base interactions energy: -100.276 where: short stacking energy: -94.436 Base-Backbone interact. energy: 1.533 local terms energy: -191.871214 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -55.520 flat angles P-C4'-P energy: -26.925 tors. eta vs tors. theta energy: 12.361 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: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1140.466420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.466420 (E_RNA) where: Base-Base interactions energy: -762.314 where: short stacking energy: -332.731 Base-Backbone interact. energy: -1.299 local terms energy: -376.853051 where: bonds (distance) C4'-P energy: -68.380 bonds (distance) P-C4' energy: -70.288 flat angles C4'-P-C4' energy: -81.863 flat angles P-C4'-P energy: -55.539 tors. eta vs tors. theta energy: -100.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1061.858407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.858407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.858407 (E_RNA) where: Base-Base interactions energy: -715.515 where: short stacking energy: -319.531 Base-Backbone interact. energy: -0.984 local terms energy: -345.359665 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -65.872 flat angles C4'-P-C4' energy: -77.197 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -85.956 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: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1013.009622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.009622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.009622 (E_RNA) where: Base-Base interactions energy: -690.670 where: short stacking energy: -308.830 Base-Backbone interact. energy: 0.793 local terms energy: -323.131821 where: bonds (distance) C4'-P energy: -53.422 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -67.540 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: -92.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -948.163624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.163624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.163624 (E_RNA) where: Base-Base interactions energy: -619.302 where: short stacking energy: -276.563 Base-Backbone interact. energy: 0.677 local terms energy: -329.538976 where: bonds (distance) C4'-P energy: -64.657 bonds (distance) P-C4' energy: -67.152 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -78.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -910.309322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.309322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.309322 (E_RNA) where: Base-Base interactions energy: -603.699 where: short stacking energy: -260.775 Base-Backbone interact. energy: -0.264 local terms energy: -306.346221 where: bonds (distance) C4'-P energy: -65.935 bonds (distance) P-C4' energy: -60.144 flat angles C4'-P-C4' energy: -64.826 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: -67.113 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: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -792.443898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.443898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.443898 (E_RNA) where: Base-Base interactions energy: -499.674 where: short stacking energy: -227.492 Base-Backbone interact. energy: -0.410 local terms energy: -292.360549 where: bonds (distance) C4'-P energy: -56.212 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -69.415 flat angles P-C4'-P energy: -40.301 tors. eta vs tors. theta energy: -54.803 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: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -735.103772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.103772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.103772 (E_RNA) where: Base-Base interactions energy: -450.055 where: short stacking energy: -217.001 Base-Backbone interact. energy: -0.884 local terms energy: -284.164514 where: bonds (distance) C4'-P energy: -60.506 bonds (distance) P-C4' energy: -63.416 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -41.946 tors. eta vs tors. theta energy: -59.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -449.047864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.047864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.047864 (E_RNA) where: Base-Base interactions energy: -226.913 where: short stacking energy: -123.225 Base-Backbone interact. energy: -0.711 local terms energy: -221.423383 where: bonds (distance) C4'-P energy: -63.694 bonds (distance) P-C4' energy: -58.248 flat angles C4'-P-C4' energy: -59.286 flat angles P-C4'-P energy: -28.552 tors. eta vs tors. theta energy: -11.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -294.924098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.924098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.924098 (E_RNA) where: Base-Base interactions energy: -108.829 where: short stacking energy: -96.949 Base-Backbone interact. energy: 9.160 local terms energy: -195.255311 where: bonds (distance) C4'-P energy: -58.397 bonds (distance) P-C4' energy: -57.534 flat angles C4'-P-C4' energy: -50.965 flat angles P-C4'-P energy: -29.456 tors. eta vs tors. theta energy: 1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -286.415289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.415289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.415289 (E_RNA) where: Base-Base interactions energy: -95.792 where: short stacking energy: -76.362 Base-Backbone interact. energy: -1.305 local terms energy: -189.318579 where: bonds (distance) C4'-P energy: -59.530 bonds (distance) P-C4' energy: -57.810 flat angles C4'-P-C4' energy: -55.587 flat angles P-C4'-P energy: -24.691 tors. eta vs tors. theta energy: 8.300 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: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1153.266186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.266186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.266186 (E_RNA) where: Base-Base interactions energy: -779.567 where: short stacking energy: -349.077 Base-Backbone interact. energy: -3.156 local terms energy: -370.543164 where: bonds (distance) C4'-P energy: -71.386 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -83.046 flat angles P-C4'-P energy: -55.057 tors. eta vs tors. theta energy: -92.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1049.017553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.017553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.017553 (E_RNA) where: Base-Base interactions energy: -705.287 where: short stacking energy: -320.136 Base-Backbone interact. energy: -1.355 local terms energy: -342.375233 where: bonds (distance) C4'-P energy: -60.440 bonds (distance) P-C4' energy: -72.189 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -52.890 tors. eta vs tors. theta energy: -80.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1035.170100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.170100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.170100 (E_RNA) where: Base-Base interactions energy: -678.451 where: short stacking energy: -316.798 Base-Backbone interact. energy: -1.352 local terms energy: -355.367467 where: bonds (distance) C4'-P energy: -73.808 bonds (distance) P-C4' energy: -70.977 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -89.499 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: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -937.843427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.843427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.843427 (E_RNA) where: Base-Base interactions energy: -616.520 where: short stacking energy: -272.798 Base-Backbone interact. energy: -1.016 local terms energy: -320.307088 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -66.237 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -72.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -927.703399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.703399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.703399 (E_RNA) where: Base-Base interactions energy: -610.616 where: short stacking energy: -276.435 Base-Backbone interact. energy: 2.042 local terms energy: -319.130244 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -73.126 flat angles C4'-P-C4' energy: -61.915 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -85.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -769.974367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.974367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.974367 (E_RNA) where: Base-Base interactions energy: -500.557 where: short stacking energy: -231.508 Base-Backbone interact. energy: 4.067 local terms energy: -273.484598 where: bonds (distance) C4'-P energy: -56.158 bonds (distance) P-C4' energy: -66.718 flat angles C4'-P-C4' energy: -56.363 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -56.589 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: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -738.837246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.837246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.837246 (E_RNA) where: Base-Base interactions energy: -485.680 where: short stacking energy: -221.276 Base-Backbone interact. energy: -2.530 local terms energy: -250.626938 where: bonds (distance) C4'-P energy: -47.789 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -53.660 flat angles P-C4'-P energy: -38.661 tors. eta vs tors. theta energy: -53.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -501.234747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.234747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.234747 (E_RNA) where: Base-Base interactions energy: -277.523 where: short stacking energy: -140.876 Base-Backbone interact. energy: 2.303 local terms energy: -226.014744 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -62.361 flat angles C4'-P-C4' energy: -57.290 flat angles P-C4'-P energy: -32.897 tors. eta vs tors. theta energy: -17.140 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: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -334.662497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.662497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.662497 (E_RNA) where: Base-Base interactions energy: -122.978 where: short stacking energy: -93.577 Base-Backbone interact. energy: 5.741 local terms energy: -217.424855 where: bonds (distance) C4'-P energy: -68.107 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -58.265 flat angles P-C4'-P energy: -27.114 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -277.159457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.159457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.159457 (E_RNA) where: Base-Base interactions energy: -117.854 where: short stacking energy: -77.857 Base-Backbone interact. energy: 1.717 local terms energy: -161.022374 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -48.185 flat angles C4'-P-C4' energy: -52.715 flat angles P-C4'-P energy: -20.282 tors. eta vs tors. theta energy: 24.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1144.075135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.075135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.075135 (E_RNA) where: Base-Base interactions energy: -782.493 where: short stacking energy: -335.228 Base-Backbone interact. energy: -0.857 local terms energy: -360.724294 where: bonds (distance) C4'-P energy: -69.883 bonds (distance) P-C4' energy: -66.235 flat angles C4'-P-C4' energy: -81.010 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -96.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1046.694117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.694117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.694117 (E_RNA) where: Base-Base interactions energy: -694.154 where: short stacking energy: -324.050 Base-Backbone interact. energy: -1.779 local terms energy: -350.760910 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -80.905 flat angles P-C4'-P energy: -49.350 tors. eta vs tors. theta energy: -86.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1043.269478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.269478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.269478 (E_RNA) where: Base-Base interactions energy: -691.658 where: short stacking energy: -331.276 Base-Backbone interact. energy: -0.416 local terms energy: -351.194995 where: bonds (distance) C4'-P energy: -59.525 bonds (distance) P-C4' energy: -69.741 flat angles C4'-P-C4' energy: -76.510 flat angles P-C4'-P energy: -48.499 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: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -937.088968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.088968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.088968 (E_RNA) where: Base-Base interactions energy: -633.435 where: short stacking energy: -266.129 Base-Backbone interact. energy: 1.398 local terms energy: -305.052148 where: bonds (distance) C4'-P energy: -57.815 bonds (distance) P-C4' energy: -60.735 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -70.029 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: 332 Temperature: 1.100000 Total energy: -920.357099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.357099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.357099 (E_RNA) where: Base-Base interactions energy: -600.731 where: short stacking energy: -291.691 Base-Backbone interact. energy: 0.097 local terms energy: -319.723311 where: bonds (distance) C4'-P energy: -53.138 bonds (distance) P-C4' energy: -59.039 flat angles C4'-P-C4' energy: -79.850 flat angles P-C4'-P energy: -48.303 tors. eta vs tors. theta energy: -79.393 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: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -778.557429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.557429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.557429 (E_RNA) where: Base-Base interactions energy: -499.450 where: short stacking energy: -231.087 Base-Backbone interact. energy: -1.460 local terms energy: -277.646925 where: bonds (distance) C4'-P energy: -67.722 bonds (distance) P-C4' energy: -57.786 flat angles C4'-P-C4' energy: -66.832 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -41.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -676.102652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.102652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.102652 (E_RNA) where: Base-Base interactions energy: -408.602 where: short stacking energy: -207.420 Base-Backbone interact. energy: -0.456 local terms energy: -267.043757 where: bonds (distance) C4'-P energy: -60.965 bonds (distance) P-C4' energy: -59.063 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -44.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -514.774179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.774179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.774179 (E_RNA) where: Base-Base interactions energy: -292.666 where: short stacking energy: -161.542 Base-Backbone interact. energy: 1.216 local terms energy: -223.323843 where: bonds (distance) C4'-P energy: -54.368 bonds (distance) P-C4' energy: -52.088 flat angles C4'-P-C4' energy: -48.319 flat angles P-C4'-P energy: -35.908 tors. eta vs tors. theta energy: -32.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -318.955299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.955299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.955299 (E_RNA) where: Base-Base interactions energy: -121.782 where: short stacking energy: -104.395 Base-Backbone interact. energy: 0.265 local terms energy: -197.438702 where: bonds (distance) C4'-P energy: -65.237 bonds (distance) P-C4' energy: -62.061 flat angles C4'-P-C4' energy: -56.189 flat angles P-C4'-P energy: -20.910 tors. eta vs tors. theta energy: 6.960 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -281.476916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.476916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.476916 (E_RNA) where: Base-Base interactions energy: -117.025 where: short stacking energy: -101.903 Base-Backbone interact. energy: 1.823 local terms energy: -166.274318 where: bonds (distance) C4'-P energy: -46.412 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -42.038 flat angles P-C4'-P energy: -13.291 tors. eta vs tors. theta energy: 2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1122.483654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.483654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.483654 (E_RNA) where: Base-Base interactions energy: -759.796 where: short stacking energy: -322.772 Base-Backbone interact. energy: -1.307 local terms energy: -361.380693 where: bonds (distance) C4'-P energy: -72.241 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -81.739 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -95.930 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: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1044.665568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.665568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.665568 (E_RNA) where: Base-Base interactions energy: -676.115 where: short stacking energy: -312.692 Base-Backbone interact. energy: -0.750 local terms energy: -367.800697 where: bonds (distance) C4'-P energy: -74.008 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -79.330 flat angles P-C4'-P energy: -49.834 tors. eta vs tors. theta energy: -91.046 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: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1023.550411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.550411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.550411 (E_RNA) where: Base-Base interactions energy: -712.905 where: short stacking energy: -324.748 Base-Backbone interact. energy: -1.396 local terms energy: -309.249521 where: bonds (distance) C4'-P energy: -55.652 bonds (distance) P-C4' energy: -64.960 flat angles C4'-P-C4' energy: -75.544 flat angles P-C4'-P energy: -32.708 tors. eta vs tors. theta energy: -80.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -939.859880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.859880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.859880 (E_RNA) where: Base-Base interactions energy: -611.515 where: short stacking energy: -276.214 Base-Backbone interact. energy: -0.369 local terms energy: -327.975785 where: bonds (distance) C4'-P energy: -61.794 bonds (distance) P-C4' energy: -65.740 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -56.086 tors. eta vs tors. theta energy: -70.272 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: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -937.260912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.260912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.260912 (E_RNA) where: Base-Base interactions energy: -596.786 where: short stacking energy: -291.075 Base-Backbone interact. energy: -0.661 local terms energy: -339.813966 where: bonds (distance) C4'-P energy: -75.006 bonds (distance) P-C4' energy: -72.920 flat angles C4'-P-C4' energy: -67.516 flat angles P-C4'-P energy: -47.568 tors. eta vs tors. theta energy: -76.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -781.578798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.578798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.578798 (E_RNA) where: Base-Base interactions energy: -503.431 where: short stacking energy: -249.129 Base-Backbone interact. energy: -0.878 local terms energy: -277.270100 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -54.990 flat angles P-C4'-P energy: -32.426 tors. eta vs tors. theta energy: -72.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -727.496872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.496872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.496872 (E_RNA) where: Base-Base interactions energy: -445.346 where: short stacking energy: -200.751 Base-Backbone interact. energy: 0.725 local terms energy: -282.875680 where: bonds (distance) C4'-P energy: -55.356 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -71.306 flat angles P-C4'-P energy: -48.663 tors. eta vs tors. theta energy: -43.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -486.075764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.075764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.075764 (E_RNA) where: Base-Base interactions energy: -259.756 where: short stacking energy: -135.223 Base-Backbone interact. energy: -0.739 local terms energy: -225.580960 where: bonds (distance) C4'-P energy: -64.659 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -58.009 flat angles P-C4'-P energy: -28.625 tors. eta vs tors. theta energy: -15.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -301.000269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.000269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.000269 (E_RNA) where: Base-Base interactions energy: -107.242 where: short stacking energy: -94.409 Base-Backbone interact. energy: -0.319 local terms energy: -193.438925 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -69.412 flat angles C4'-P-C4' energy: -50.404 flat angles P-C4'-P energy: -32.199 tors. eta vs tors. theta energy: 17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -279.937338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.937338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.937338 (E_RNA) where: Base-Base interactions energy: -80.665 where: short stacking energy: -69.417 Base-Backbone interact. energy: 2.683 local terms energy: -201.955402 where: bonds (distance) C4'-P energy: -55.769 bonds (distance) P-C4' energy: -66.557 flat angles C4'-P-C4' energy: -50.771 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: 12.090 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: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1151.231759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.231759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.231759 (E_RNA) where: Base-Base interactions energy: -782.527 where: short stacking energy: -335.366 Base-Backbone interact. energy: -0.502 local terms energy: -368.203279 where: bonds (distance) C4'-P energy: -64.184 bonds (distance) P-C4' energy: -67.894 flat angles C4'-P-C4' energy: -83.286 flat angles P-C4'-P energy: -53.888 tors. eta vs tors. theta energy: -98.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1060.047411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.047411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.047411 (E_RNA) where: Base-Base interactions energy: -708.020 where: short stacking energy: -334.479 Base-Backbone interact. energy: -0.053 local terms energy: -351.974414 where: bonds (distance) C4'-P energy: -73.032 bonds (distance) P-C4' energy: -67.136 flat angles C4'-P-C4' energy: -69.892 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -97.239 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: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1036.288357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.288357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.288357 (E_RNA) where: Base-Base interactions energy: -703.569 where: short stacking energy: -332.766 Base-Backbone interact. energy: 2.582 local terms energy: -335.301777 where: bonds (distance) C4'-P energy: -54.667 bonds (distance) P-C4' energy: -62.594 flat angles C4'-P-C4' energy: -73.735 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -93.708 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: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -942.449799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.449799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.449799 (E_RNA) where: Base-Base interactions energy: -638.928 where: short stacking energy: -277.272 Base-Backbone interact. energy: 1.066 local terms energy: -304.587170 where: bonds (distance) C4'-P energy: -54.705 bonds (distance) P-C4' energy: -58.222 flat angles C4'-P-C4' energy: -70.291 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -74.996 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: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -910.045006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.045006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.045006 (E_RNA) where: Base-Base interactions energy: -601.458 where: short stacking energy: -282.979 Base-Backbone interact. energy: -3.381 local terms energy: -305.205699 where: bonds (distance) C4'-P energy: -56.133 bonds (distance) P-C4' energy: -54.790 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -53.402 tors. eta vs tors. theta energy: -70.455 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: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -780.629273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.629273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.629273 (E_RNA) where: Base-Base interactions energy: -490.390 where: short stacking energy: -214.238 Base-Backbone interact. energy: -0.927 local terms energy: -289.312187 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -67.604 flat angles C4'-P-C4' energy: -58.001 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -60.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -737.646896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.646896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.646896 (E_RNA) where: Base-Base interactions energy: -473.018 where: short stacking energy: -213.302 Base-Backbone interact. energy: -0.783 local terms energy: -263.845787 where: bonds (distance) C4'-P energy: -57.896 bonds (distance) P-C4' energy: -68.980 flat angles C4'-P-C4' energy: -52.485 flat angles P-C4'-P energy: -33.300 tors. eta vs tors. theta energy: -51.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -497.009821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.009821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.009821 (E_RNA) where: Base-Base interactions energy: -265.037 where: short stacking energy: -122.002 Base-Backbone interact. energy: 2.113 local terms energy: -234.085676 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -53.942 flat angles C4'-P-C4' energy: -61.789 flat angles P-C4'-P energy: -30.044 tors. eta vs tors. theta energy: -17.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -306.409398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.409398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.409398 (E_RNA) where: Base-Base interactions energy: -133.165 where: short stacking energy: -106.244 Base-Backbone interact. energy: -0.558 local terms energy: -172.686643 where: bonds (distance) C4'-P energy: -47.830 bonds (distance) P-C4' energy: -53.488 flat angles C4'-P-C4' energy: -46.759 flat angles P-C4'-P energy: -32.285 tors. eta vs tors. theta energy: 7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -295.569465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.569465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.569465 (E_RNA) where: Base-Base interactions energy: -111.391 where: short stacking energy: -95.683 Base-Backbone interact. energy: 0.887 local terms energy: -185.065621 where: bonds (distance) C4'-P energy: -59.636 bonds (distance) P-C4' energy: -64.511 flat angles C4'-P-C4' energy: -37.332 flat angles P-C4'-P energy: -28.360 tors. eta vs tors. theta energy: 4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1121.311726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.311726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.311726 (E_RNA) where: Base-Base interactions energy: -751.197 where: short stacking energy: -301.785 Base-Backbone interact. energy: -3.987 local terms energy: -366.127546 where: bonds (distance) C4'-P energy: -69.990 bonds (distance) P-C4' energy: -71.690 flat angles C4'-P-C4' energy: -77.681 flat angles P-C4'-P energy: -53.772 tors. eta vs tors. theta energy: -92.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1049.642961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.642961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.642961 (E_RNA) where: Base-Base interactions energy: -693.700 where: short stacking energy: -323.467 Base-Backbone interact. energy: -0.942 local terms energy: -355.000986 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -70.068 flat angles C4'-P-C4' energy: -81.664 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -96.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1041.715478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.715478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.715478 (E_RNA) where: Base-Base interactions energy: -704.219 where: short stacking energy: -327.761 Base-Backbone interact. energy: 0.461 local terms energy: -337.956950 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -65.876 flat angles P-C4'-P energy: -43.775 tors. eta vs tors. theta energy: -93.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -947.898536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.898536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.898536 (E_RNA) where: Base-Base interactions energy: -633.742 where: short stacking energy: -286.321 Base-Backbone interact. energy: -0.394 local terms energy: -313.763148 where: bonds (distance) C4'-P energy: -61.445 bonds (distance) P-C4' energy: -54.694 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -50.370 tors. eta vs tors. theta energy: -81.433 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: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -909.606469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.606469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.606469 (E_RNA) where: Base-Base interactions energy: -623.573 where: short stacking energy: -281.767 Base-Backbone interact. energy: 1.972 local terms energy: -288.004934 where: bonds (distance) C4'-P energy: -37.765 bonds (distance) P-C4' energy: -66.309 flat angles C4'-P-C4' energy: -65.660 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: -67.492 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: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -798.162500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.162500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.162500 (E_RNA) where: Base-Base interactions energy: -513.292 where: short stacking energy: -238.314 Base-Backbone interact. energy: 0.791 local terms energy: -285.661267 where: bonds (distance) C4'-P energy: -43.953 bonds (distance) P-C4' energy: -62.207 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -61.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -706.608250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.608250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.608250 (E_RNA) where: Base-Base interactions energy: -431.766 where: short stacking energy: -218.933 Base-Backbone interact. energy: -0.905 local terms energy: -273.937166 where: bonds (distance) C4'-P energy: -61.052 bonds (distance) P-C4' energy: -53.945 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: -58.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -548.988916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.988916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.988916 (E_RNA) where: Base-Base interactions energy: -317.748 where: short stacking energy: -158.028 Base-Backbone interact. energy: 2.219 local terms energy: -233.459296 where: bonds (distance) C4'-P energy: -51.895 bonds (distance) P-C4' energy: -55.209 flat angles C4'-P-C4' energy: -51.057 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: -31.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -322.025158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.025158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.025158 (E_RNA) where: Base-Base interactions energy: -112.147 where: short stacking energy: -74.135 Base-Backbone interact. energy: -2.326 local terms energy: -207.552111 where: bonds (distance) C4'-P energy: -58.891 bonds (distance) P-C4' energy: -67.539 flat angles C4'-P-C4' energy: -45.671 flat angles P-C4'-P energy: -33.757 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -300.851279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.851279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.851279 (E_RNA) where: Base-Base interactions energy: -125.785 where: short stacking energy: -77.541 Base-Backbone interact. energy: -1.517 local terms energy: -173.549501 where: bonds (distance) C4'-P energy: -60.321 bonds (distance) P-C4' energy: -52.113 flat angles C4'-P-C4' energy: -46.052 flat angles P-C4'-P energy: -31.693 tors. eta vs tors. theta energy: 16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1128.328488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.328488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.328488 (E_RNA) where: Base-Base interactions energy: -789.658 where: short stacking energy: -320.396 Base-Backbone interact. energy: 1.504 local terms energy: -340.174281 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -70.898 flat angles C4'-P-C4' energy: -76.441 flat angles P-C4'-P energy: -51.345 tors. eta vs tors. theta energy: -85.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1052.865889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.865889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.865889 (E_RNA) where: Base-Base interactions energy: -678.160 where: short stacking energy: -311.341 Base-Backbone interact. energy: -2.033 local terms energy: -372.672865 where: bonds (distance) C4'-P energy: -73.235 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -73.684 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -93.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1005.180141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.180141 (E_RNA) where: Base-Base interactions energy: -675.144 where: short stacking energy: -304.409 Base-Backbone interact. energy: -1.201 local terms energy: -328.834968 where: bonds (distance) C4'-P energy: -62.017 bonds (distance) P-C4' energy: -62.396 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -51.354 tors. eta vs tors. theta energy: -81.467 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: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -990.821936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.821936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.821936 (E_RNA) where: Base-Base interactions energy: -650.953 where: short stacking energy: -314.729 Base-Backbone interact. energy: -0.293 local terms energy: -339.575331 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -68.799 flat angles P-C4'-P energy: -50.808 tors. eta vs tors. theta energy: -90.709 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: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -923.866365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.866365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.866365 (E_RNA) where: Base-Base interactions energy: -615.205 where: short stacking energy: -261.754 Base-Backbone interact. energy: -1.318 local terms energy: -307.343113 where: bonds (distance) C4'-P energy: -59.548 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -63.408 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -69.352 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: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -793.351199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.351199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.351199 (E_RNA) where: Base-Base interactions energy: -501.153 where: short stacking energy: -234.462 Base-Backbone interact. energy: -1.392 local terms energy: -290.806120 where: bonds (distance) C4'-P energy: -62.180 bonds (distance) P-C4' energy: -68.178 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -36.535 tors. eta vs tors. theta energy: -57.007 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: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -705.271438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.271438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.271438 (E_RNA) where: Base-Base interactions energy: -459.527 where: short stacking energy: -222.301 Base-Backbone interact. energy: -1.647 local terms energy: -244.097233 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -50.663 flat angles C4'-P-C4' energy: -60.920 flat angles P-C4'-P energy: -27.504 tors. eta vs tors. theta energy: -49.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -539.535110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.535110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.535110 (E_RNA) where: Base-Base interactions energy: -305.077 where: short stacking energy: -153.802 Base-Backbone interact. energy: -1.013 local terms energy: -233.444889 where: bonds (distance) C4'-P energy: -46.686 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -55.252 flat angles P-C4'-P energy: -32.504 tors. eta vs tors. theta energy: -35.089 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: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -346.255381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.255381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.255381 (E_RNA) where: Base-Base interactions energy: -151.149 where: short stacking energy: -90.704 Base-Backbone interact. energy: -2.046 local terms energy: -193.060329 where: bonds (distance) C4'-P energy: -56.161 bonds (distance) P-C4' energy: -71.777 flat angles C4'-P-C4' energy: -48.903 flat angles P-C4'-P energy: -31.756 tors. eta vs tors. theta energy: 15.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -293.624064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.624064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.624064 (E_RNA) where: Base-Base interactions energy: -96.398 where: short stacking energy: -61.679 Base-Backbone interact. energy: 1.660 local terms energy: -198.885799 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -67.996 flat angles C4'-P-C4' energy: -46.491 flat angles P-C4'-P energy: -39.148 tors. eta vs tors. theta energy: 15.605 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: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1135.035020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.035020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.035020 (E_RNA) where: Base-Base interactions energy: -774.376 where: short stacking energy: -315.426 Base-Backbone interact. energy: -3.281 local terms energy: -357.377832 where: bonds (distance) C4'-P energy: -65.842 bonds (distance) P-C4' energy: -73.786 flat angles C4'-P-C4' energy: -82.248 flat angles P-C4'-P energy: -49.090 tors. eta vs tors. theta energy: -86.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1039.389781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.389781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.389781 (E_RNA) where: Base-Base interactions energy: -680.134 where: short stacking energy: -300.314 Base-Backbone interact. energy: -2.180 local terms energy: -357.075736 where: bonds (distance) C4'-P energy: -73.087 bonds (distance) P-C4' energy: -73.236 flat angles C4'-P-C4' energy: -71.372 flat angles P-C4'-P energy: -51.970 tors. eta vs tors. theta energy: -87.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1008.969699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.969699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.969699 (E_RNA) where: Base-Base interactions energy: -669.787 where: short stacking energy: -295.849 Base-Backbone interact. energy: -1.883 local terms energy: -337.298863 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -67.665 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -79.330 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -954.499016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.499016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.499016 (E_RNA) where: Base-Base interactions energy: -623.645 where: short stacking energy: -299.808 Base-Backbone interact. energy: -1.455 local terms energy: -329.399108 where: bonds (distance) C4'-P energy: -56.478 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -75.895 flat angles P-C4'-P energy: -42.177 tors. eta vs tors. theta energy: -96.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -923.032604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.032604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.032604 (E_RNA) where: Base-Base interactions energy: -608.984 where: short stacking energy: -261.974 Base-Backbone interact. energy: 0.556 local terms energy: -314.604392 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -59.452 flat angles C4'-P-C4' energy: -66.338 flat angles P-C4'-P energy: -52.066 tors. eta vs tors. theta energy: -64.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -778.865105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.865105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.865105 (E_RNA) where: Base-Base interactions energy: -512.333 where: short stacking energy: -232.451 Base-Backbone interact. energy: 1.734 local terms energy: -268.265489 where: bonds (distance) C4'-P energy: -57.710 bonds (distance) P-C4' energy: -52.057 flat angles C4'-P-C4' energy: -63.801 flat angles P-C4'-P energy: -40.963 tors. eta vs tors. theta energy: -53.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -698.225766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.225766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.225766 (E_RNA) where: Base-Base interactions energy: -418.298 where: short stacking energy: -188.143 Base-Backbone interact. energy: -2.101 local terms energy: -277.827062 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -68.777 flat angles P-C4'-P energy: -46.940 tors. eta vs tors. theta energy: -42.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -565.172691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.172691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.172691 (E_RNA) where: Base-Base interactions energy: -335.843 where: short stacking energy: -174.764 Base-Backbone interact. energy: -1.692 local terms energy: -227.637852 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -57.782 flat angles C4'-P-C4' energy: -44.943 flat angles P-C4'-P energy: -36.089 tors. eta vs tors. theta energy: -33.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -300.724445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.724445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.724445 (E_RNA) where: Base-Base interactions energy: -111.506 where: short stacking energy: -107.417 Base-Backbone interact. energy: -0.816 local terms energy: -188.401768 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -46.965 flat angles C4'-P-C4' energy: -61.551 flat angles P-C4'-P energy: -28.916 tors. eta vs tors. theta energy: 7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -288.082653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.082653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.082653 (E_RNA) where: Base-Base interactions energy: -111.536 where: short stacking energy: -71.482 Base-Backbone interact. energy: 2.382 local terms energy: -178.928601 where: bonds (distance) C4'-P energy: -49.446 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -54.539 flat angles P-C4'-P energy: -35.738 tors. eta vs tors. theta energy: 16.322 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: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1146.891646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.891646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.891646 (E_RNA) where: Base-Base interactions energy: -767.632 where: short stacking energy: -328.095 Base-Backbone interact. energy: -3.357 local terms energy: -375.902234 where: bonds (distance) C4'-P energy: -72.425 bonds (distance) P-C4' energy: -72.158 flat angles C4'-P-C4' energy: -75.856 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -96.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1057.352201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.352201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.352201 (E_RNA) where: Base-Base interactions energy: -705.812 where: short stacking energy: -324.673 Base-Backbone interact. energy: 1.698 local terms energy: -353.238708 where: bonds (distance) C4'-P energy: -72.411 bonds (distance) P-C4' energy: -68.940 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -90.395 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: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1016.293195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.293195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.293195 (E_RNA) where: Base-Base interactions energy: -698.133 where: short stacking energy: -318.535 Base-Backbone interact. energy: -1.397 local terms energy: -316.762532 where: bonds (distance) C4'-P energy: -57.974 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -74.242 flat angles P-C4'-P energy: -37.718 tors. eta vs tors. theta energy: -86.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -949.527027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.527027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.527027 (E_RNA) where: Base-Base interactions energy: -634.794 where: short stacking energy: -285.120 Base-Backbone interact. energy: -0.397 local terms energy: -314.335713 where: bonds (distance) C4'-P energy: -65.034 bonds (distance) P-C4' energy: -56.380 flat angles C4'-P-C4' energy: -64.701 flat angles P-C4'-P energy: -43.624 tors. eta vs tors. theta energy: -84.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -926.265509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.265509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.265509 (E_RNA) where: Base-Base interactions energy: -619.672 where: short stacking energy: -269.559 Base-Backbone interact. energy: -0.962 local terms energy: -305.631660 where: bonds (distance) C4'-P energy: -68.716 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -68.278 flat angles P-C4'-P energy: -37.601 tors. eta vs tors. theta energy: -71.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -812.408439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.408439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.408439 (E_RNA) where: Base-Base interactions energy: -519.940 where: short stacking energy: -231.093 Base-Backbone interact. energy: -1.730 local terms energy: -290.738898 where: bonds (distance) C4'-P energy: -60.614 bonds (distance) P-C4' energy: -64.225 flat angles C4'-P-C4' energy: -66.409 flat angles P-C4'-P energy: -33.567 tors. eta vs tors. theta energy: -65.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -665.083473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.083473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.083473 (E_RNA) where: Base-Base interactions energy: -430.350 where: short stacking energy: -199.113 Base-Backbone interact. energy: -1.881 local terms energy: -232.853176 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -58.745 flat angles C4'-P-C4' energy: -59.938 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -28.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -564.075333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.075333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.075333 (E_RNA) where: Base-Base interactions energy: -341.233 where: short stacking energy: -149.395 Base-Backbone interact. energy: -0.680 local terms energy: -222.162656 where: bonds (distance) C4'-P energy: -53.217 bonds (distance) P-C4' energy: -49.119 flat angles C4'-P-C4' energy: -51.245 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -22.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -302.392997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.392997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.392997 (E_RNA) where: Base-Base interactions energy: -98.875 where: short stacking energy: -85.699 Base-Backbone interact. energy: -1.721 local terms energy: -201.797306 where: bonds (distance) C4'-P energy: -62.664 bonds (distance) P-C4' energy: -63.543 flat angles C4'-P-C4' energy: -52.279 flat angles P-C4'-P energy: -22.752 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -280.095227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.095227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.095227 (E_RNA) where: Base-Base interactions energy: -79.803 where: short stacking energy: -66.685 Base-Backbone interact. energy: 0.074 local terms energy: -200.365703 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -55.543 flat angles C4'-P-C4' energy: -48.078 flat angles P-C4'-P energy: -27.509 tors. eta vs tors. theta energy: 1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1134.172070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.172070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.172070 (E_RNA) where: Base-Base interactions energy: -760.365 where: short stacking energy: -336.949 Base-Backbone interact. energy: -0.483 local terms energy: -373.324716 where: bonds (distance) C4'-P energy: -70.135 bonds (distance) P-C4' energy: -73.018 flat angles C4'-P-C4' energy: -79.886 flat angles P-C4'-P energy: -58.492 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: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1044.949917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.949917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.949917 (E_RNA) where: Base-Base interactions energy: -677.156 where: short stacking energy: -314.272 Base-Backbone interact. energy: -0.831 local terms energy: -366.962812 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -77.301 flat angles C4'-P-C4' energy: -74.515 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: -94.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1037.993935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.993935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.993935 (E_RNA) where: Base-Base interactions energy: -684.816 where: short stacking energy: -311.424 Base-Backbone interact. energy: -2.706 local terms energy: -350.472204 where: bonds (distance) C4'-P energy: -71.614 bonds (distance) P-C4' energy: -71.841 flat angles C4'-P-C4' energy: -70.672 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -80.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -974.094544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.094544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.094544 (E_RNA) where: Base-Base interactions energy: -656.019 where: short stacking energy: -273.708 Base-Backbone interact. energy: -1.854 local terms energy: -316.221960 where: bonds (distance) C4'-P energy: -62.284 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -75.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -921.925692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.925692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.925692 (E_RNA) where: Base-Base interactions energy: -607.486 where: short stacking energy: -280.214 Base-Backbone interact. energy: -0.927 local terms energy: -313.512524 where: bonds (distance) C4'-P energy: -52.648 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -71.364 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -77.445 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: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -761.175784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.175784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.175784 (E_RNA) where: Base-Base interactions energy: -460.988 where: short stacking energy: -225.310 Base-Backbone interact. energy: -1.187 local terms energy: -299.000859 where: bonds (distance) C4'-P energy: -69.600 bonds (distance) P-C4' energy: -61.575 flat angles C4'-P-C4' energy: -58.745 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -59.762 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: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -733.431467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.431467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.431467 (E_RNA) where: Base-Base interactions energy: -467.619 where: short stacking energy: -206.226 Base-Backbone interact. energy: 0.928 local terms energy: -266.740631 where: bonds (distance) C4'-P energy: -70.707 bonds (distance) P-C4' energy: -63.229 flat angles C4'-P-C4' energy: -59.621 flat angles P-C4'-P energy: -34.523 tors. eta vs tors. theta energy: -38.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -616.051378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.051378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.051378 (E_RNA) where: Base-Base interactions energy: -373.860 where: short stacking energy: -163.405 Base-Backbone interact. energy: 8.539 local terms energy: -250.730162 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -58.641 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: -38.687 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: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -290.423994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.423994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.423994 (E_RNA) where: Base-Base interactions energy: -86.767 where: short stacking energy: -86.216 Base-Backbone interact. energy: 2.305 local terms energy: -205.962185 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -51.423 flat angles C4'-P-C4' energy: -59.347 flat angles P-C4'-P energy: -29.946 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -285.688999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.688999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.688999 (E_RNA) where: Base-Base interactions energy: -86.218 where: short stacking energy: -74.697 Base-Backbone interact. energy: 0.346 local terms energy: -199.816986 where: bonds (distance) C4'-P energy: -52.022 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -64.812 flat angles P-C4'-P energy: -27.025 tors. eta vs tors. theta energy: 4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1139.972820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.972820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.972820 (E_RNA) where: Base-Base interactions energy: -772.443 where: short stacking energy: -342.894 Base-Backbone interact. energy: -1.716 local terms energy: -365.813946 where: bonds (distance) C4'-P energy: -76.799 bonds (distance) P-C4' energy: -76.899 flat angles C4'-P-C4' energy: -76.925 flat angles P-C4'-P energy: -45.682 tors. eta vs tors. theta energy: -89.510 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: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1032.248974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.248974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.248974 (E_RNA) where: Base-Base interactions energy: -676.637 where: short stacking energy: -312.436 Base-Backbone interact. energy: -0.280 local terms energy: -355.332385 where: bonds (distance) C4'-P energy: -62.765 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -78.297 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -91.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1018.243147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.243147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.243147 (E_RNA) where: Base-Base interactions energy: -694.548 where: short stacking energy: -314.689 Base-Backbone interact. energy: 0.452 local terms energy: -324.147111 where: bonds (distance) C4'-P energy: -62.418 bonds (distance) P-C4' energy: -59.085 flat angles C4'-P-C4' energy: -62.511 flat angles P-C4'-P energy: -52.265 tors. eta vs tors. theta energy: -87.867 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: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -962.826348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.826348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.826348 (E_RNA) where: Base-Base interactions energy: -645.270 where: short stacking energy: -285.096 Base-Backbone interact. energy: -1.443 local terms energy: -316.114176 where: bonds (distance) C4'-P energy: -53.654 bonds (distance) P-C4' energy: -68.700 flat angles C4'-P-C4' energy: -60.421 flat angles P-C4'-P energy: -56.348 tors. eta vs tors. theta energy: -76.991 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: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -898.128714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.128714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.128714 (E_RNA) where: Base-Base interactions energy: -575.067 where: short stacking energy: -282.380 Base-Backbone interact. energy: 0.593 local terms energy: -323.655442 where: bonds (distance) C4'-P energy: -74.544 bonds (distance) P-C4' energy: -66.122 flat angles C4'-P-C4' energy: -65.585 flat angles P-C4'-P energy: -41.045 tors. eta vs tors. theta energy: -76.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -794.931261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.931261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.931261 (E_RNA) where: Base-Base interactions energy: -506.469 where: short stacking energy: -223.640 Base-Backbone interact. energy: -2.177 local terms energy: -286.285355 where: bonds (distance) C4'-P energy: -68.670 bonds (distance) P-C4' energy: -56.777 flat angles C4'-P-C4' energy: -59.126 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -59.751 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: 340 Temperature: 1.200000 Total energy: -677.461897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.461897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.461897 (E_RNA) where: Base-Base interactions energy: -404.902 where: short stacking energy: -189.591 Base-Backbone interact. energy: 0.133 local terms energy: -272.693354 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -60.481 flat angles P-C4'-P energy: -42.744 tors. eta vs tors. theta energy: -43.825 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: 340 Temperature: 1.250000 Total energy: -602.325220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.325220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.325220 (E_RNA) where: Base-Base interactions energy: -365.649 where: short stacking energy: -187.177 Base-Backbone interact. energy: -0.101 local terms energy: -236.575213 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -53.724 flat angles C4'-P-C4' energy: -45.790 flat angles P-C4'-P energy: -31.200 tors. eta vs tors. theta energy: -42.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -316.231245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.231245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.231245 (E_RNA) where: Base-Base interactions energy: -108.027 where: short stacking energy: -101.725 Base-Backbone interact. energy: -1.148 local terms energy: -207.056303 where: bonds (distance) C4'-P energy: -59.605 bonds (distance) P-C4' energy: -63.886 flat angles C4'-P-C4' energy: -47.768 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: -5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -268.715887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.715887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.715887 (E_RNA) where: Base-Base interactions energy: -99.371 where: short stacking energy: -66.617 Base-Backbone interact. energy: -0.964 local terms energy: -168.381106 where: bonds (distance) C4'-P energy: -46.364 bonds (distance) P-C4' energy: -57.449 flat angles C4'-P-C4' energy: -52.872 flat angles P-C4'-P energy: -25.861 tors. eta vs tors. theta energy: 14.164 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: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1147.891925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.891925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.891925 (E_RNA) where: Base-Base interactions energy: -788.127 where: short stacking energy: -354.044 Base-Backbone interact. energy: -0.464 local terms energy: -359.301032 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -68.557 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -42.508 tors. eta vs tors. theta energy: -103.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1040.185692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.185692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.185692 (E_RNA) where: Base-Base interactions energy: -677.863 where: short stacking energy: -306.178 Base-Backbone interact. energy: 0.988 local terms energy: -363.309928 where: bonds (distance) C4'-P energy: -68.365 bonds (distance) P-C4' energy: -65.673 flat angles C4'-P-C4' energy: -81.545 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -94.079 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: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1016.379935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.379935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.379935 (E_RNA) where: Base-Base interactions energy: -677.626 where: short stacking energy: -299.821 Base-Backbone interact. energy: 0.042 local terms energy: -338.795772 where: bonds (distance) C4'-P energy: -64.542 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -48.369 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: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -932.504146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.504146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.504146 (E_RNA) where: Base-Base interactions energy: -606.661 where: short stacking energy: -274.551 Base-Backbone interact. energy: -2.049 local terms energy: -323.794715 where: bonds (distance) C4'-P energy: -65.206 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -75.092 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -74.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -922.702100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.702100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.702100 (E_RNA) where: Base-Base interactions energy: -594.968 where: short stacking energy: -287.385 Base-Backbone interact. energy: -0.738 local terms energy: -326.996060 where: bonds (distance) C4'-P energy: -67.124 bonds (distance) P-C4' energy: -49.885 flat angles C4'-P-C4' energy: -74.971 flat angles P-C4'-P energy: -44.183 tors. eta vs tors. theta energy: -90.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -790.790566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.790566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.790566 (E_RNA) where: Base-Base interactions energy: -505.747 where: short stacking energy: -249.014 Base-Backbone interact. energy: -0.676 local terms energy: -284.366868 where: bonds (distance) C4'-P energy: -54.393 bonds (distance) P-C4' energy: -67.432 flat angles C4'-P-C4' energy: -54.794 flat angles P-C4'-P energy: -43.240 tors. eta vs tors. theta energy: -64.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -685.184351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.184351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.184351 (E_RNA) where: Base-Base interactions energy: -444.213 where: short stacking energy: -197.043 Base-Backbone interact. energy: 1.178 local terms energy: -242.149007 where: bonds (distance) C4'-P energy: -53.406 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -55.883 flat angles P-C4'-P energy: -22.971 tors. eta vs tors. theta energy: -43.595 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: 341 Temperature: 1.250000 Total energy: -612.867458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.867458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.867458 (E_RNA) where: Base-Base interactions energy: -370.344 where: short stacking energy: -175.344 Base-Backbone interact. energy: 1.596 local terms energy: -244.120100 where: bonds (distance) C4'-P energy: -61.333 bonds (distance) P-C4' energy: -45.773 flat angles C4'-P-C4' energy: -67.950 flat angles P-C4'-P energy: -30.341 tors. eta vs tors. theta energy: -38.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -328.745005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.745005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.745005 (E_RNA) where: Base-Base interactions energy: -149.384 where: short stacking energy: -105.188 Base-Backbone interact. energy: 0.203 local terms energy: -179.563884 where: bonds (distance) C4'-P energy: -37.608 bonds (distance) P-C4' energy: -62.976 flat angles C4'-P-C4' energy: -34.376 flat angles P-C4'-P energy: -34.182 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: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -293.622332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.622332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.622332 (E_RNA) where: Base-Base interactions energy: -113.979 where: short stacking energy: -87.856 Base-Backbone interact. energy: 0.697 local terms energy: -180.340438 where: bonds (distance) C4'-P energy: -61.323 bonds (distance) P-C4' energy: -59.409 flat angles C4'-P-C4' energy: -49.866 flat angles P-C4'-P energy: -30.723 tors. eta vs tors. theta energy: 20.982 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: 342 Temperature: 0.900000 Total energy: -1080.675199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.675199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.675199 (E_RNA) where: Base-Base interactions energy: -714.932 where: short stacking energy: -337.227 Base-Backbone interact. energy: 0.680 local terms energy: -366.422980 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -75.998 flat angles P-C4'-P energy: -51.609 tors. eta vs tors. theta energy: -88.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1100.229257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.229257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.229257 (E_RNA) where: Base-Base interactions energy: -756.131 where: short stacking energy: -335.800 Base-Backbone interact. energy: 1.054 local terms energy: -345.152537 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -69.581 flat angles C4'-P-C4' energy: -81.978 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -91.634 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: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -997.252079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.252079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.252079 (E_RNA) where: Base-Base interactions energy: -667.864 where: short stacking energy: -301.038 Base-Backbone interact. energy: 1.517 local terms energy: -330.905202 where: bonds (distance) C4'-P energy: -53.830 bonds (distance) P-C4' energy: -70.679 flat angles C4'-P-C4' energy: -76.513 flat angles P-C4'-P energy: -44.357 tors. eta vs tors. theta energy: -85.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -953.844698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.844698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.844698 (E_RNA) where: Base-Base interactions energy: -618.045 where: short stacking energy: -295.882 Base-Backbone interact. energy: -0.434 local terms energy: -335.365776 where: bonds (distance) C4'-P energy: -69.117 bonds (distance) P-C4' energy: -58.473 flat angles C4'-P-C4' energy: -63.852 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: -92.400 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: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -967.924220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.924220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.924220 (E_RNA) where: Base-Base interactions energy: -627.925 where: short stacking energy: -279.022 Base-Backbone interact. energy: -2.247 local terms energy: -337.751924 where: bonds (distance) C4'-P energy: -63.587 bonds (distance) P-C4' energy: -65.846 flat angles C4'-P-C4' energy: -80.139 flat angles P-C4'-P energy: -49.880 tors. eta vs tors. theta energy: -78.300 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: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -843.121245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.121245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.121245 (E_RNA) where: Base-Base interactions energy: -533.274 where: short stacking energy: -252.257 Base-Backbone interact. energy: -1.321 local terms energy: -308.525849 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -73.028 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -64.163 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: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -699.733929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.733929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.733929 (E_RNA) where: Base-Base interactions energy: -437.946 where: short stacking energy: -204.277 Base-Backbone interact. energy: -1.817 local terms energy: -259.970466 where: bonds (distance) C4'-P energy: -50.506 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -52.975 flat angles P-C4'-P energy: -40.511 tors. eta vs tors. theta energy: -54.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -626.121474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.121474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.121474 (E_RNA) where: Base-Base interactions energy: -369.016 where: short stacking energy: -192.443 Base-Backbone interact. energy: -1.463 local terms energy: -255.642378 where: bonds (distance) C4'-P energy: -69.629 bonds (distance) P-C4' energy: -58.631 flat angles C4'-P-C4' energy: -54.841 flat angles P-C4'-P energy: -34.381 tors. eta vs tors. theta energy: -38.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -358.418633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.418633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.418633 (E_RNA) where: Base-Base interactions energy: -150.721 where: short stacking energy: -119.984 Base-Backbone interact. energy: -0.894 local terms energy: -206.803611 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -75.842 flat angles C4'-P-C4' energy: -48.888 flat angles P-C4'-P energy: -21.166 tors. eta vs tors. theta energy: -2.581 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: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -278.290389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.290389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.290389 (E_RNA) where: Base-Base interactions energy: -94.939 where: short stacking energy: -82.742 Base-Backbone interact. energy: -0.364 local terms energy: -182.986938 where: bonds (distance) C4'-P energy: -53.639 bonds (distance) P-C4' energy: -63.222 flat angles C4'-P-C4' energy: -42.210 flat angles P-C4'-P energy: -29.348 tors. eta vs tors. theta energy: 5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1092.543626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.543626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.543626 (E_RNA) where: Base-Base interactions energy: -720.962 where: short stacking energy: -333.016 Base-Backbone interact. energy: -0.865 local terms energy: -370.716699 where: bonds (distance) C4'-P energy: -73.983 bonds (distance) P-C4' energy: -77.147 flat angles C4'-P-C4' energy: -69.104 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -99.067 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: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1093.579199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.579199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.579199 (E_RNA) where: Base-Base interactions energy: -749.967 where: short stacking energy: -328.343 Base-Backbone interact. energy: 0.088 local terms energy: -343.700387 where: bonds (distance) C4'-P energy: -69.110 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -73.548 flat angles P-C4'-P energy: -41.824 tors. eta vs tors. theta energy: -90.054 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: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1032.457050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.457050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.457050 (E_RNA) where: Base-Base interactions energy: -658.419 where: short stacking energy: -312.368 Base-Backbone interact. energy: -2.140 local terms energy: -371.897814 where: bonds (distance) C4'-P energy: -73.029 bonds (distance) P-C4' energy: -77.159 flat angles C4'-P-C4' energy: -77.658 flat angles P-C4'-P energy: -47.371 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -950.995813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.995813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.995813 (E_RNA) where: Base-Base interactions energy: -612.837 where: short stacking energy: -280.862 Base-Backbone interact. energy: -0.788 local terms energy: -337.370543 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -48.406 tors. eta vs tors. theta energy: -81.574 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: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -940.971532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.971532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.971532 (E_RNA) where: Base-Base interactions energy: -619.523 where: short stacking energy: -289.979 Base-Backbone interact. energy: -0.814 local terms energy: -320.635247 where: bonds (distance) C4'-P energy: -70.156 bonds (distance) P-C4' energy: -47.939 flat angles C4'-P-C4' energy: -69.643 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -82.657 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: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -816.874106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.874106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.874106 (E_RNA) where: Base-Base interactions energy: -530.318 where: short stacking energy: -226.431 Base-Backbone interact. energy: -1.019 local terms energy: -285.536545 where: bonds (distance) C4'-P energy: -64.102 bonds (distance) P-C4' energy: -47.984 flat angles C4'-P-C4' energy: -68.341 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -62.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -744.607048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.607048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.607048 (E_RNA) where: Base-Base interactions energy: -474.887 where: short stacking energy: -229.636 Base-Backbone interact. energy: -1.143 local terms energy: -268.576269 where: bonds (distance) C4'-P energy: -49.043 bonds (distance) P-C4' energy: -58.874 flat angles C4'-P-C4' energy: -52.513 flat angles P-C4'-P energy: -45.537 tors. eta vs tors. theta energy: -62.610 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: 343 Temperature: 1.250000 Total energy: -638.738074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.738074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.738074 (E_RNA) where: Base-Base interactions energy: -406.046 where: short stacking energy: -178.443 Base-Backbone interact. energy: -1.551 local terms energy: -231.140880 where: bonds (distance) C4'-P energy: -47.469 bonds (distance) P-C4' energy: -65.380 flat angles C4'-P-C4' energy: -64.578 flat angles P-C4'-P energy: -23.901 tors. eta vs tors. theta energy: -29.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -337.664851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.664851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.664851 (E_RNA) where: Base-Base interactions energy: -140.818 where: short stacking energy: -103.501 Base-Backbone interact. energy: 4.005 local terms energy: -200.852098 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -57.165 flat angles C4'-P-C4' energy: -53.537 flat angles P-C4'-P energy: -28.605 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -282.229132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.229132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.229132 (E_RNA) where: Base-Base interactions energy: -104.457 where: short stacking energy: -87.731 Base-Backbone interact. energy: -0.379 local terms energy: -177.393037 where: bonds (distance) C4'-P energy: -59.422 bonds (distance) P-C4' energy: -51.870 flat angles C4'-P-C4' energy: -50.656 flat angles P-C4'-P energy: -33.699 tors. eta vs tors. theta energy: 18.255 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: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1141.057531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.057531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.057531 (E_RNA) where: Base-Base interactions energy: -782.756 where: short stacking energy: -325.114 Base-Backbone interact. energy: -3.120 local terms energy: -355.181978 where: bonds (distance) C4'-P energy: -69.208 bonds (distance) P-C4' energy: -65.560 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -78.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1055.788920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.788920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.788920 (E_RNA) where: Base-Base interactions energy: -691.857 where: short stacking energy: -307.351 Base-Backbone interact. energy: -1.142 local terms energy: -362.790261 where: bonds (distance) C4'-P energy: -72.475 bonds (distance) P-C4' energy: -73.652 flat angles C4'-P-C4' energy: -74.932 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -92.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1005.375796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.375796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.375796 (E_RNA) where: Base-Base interactions energy: -655.575 where: short stacking energy: -322.123 Base-Backbone interact. energy: -0.663 local terms energy: -349.137723 where: bonds (distance) C4'-P energy: -70.205 bonds (distance) P-C4' energy: -65.968 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -52.901 tors. eta vs tors. theta energy: -80.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -962.078431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.078431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.078431 (E_RNA) where: Base-Base interactions energy: -649.908 where: short stacking energy: -280.039 Base-Backbone interact. energy: -0.382 local terms energy: -311.788576 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -66.831 flat angles C4'-P-C4' energy: -60.765 flat angles P-C4'-P energy: -45.081 tors. eta vs tors. theta energy: -83.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -911.368680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.368680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.368680 (E_RNA) where: Base-Base interactions energy: -601.489 where: short stacking energy: -284.348 Base-Backbone interact. energy: -0.995 local terms energy: -308.884790 where: bonds (distance) C4'-P energy: -64.284 bonds (distance) P-C4' energy: -49.837 flat angles C4'-P-C4' energy: -67.766 flat angles P-C4'-P energy: -46.732 tors. eta vs tors. theta energy: -80.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -852.374210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.374210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.374210 (E_RNA) where: Base-Base interactions energy: -541.677 where: short stacking energy: -267.445 Base-Backbone interact. energy: -0.991 local terms energy: -309.706314 where: bonds (distance) C4'-P energy: -59.816 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -57.859 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: -76.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -777.891311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.891311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.891311 (E_RNA) where: Base-Base interactions energy: -479.811 where: short stacking energy: -225.668 Base-Backbone interact. energy: -0.973 local terms energy: -297.107012 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -58.513 flat angles C4'-P-C4' energy: -70.438 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -58.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -677.953198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.953198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.953198 (E_RNA) where: Base-Base interactions energy: -434.500 where: short stacking energy: -196.708 Base-Backbone interact. energy: -1.544 local terms energy: -241.909279 where: bonds (distance) C4'-P energy: -56.393 bonds (distance) P-C4' energy: -56.372 flat angles C4'-P-C4' energy: -45.894 flat angles P-C4'-P energy: -40.335 tors. eta vs tors. theta energy: -42.915 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: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -326.778101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.778101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.778101 (E_RNA) where: Base-Base interactions energy: -113.311 where: short stacking energy: -109.335 Base-Backbone interact. energy: -0.747 local terms energy: -212.720518 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -59.120 flat angles C4'-P-C4' energy: -50.114 flat angles P-C4'-P energy: -28.957 tors. eta vs tors. theta energy: -13.683 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: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -286.263207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.263207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.263207 (E_RNA) where: Base-Base interactions energy: -89.605 where: short stacking energy: -86.403 Base-Backbone interact. energy: -1.166 local terms energy: -195.492437 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -60.920 flat angles C4'-P-C4' energy: -35.486 flat angles P-C4'-P energy: -33.725 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1118.675139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.675139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.675139 (E_RNA) where: Base-Base interactions energy: -778.958 where: short stacking energy: -315.391 Base-Backbone interact. energy: 0.070 local terms energy: -339.787032 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -64.294 flat angles C4'-P-C4' energy: -81.412 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -80.021 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: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1045.370664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.370664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.370664 (E_RNA) where: Base-Base interactions energy: -701.055 where: short stacking energy: -322.983 Base-Backbone interact. energy: 0.344 local terms energy: -344.660060 where: bonds (distance) C4'-P energy: -56.962 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -77.597 flat angles P-C4'-P energy: -42.264 tors. eta vs tors. theta energy: -91.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1020.519556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.519556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.519556 (E_RNA) where: Base-Base interactions energy: -675.996 where: short stacking energy: -315.234 Base-Backbone interact. energy: -1.163 local terms energy: -343.360760 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -75.266 flat angles P-C4'-P energy: -51.357 tors. eta vs tors. theta energy: -83.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -972.894114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.894114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.894114 (E_RNA) where: Base-Base interactions energy: -634.990 where: short stacking energy: -291.077 Base-Backbone interact. energy: -0.869 local terms energy: -337.035101 where: bonds (distance) C4'-P energy: -61.157 bonds (distance) P-C4' energy: -72.093 flat angles C4'-P-C4' energy: -69.757 flat angles P-C4'-P energy: -49.274 tors. eta vs tors. theta energy: -84.755 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: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -917.805571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.805571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.805571 (E_RNA) where: Base-Base interactions energy: -611.370 where: short stacking energy: -300.054 Base-Backbone interact. energy: 7.758 local terms energy: -314.193811 where: bonds (distance) C4'-P energy: -61.058 bonds (distance) P-C4' energy: -53.153 flat angles C4'-P-C4' energy: -68.043 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -87.042 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: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -829.511732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.511732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.511732 (E_RNA) where: Base-Base interactions energy: -526.299 where: short stacking energy: -238.104 Base-Backbone interact. energy: -2.603 local terms energy: -300.608896 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -67.218 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -37.908 tors. eta vs tors. theta energy: -72.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -744.956678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.956678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.956678 (E_RNA) where: Base-Base interactions energy: -482.486 where: short stacking energy: -232.952 Base-Backbone interact. energy: -1.331 local terms energy: -261.138962 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -61.739 flat angles C4'-P-C4' energy: -61.505 flat angles P-C4'-P energy: -32.095 tors. eta vs tors. theta energy: -50.130 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: 345 Temperature: 1.250000 Total energy: -642.400597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.400597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.400597 (E_RNA) where: Base-Base interactions energy: -410.702 where: short stacking energy: -204.802 Base-Backbone interact. energy: 1.537 local terms energy: -233.235185 where: bonds (distance) C4'-P energy: -48.678 bonds (distance) P-C4' energy: -56.785 flat angles C4'-P-C4' energy: -65.689 flat angles P-C4'-P energy: -19.684 tors. eta vs tors. theta energy: -42.399 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: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -312.108870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.108870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.108870 (E_RNA) where: Base-Base interactions energy: -116.498 where: short stacking energy: -93.090 Base-Backbone interact. energy: -0.834 local terms energy: -194.776865 where: bonds (distance) C4'-P energy: -51.265 bonds (distance) P-C4' energy: -64.784 flat angles C4'-P-C4' energy: -53.268 flat angles P-C4'-P energy: -19.383 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -301.021974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.021974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.021974 (E_RNA) where: Base-Base interactions energy: -117.876 where: short stacking energy: -115.478 Base-Backbone interact. energy: 3.164 local terms energy: -186.309871 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -56.531 flat angles C4'-P-C4' energy: -40.247 flat angles P-C4'-P energy: -28.961 tors. eta vs tors. theta energy: -0.034 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: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1144.692602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.692602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.692602 (E_RNA) where: Base-Base interactions energy: -786.132 where: short stacking energy: -346.363 Base-Backbone interact. energy: -1.148 local terms energy: -357.412955 where: bonds (distance) C4'-P energy: -71.588 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -76.135 flat angles P-C4'-P energy: -50.065 tors. eta vs tors. theta energy: -97.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1044.304341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.304341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.304341 (E_RNA) where: Base-Base interactions energy: -696.048 where: short stacking energy: -312.439 Base-Backbone interact. energy: -1.473 local terms energy: -346.782471 where: bonds (distance) C4'-P energy: -65.012 bonds (distance) P-C4' energy: -73.758 flat angles C4'-P-C4' energy: -73.977 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -84.513 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: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -981.350748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.350748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.350748 (E_RNA) where: Base-Base interactions energy: -654.306 where: short stacking energy: -293.947 Base-Backbone interact. energy: -0.110 local terms energy: -326.935101 where: bonds (distance) C4'-P energy: -58.277 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -78.787 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -79.321 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: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -987.777403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.777403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.777403 (E_RNA) where: Base-Base interactions energy: -656.269 where: short stacking energy: -304.906 Base-Backbone interact. energy: -0.297 local terms energy: -331.210531 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -67.497 flat angles C4'-P-C4' energy: -70.883 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -94.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -863.319203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.319203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.319203 (E_RNA) where: Base-Base interactions energy: -550.476 where: short stacking energy: -259.286 Base-Backbone interact. energy: -0.597 local terms energy: -312.245825 where: bonds (distance) C4'-P energy: -56.670 bonds (distance) P-C4' energy: -69.284 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -36.878 tors. eta vs tors. theta energy: -77.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -921.487133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.487133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.487133 (E_RNA) where: Base-Base interactions energy: -593.718 where: short stacking energy: -270.373 Base-Backbone interact. energy: -1.130 local terms energy: -326.638882 where: bonds (distance) C4'-P energy: -57.065 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: -80.305 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: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -667.548030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.548030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.548030 (E_RNA) where: Base-Base interactions energy: -425.867 where: short stacking energy: -209.963 Base-Backbone interact. energy: -1.732 local terms energy: -239.949615 where: bonds (distance) C4'-P energy: -49.097 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -48.891 flat angles P-C4'-P energy: -29.357 tors. eta vs tors. theta energy: -48.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -705.029675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.029675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.029675 (E_RNA) where: Base-Base interactions energy: -409.672 where: short stacking energy: -187.630 Base-Backbone interact. energy: -1.689 local terms energy: -293.668873 where: bonds (distance) C4'-P energy: -74.599 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -64.225 flat angles P-C4'-P energy: -31.875 tors. eta vs tors. theta energy: -53.572 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -323.376617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.376617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.376617 (E_RNA) where: Base-Base interactions energy: -114.296 where: short stacking energy: -107.210 Base-Backbone interact. energy: 1.307 local terms energy: -210.387184 where: bonds (distance) C4'-P energy: -56.125 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -62.945 flat angles P-C4'-P energy: -26.753 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -274.010991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.010991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.010991 (E_RNA) where: Base-Base interactions energy: -96.716 where: short stacking energy: -86.925 Base-Backbone interact. energy: 0.865 local terms energy: -178.160235 where: bonds (distance) C4'-P energy: -46.915 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -45.225 flat angles P-C4'-P energy: -30.530 tors. eta vs tors. theta energy: 6.208 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: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1134.706528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.706528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.706528 (E_RNA) where: Base-Base interactions energy: -782.933 where: short stacking energy: -328.707 Base-Backbone interact. energy: -0.387 local terms energy: -351.386142 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -69.721 flat angles C4'-P-C4' energy: -75.218 flat angles P-C4'-P energy: -51.253 tors. eta vs tors. theta energy: -91.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1058.382795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.382795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.382795 (E_RNA) where: Base-Base interactions energy: -719.432 where: short stacking energy: -323.170 Base-Backbone interact. energy: 0.803 local terms energy: -339.754166 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -71.148 flat angles C4'-P-C4' energy: -62.586 flat angles P-C4'-P energy: -53.282 tors. eta vs tors. theta energy: -89.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -968.990333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.990333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.990333 (E_RNA) where: Base-Base interactions energy: -632.439 where: short stacking energy: -284.091 Base-Backbone interact. energy: -0.728 local terms energy: -335.823070 where: bonds (distance) C4'-P energy: -69.231 bonds (distance) P-C4' energy: -69.583 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -42.746 tors. eta vs tors. theta energy: -76.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -987.125116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.125116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.125116 (E_RNA) where: Base-Base interactions energy: -656.301 where: short stacking energy: -282.731 Base-Backbone interact. energy: -0.597 local terms energy: -330.226650 where: bonds (distance) C4'-P energy: -72.859 bonds (distance) P-C4' energy: -74.181 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -37.549 tors. eta vs tors. theta energy: -79.838 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: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -874.286888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.286888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.286888 (E_RNA) where: Base-Base interactions energy: -555.912 where: short stacking energy: -277.251 Base-Backbone interact. energy: -0.900 local terms energy: -317.474846 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -73.128 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: -77.581 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: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -894.219888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.219888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.219888 (E_RNA) where: Base-Base interactions energy: -572.736 where: short stacking energy: -276.393 Base-Backbone interact. energy: -0.355 local terms energy: -321.128983 where: bonds (distance) C4'-P energy: -61.913 bonds (distance) P-C4' energy: -58.125 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -82.792 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: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -642.163895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.163895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.163895 (E_RNA) where: Base-Base interactions energy: -381.108 where: short stacking energy: -182.179 Base-Backbone interact. energy: 0.410 local terms energy: -261.465093 where: bonds (distance) C4'-P energy: -66.615 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -29.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -621.708662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.708662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.708662 (E_RNA) where: Base-Base interactions energy: -365.668 where: short stacking energy: -175.288 Base-Backbone interact. energy: -1.570 local terms energy: -254.471463 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -69.859 flat angles C4'-P-C4' energy: -53.902 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -33.504 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: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -293.919267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.919267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.919267 (E_RNA) where: Base-Base interactions energy: -88.572 where: short stacking energy: -82.767 Base-Backbone interact. energy: -1.314 local terms energy: -204.034020 where: bonds (distance) C4'-P energy: -51.897 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -54.382 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: 5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -275.056666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.056666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.056666 (E_RNA) where: Base-Base interactions energy: -113.620 where: short stacking energy: -106.367 Base-Backbone interact. energy: 6.881 local terms energy: -168.318395 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -58.012 flat angles C4'-P-C4' energy: -53.953 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: 6.795 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: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1130.897090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.897090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.897090 (E_RNA) where: Base-Base interactions energy: -772.073 where: short stacking energy: -329.765 Base-Backbone interact. energy: 1.810 local terms energy: -360.634135 where: bonds (distance) C4'-P energy: -71.994 bonds (distance) P-C4' energy: -71.265 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: -93.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1056.036989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.036989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.036989 (E_RNA) where: Base-Base interactions energy: -703.402 where: short stacking energy: -327.571 Base-Backbone interact. energy: -2.596 local terms energy: -350.038467 where: bonds (distance) C4'-P energy: -52.556 bonds (distance) P-C4' energy: -74.410 flat angles C4'-P-C4' energy: -82.334 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -89.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -993.172086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.172086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.172086 (E_RNA) where: Base-Base interactions energy: -652.485 where: short stacking energy: -315.071 Base-Backbone interact. energy: -1.610 local terms energy: -339.076495 where: bonds (distance) C4'-P energy: -68.502 bonds (distance) P-C4' energy: -60.229 flat angles C4'-P-C4' energy: -71.061 flat angles P-C4'-P energy: -50.410 tors. eta vs tors. theta energy: -88.873 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: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -986.556812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.556812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.556812 (E_RNA) where: Base-Base interactions energy: -646.222 where: short stacking energy: -287.470 Base-Backbone interact. energy: -0.992 local terms energy: -339.342912 where: bonds (distance) C4'-P energy: -69.564 bonds (distance) P-C4' energy: -65.083 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -53.959 tors. eta vs tors. theta energy: -77.165 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: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -929.765356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.765356 (E_RNA) where: Base-Base interactions energy: -599.208 where: short stacking energy: -283.671 Base-Backbone interact. energy: -1.259 local terms energy: -329.298036 where: bonds (distance) C4'-P energy: -48.397 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -72.876 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -90.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -853.372142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.372142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.372142 (E_RNA) where: Base-Base interactions energy: -553.842 where: short stacking energy: -268.906 Base-Backbone interact. energy: 0.714 local terms energy: -300.244023 where: bonds (distance) C4'-P energy: -44.117 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -65.853 flat angles P-C4'-P energy: -54.450 tors. eta vs tors. theta energy: -81.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -675.320894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.320894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.320894 (E_RNA) where: Base-Base interactions energy: -421.042 where: short stacking energy: -198.995 Base-Backbone interact. energy: -1.683 local terms energy: -252.595238 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -52.935 flat angles P-C4'-P energy: -36.768 tors. eta vs tors. theta energy: -39.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -590.231297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.231297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.231297 (E_RNA) where: Base-Base interactions energy: -335.026 where: short stacking energy: -176.126 Base-Backbone interact. energy: 3.248 local terms energy: -258.453764 where: bonds (distance) C4'-P energy: -44.510 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -67.069 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -40.721 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: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -325.673051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.673051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.673051 (E_RNA) where: Base-Base interactions energy: -138.850 where: short stacking energy: -92.402 Base-Backbone interact. energy: 0.252 local terms energy: -187.075080 where: bonds (distance) C4'-P energy: -52.005 bonds (distance) P-C4' energy: -63.721 flat angles C4'-P-C4' energy: -44.942 flat angles P-C4'-P energy: -29.394 tors. eta vs tors. theta energy: 2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -289.408744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.408744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.408744 (E_RNA) where: Base-Base interactions energy: -102.441 where: short stacking energy: -82.412 Base-Backbone interact. energy: 0.119 local terms energy: -187.087032 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -53.606 flat angles P-C4'-P energy: -24.233 tors. eta vs tors. theta energy: 12.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1140.697240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.697240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.697240 (E_RNA) where: Base-Base interactions energy: -779.900 where: short stacking energy: -338.653 Base-Backbone interact. energy: 0.751 local terms energy: -361.548423 where: bonds (distance) C4'-P energy: -61.748 bonds (distance) P-C4' energy: -72.635 flat angles C4'-P-C4' energy: -74.627 flat angles P-C4'-P energy: -55.700 tors. eta vs tors. theta energy: -96.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1043.344625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.344625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.344625 (E_RNA) where: Base-Base interactions energy: -686.699 where: short stacking energy: -310.994 Base-Backbone interact. energy: -0.744 local terms energy: -355.901732 where: bonds (distance) C4'-P energy: -65.490 bonds (distance) P-C4' energy: -69.657 flat angles C4'-P-C4' energy: -77.882 flat angles P-C4'-P energy: -53.084 tors. eta vs tors. theta energy: -89.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1013.425627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.425627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.425627 (E_RNA) where: Base-Base interactions energy: -663.277 where: short stacking energy: -301.060 Base-Backbone interact. energy: 1.538 local terms energy: -351.687357 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -60.083 flat angles C4'-P-C4' energy: -77.861 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -88.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -982.789103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.789103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.789103 (E_RNA) where: Base-Base interactions energy: -653.787 where: short stacking energy: -296.706 Base-Backbone interact. energy: -0.873 local terms energy: -328.129460 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -77.513 flat angles P-C4'-P energy: -52.574 tors. eta vs tors. theta energy: -67.951 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: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -963.829566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.829566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.829566 (E_RNA) where: Base-Base interactions energy: -636.368 where: short stacking energy: -305.312 Base-Backbone interact. energy: -0.481 local terms energy: -326.981217 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -70.371 flat angles P-C4'-P energy: -34.666 tors. eta vs tors. theta energy: -85.603 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: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -840.088299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.088299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.088299 (E_RNA) where: Base-Base interactions energy: -529.870 where: short stacking energy: -255.386 Base-Backbone interact. energy: -1.326 local terms energy: -308.891881 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -63.769 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -73.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -621.453798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.453798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.453798 (E_RNA) where: Base-Base interactions energy: -366.999 where: short stacking energy: -184.966 Base-Backbone interact. energy: -1.691 local terms energy: -252.764307 where: bonds (distance) C4'-P energy: -54.891 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -56.237 flat angles P-C4'-P energy: -41.848 tors. eta vs tors. theta energy: -37.221 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: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -615.329215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.329215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.329215 (E_RNA) where: Base-Base interactions energy: -351.526 where: short stacking energy: -190.657 Base-Backbone interact. energy: -1.161 local terms energy: -262.641715 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -61.934 flat angles C4'-P-C4' energy: -57.082 flat angles P-C4'-P energy: -41.336 tors. eta vs tors. theta energy: -47.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -345.678176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.678176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.678176 (E_RNA) where: Base-Base interactions energy: -165.825 where: short stacking energy: -90.828 Base-Backbone interact. energy: 0.496 local terms energy: -180.349400 where: bonds (distance) C4'-P energy: -49.335 bonds (distance) P-C4' energy: -51.721 flat angles C4'-P-C4' energy: -55.212 flat angles P-C4'-P energy: -28.328 tors. eta vs tors. theta energy: 4.246 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: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -296.055288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.055288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.055288 (E_RNA) where: Base-Base interactions energy: -110.859 where: short stacking energy: -81.507 Base-Backbone interact. energy: -1.213 local terms energy: -183.983169 where: bonds (distance) C4'-P energy: -49.932 bonds (distance) P-C4' energy: -63.548 flat angles C4'-P-C4' energy: -55.299 flat angles P-C4'-P energy: -24.368 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: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1127.752991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.752991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.752991 (E_RNA) where: Base-Base interactions energy: -770.468 where: short stacking energy: -317.585 Base-Backbone interact. energy: 1.143 local terms energy: -358.428164 where: bonds (distance) C4'-P energy: -75.521 bonds (distance) P-C4' energy: -62.333 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -91.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1038.868560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.868560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.868560 (E_RNA) where: Base-Base interactions energy: -681.027 where: short stacking energy: -319.695 Base-Backbone interact. energy: -1.934 local terms energy: -355.907343 where: bonds (distance) C4'-P energy: -66.782 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -49.816 tors. eta vs tors. theta energy: -98.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1000.403033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.403033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.403033 (E_RNA) where: Base-Base interactions energy: -645.254 where: short stacking energy: -310.560 Base-Backbone interact. energy: -0.207 local terms energy: -354.941485 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -67.617 flat angles C4'-P-C4' energy: -76.980 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -93.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -961.971280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.971280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.971280 (E_RNA) where: Base-Base interactions energy: -642.172 where: short stacking energy: -284.900 Base-Backbone interact. energy: -0.602 local terms energy: -319.197096 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -70.162 flat angles C4'-P-C4' energy: -77.640 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -71.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -959.855945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.855945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.855945 (E_RNA) where: Base-Base interactions energy: -634.096 where: short stacking energy: -301.414 Base-Backbone interact. energy: -1.210 local terms energy: -324.549240 where: bonds (distance) C4'-P energy: -55.155 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -60.590 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -95.786 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: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -873.858858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.858858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.858858 (E_RNA) where: Base-Base interactions energy: -568.839 where: short stacking energy: -247.017 Base-Backbone interact. energy: -0.605 local terms energy: -304.414585 where: bonds (distance) C4'-P energy: -68.730 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -64.670 flat angles P-C4'-P energy: -41.256 tors. eta vs tors. theta energy: -61.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -667.476266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.476266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.476266 (E_RNA) where: Base-Base interactions energy: -419.145 where: short stacking energy: -203.942 Base-Backbone interact. energy: -2.100 local terms energy: -246.230992 where: bonds (distance) C4'-P energy: -51.346 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -58.616 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: -37.977 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: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -598.679673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.679673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.679673 (E_RNA) where: Base-Base interactions energy: -377.954 where: short stacking energy: -166.553 Base-Backbone interact. energy: -0.998 local terms energy: -219.727724 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -65.930 flat angles C4'-P-C4' energy: -46.345 flat angles P-C4'-P energy: -25.918 tors. eta vs tors. theta energy: -24.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -320.533332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.533332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.533332 (E_RNA) where: Base-Base interactions energy: -118.759 where: short stacking energy: -102.123 Base-Backbone interact. energy: 0.952 local terms energy: -202.726406 where: bonds (distance) C4'-P energy: -58.456 bonds (distance) P-C4' energy: -58.728 flat angles C4'-P-C4' energy: -53.880 flat angles P-C4'-P energy: -28.455 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -301.960708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.960708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.960708 (E_RNA) where: Base-Base interactions energy: -112.242 where: short stacking energy: -95.782 Base-Backbone interact. energy: 0.985 local terms energy: -190.703467 where: bonds (distance) C4'-P energy: -67.035 bonds (distance) P-C4' energy: -44.022 flat angles C4'-P-C4' energy: -45.611 flat angles P-C4'-P energy: -38.056 tors. eta vs tors. theta energy: 4.021 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: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1124.587120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.587120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.587120 (E_RNA) where: Base-Base interactions energy: -772.582 where: short stacking energy: -317.835 Base-Backbone interact. energy: -0.482 local terms energy: -351.523367 where: bonds (distance) C4'-P energy: -68.004 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -73.032 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: -91.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1043.975650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.975650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.975650 (E_RNA) where: Base-Base interactions energy: -706.568 where: short stacking energy: -308.605 Base-Backbone interact. energy: -1.114 local terms energy: -336.293889 where: bonds (distance) C4'-P energy: -67.747 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -65.602 flat angles P-C4'-P energy: -50.786 tors. eta vs tors. theta energy: -80.468 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: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1030.081792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.081792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.081792 (E_RNA) where: Base-Base interactions energy: -672.128 where: short stacking energy: -301.418 Base-Backbone interact. energy: -3.630 local terms energy: -354.323737 where: bonds (distance) C4'-P energy: -69.260 bonds (distance) P-C4' energy: -61.562 flat angles C4'-P-C4' energy: -74.690 flat angles P-C4'-P energy: -57.627 tors. eta vs tors. theta energy: -91.185 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: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -978.164467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.164467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.164467 (E_RNA) where: Base-Base interactions energy: -632.828 where: short stacking energy: -314.736 Base-Backbone interact. energy: -2.389 local terms energy: -342.948439 where: bonds (distance) C4'-P energy: -68.294 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -71.861 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -91.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -955.122950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.122950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.122950 (E_RNA) where: Base-Base interactions energy: -636.460 where: short stacking energy: -276.133 Base-Backbone interact. energy: 0.969 local terms energy: -319.631957 where: bonds (distance) C4'-P energy: -73.656 bonds (distance) P-C4' energy: -53.795 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -68.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -881.792355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.792355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.792355 (E_RNA) where: Base-Base interactions energy: -593.156 where: short stacking energy: -261.080 Base-Backbone interact. energy: -0.469 local terms energy: -288.166769 where: bonds (distance) C4'-P energy: -53.726 bonds (distance) P-C4' energy: -67.503 flat angles C4'-P-C4' energy: -56.750 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: -67.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -660.460262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.460262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.460262 (E_RNA) where: Base-Base interactions energy: -403.694 where: short stacking energy: -198.143 Base-Backbone interact. energy: -1.876 local terms energy: -254.889703 where: bonds (distance) C4'-P energy: -36.289 bonds (distance) P-C4' energy: -59.685 flat angles C4'-P-C4' energy: -61.031 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -54.355 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: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -634.080138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.080138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.080138 (E_RNA) where: Base-Base interactions energy: -367.691 where: short stacking energy: -192.318 Base-Backbone interact. energy: 1.026 local terms energy: -267.414687 where: bonds (distance) C4'-P energy: -57.699 bonds (distance) P-C4' energy: -55.087 flat angles C4'-P-C4' energy: -64.674 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -46.342 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: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -302.431951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.431951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.431951 (E_RNA) where: Base-Base interactions energy: -106.382 where: short stacking energy: -83.587 Base-Backbone interact. energy: -0.045 local terms energy: -196.004993 where: bonds (distance) C4'-P energy: -40.578 bonds (distance) P-C4' energy: -55.418 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -14.879 tors. eta vs tors. theta energy: -12.573 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: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -314.341161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.341161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.341161 (E_RNA) where: Base-Base interactions energy: -133.410 where: short stacking energy: -86.695 Base-Backbone interact. energy: 0.804 local terms energy: -181.735855 where: bonds (distance) C4'-P energy: -41.068 bonds (distance) P-C4' energy: -65.200 flat angles C4'-P-C4' energy: -54.993 flat angles P-C4'-P energy: -30.825 tors. eta vs tors. theta energy: 10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1112.409134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.409134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.409134 (E_RNA) where: Base-Base interactions energy: -774.796 where: short stacking energy: -325.425 Base-Backbone interact. energy: 1.271 local terms energy: -338.884198 where: bonds (distance) C4'-P energy: -64.298 bonds (distance) P-C4' energy: -75.645 flat angles C4'-P-C4' energy: -69.283 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -81.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1040.537254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.537254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.537254 (E_RNA) where: Base-Base interactions energy: -689.712 where: short stacking energy: -314.628 Base-Backbone interact. energy: -1.349 local terms energy: -349.476465 where: bonds (distance) C4'-P energy: -67.055 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -93.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -988.155489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.155489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.155489 (E_RNA) where: Base-Base interactions energy: -640.844 where: short stacking energy: -309.344 Base-Backbone interact. energy: -2.754 local terms energy: -344.557054 where: bonds (distance) C4'-P energy: -69.643 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -75.780 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -82.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -982.993113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.993113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.993113 (E_RNA) where: Base-Base interactions energy: -654.609 where: short stacking energy: -297.560 Base-Backbone interact. energy: -1.855 local terms energy: -326.529717 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: -84.008 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: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -951.425197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.425197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.425197 (E_RNA) where: Base-Base interactions energy: -622.982 where: short stacking energy: -268.764 Base-Backbone interact. energy: -0.799 local terms energy: -327.644217 where: bonds (distance) C4'-P energy: -66.906 bonds (distance) P-C4' energy: -65.378 flat angles C4'-P-C4' energy: -72.901 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -81.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -849.239469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.239469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.239469 (E_RNA) where: Base-Base interactions energy: -546.602 where: short stacking energy: -259.068 Base-Backbone interact. energy: -0.479 local terms energy: -302.158078 where: bonds (distance) C4'-P energy: -58.278 bonds (distance) P-C4' energy: -71.049 flat angles C4'-P-C4' energy: -63.311 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -73.515 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: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -641.693261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.693261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.693261 (E_RNA) where: Base-Base interactions energy: -368.807 where: short stacking energy: -193.448 Base-Backbone interact. energy: 0.699 local terms energy: -273.585746 where: bonds (distance) C4'-P energy: -60.795 bonds (distance) P-C4' energy: -63.816 flat angles C4'-P-C4' energy: -63.137 flat angles P-C4'-P energy: -38.652 tors. eta vs tors. theta energy: -47.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -616.087623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.087623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.087623 (E_RNA) where: Base-Base interactions energy: -373.399 where: short stacking energy: -168.874 Base-Backbone interact. energy: -2.654 local terms energy: -240.034924 where: bonds (distance) C4'-P energy: -36.833 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -63.920 flat angles P-C4'-P energy: -35.025 tors. eta vs tors. theta energy: -33.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -333.042023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.042023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.042023 (E_RNA) where: Base-Base interactions energy: -126.702 where: short stacking energy: -86.342 Base-Backbone interact. energy: 0.677 local terms energy: -207.017085 where: bonds (distance) C4'-P energy: -61.004 bonds (distance) P-C4' energy: -64.774 flat angles C4'-P-C4' energy: -55.388 flat angles P-C4'-P energy: -28.620 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: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -294.794571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.794571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.794571 (E_RNA) where: Base-Base interactions energy: -106.600 where: short stacking energy: -83.446 Base-Backbone interact. energy: -2.551 local terms energy: -185.643124 where: bonds (distance) C4'-P energy: -49.589 bonds (distance) P-C4' energy: -49.979 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -28.086 tors. eta vs tors. theta energy: -2.371 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: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1158.147166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.147166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.147166 (E_RNA) where: Base-Base interactions energy: -783.319 where: short stacking energy: -347.846 Base-Backbone interact. energy: -2.782 local terms energy: -372.046068 where: bonds (distance) C4'-P energy: -74.036 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -82.181 flat angles P-C4'-P energy: -55.938 tors. eta vs tors. theta energy: -96.230 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: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1039.590109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.590109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.590109 (E_RNA) where: Base-Base interactions energy: -676.678 where: short stacking energy: -320.465 Base-Backbone interact. energy: -1.479 local terms energy: -361.433100 where: bonds (distance) C4'-P energy: -68.052 bonds (distance) P-C4' energy: -76.690 flat angles C4'-P-C4' energy: -77.622 flat angles P-C4'-P energy: -50.235 tors. eta vs tors. theta energy: -88.835 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: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1041.356030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.356030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.356030 (E_RNA) where: Base-Base interactions energy: -669.793 where: short stacking energy: -324.410 Base-Backbone interact. energy: -1.386 local terms energy: -370.177319 where: bonds (distance) C4'-P energy: -69.807 bonds (distance) P-C4' energy: -78.955 flat angles C4'-P-C4' energy: -78.783 flat angles P-C4'-P energy: -50.730 tors. eta vs tors. theta energy: -91.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -941.812959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.812959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.812959 (E_RNA) where: Base-Base interactions energy: -632.938 where: short stacking energy: -287.043 Base-Backbone interact. energy: -0.866 local terms energy: -308.009323 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -64.931 flat angles C4'-P-C4' energy: -60.547 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -75.891 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: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -929.928627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.928627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.928627 (E_RNA) where: Base-Base interactions energy: -587.467 where: short stacking energy: -266.137 Base-Backbone interact. energy: -0.715 local terms energy: -341.746482 where: bonds (distance) C4'-P energy: -73.007 bonds (distance) P-C4' energy: -64.896 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: -75.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -864.224456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.224456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.224456 (E_RNA) where: Base-Base interactions energy: -553.522 where: short stacking energy: -265.967 Base-Backbone interact. energy: -0.152 local terms energy: -310.550143 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -56.670 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -35.847 tors. eta vs tors. theta energy: -75.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -655.492117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.492117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.492117 (E_RNA) where: Base-Base interactions energy: -398.045 where: short stacking energy: -184.675 Base-Backbone interact. energy: -0.981 local terms energy: -256.465906 where: bonds (distance) C4'-P energy: -58.064 bonds (distance) P-C4' energy: -67.649 flat angles C4'-P-C4' energy: -60.494 flat angles P-C4'-P energy: -38.151 tors. eta vs tors. theta energy: -32.109 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: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -649.866490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.866490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.866490 (E_RNA) where: Base-Base interactions energy: -419.390 where: short stacking energy: -196.163 Base-Backbone interact. energy: -0.351 local terms energy: -230.124874 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -53.638 flat angles C4'-P-C4' energy: -60.529 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: -27.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -325.063323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.063323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.063323 (E_RNA) where: Base-Base interactions energy: -102.933 where: short stacking energy: -81.501 Base-Backbone interact. energy: 0.464 local terms energy: -222.595071 where: bonds (distance) C4'-P energy: -64.781 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: 8.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -273.189406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.189406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.189406 (E_RNA) where: Base-Base interactions energy: -96.528 where: short stacking energy: -79.635 Base-Backbone interact. energy: -0.590 local terms energy: -176.071877 where: bonds (distance) C4'-P energy: -48.569 bonds (distance) P-C4' energy: -57.286 flat angles C4'-P-C4' energy: -50.806 flat angles P-C4'-P energy: -30.036 tors. eta vs tors. theta energy: 10.626 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: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1139.006771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.006771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.006771 (E_RNA) where: Base-Base interactions energy: -757.675 where: short stacking energy: -336.674 Base-Backbone interact. energy: -1.986 local terms energy: -379.345236 where: bonds (distance) C4'-P energy: -73.365 bonds (distance) P-C4' energy: -77.893 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: -103.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1047.271561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.271561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.271561 (E_RNA) where: Base-Base interactions energy: -701.913 where: short stacking energy: -315.324 Base-Backbone interact. energy: -1.356 local terms energy: -344.002794 where: bonds (distance) C4'-P energy: -61.093 bonds (distance) P-C4' energy: -66.850 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -95.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1027.461561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.461561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.461561 (E_RNA) where: Base-Base interactions energy: -699.206 where: short stacking energy: -340.581 Base-Backbone interact. energy: 2.650 local terms energy: -330.905581 where: bonds (distance) C4'-P energy: -53.038 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -74.458 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -94.663 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: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -942.395587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.395587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.395587 (E_RNA) where: Base-Base interactions energy: -616.113 where: short stacking energy: -276.472 Base-Backbone interact. energy: -3.510 local terms energy: -322.772374 where: bonds (distance) C4'-P energy: -52.857 bonds (distance) P-C4' energy: -67.736 flat angles C4'-P-C4' energy: -68.640 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: -80.697 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: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -931.678270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.678270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.678270 (E_RNA) where: Base-Base interactions energy: -608.678 where: short stacking energy: -273.231 Base-Backbone interact. energy: -0.261 local terms energy: -322.739594 where: bonds (distance) C4'-P energy: -68.780 bonds (distance) P-C4' energy: -62.948 flat angles C4'-P-C4' energy: -72.887 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -70.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -820.789860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.789860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.789860 (E_RNA) where: Base-Base interactions energy: -527.267 where: short stacking energy: -238.949 Base-Backbone interact. energy: 1.567 local terms energy: -295.089646 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -70.639 flat angles P-C4'-P energy: -50.787 tors. eta vs tors. theta energy: -51.944 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: 354 Temperature: 1.200000 Total energy: -698.686143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.686143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.686143 (E_RNA) where: Base-Base interactions energy: -438.784 where: short stacking energy: -199.125 Base-Backbone interact. energy: 0.046 local terms energy: -259.947991 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -37.364 flat angles C4'-P-C4' energy: -70.771 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: -44.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -617.654157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.654157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.654157 (E_RNA) where: Base-Base interactions energy: -366.031 where: short stacking energy: -179.528 Base-Backbone interact. energy: -0.896 local terms energy: -250.726781 where: bonds (distance) C4'-P energy: -61.886 bonds (distance) P-C4' energy: -60.971 flat angles C4'-P-C4' energy: -61.447 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -24.790 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: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -304.875618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.875618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.875618 (E_RNA) where: Base-Base interactions energy: -119.544 where: short stacking energy: -94.044 Base-Backbone interact. energy: -0.240 local terms energy: -185.091328 where: bonds (distance) C4'-P energy: -52.711 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -45.164 flat angles P-C4'-P energy: -27.749 tors. eta vs tors. theta energy: 0.111 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: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -273.969468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.969468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.969468 (E_RNA) where: Base-Base interactions energy: -86.819 where: short stacking energy: -58.961 Base-Backbone interact. energy: 7.143 local terms energy: -194.293501 where: bonds (distance) C4'-P energy: -55.099 bonds (distance) P-C4' energy: -54.462 flat angles C4'-P-C4' energy: -62.322 flat angles P-C4'-P energy: -38.968 tors. eta vs tors. theta energy: 16.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1121.246407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.246407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.246407 (E_RNA) where: Base-Base interactions energy: -757.873 where: short stacking energy: -347.542 Base-Backbone interact. energy: -1.711 local terms energy: -361.661776 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -60.940 flat angles C4'-P-C4' energy: -80.526 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -94.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1028.906232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.906232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.906232 (E_RNA) where: Base-Base interactions energy: -663.388 where: short stacking energy: -292.894 Base-Backbone interact. energy: -1.424 local terms energy: -364.093884 where: bonds (distance) C4'-P energy: -62.433 bonds (distance) P-C4' energy: -76.573 flat angles C4'-P-C4' energy: -75.025 flat angles P-C4'-P energy: -61.227 tors. eta vs tors. theta energy: -88.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1002.320503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.320503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.320503 (E_RNA) where: Base-Base interactions energy: -649.845 where: short stacking energy: -301.537 Base-Backbone interact. energy: -1.063 local terms energy: -351.412899 where: bonds (distance) C4'-P energy: -75.004 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -72.390 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -94.647 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: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -971.852639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.852639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.852639 (E_RNA) where: Base-Base interactions energy: -653.347 where: short stacking energy: -319.856 Base-Backbone interact. energy: -1.111 local terms energy: -317.394595 where: bonds (distance) C4'-P energy: -65.252 bonds (distance) P-C4' energy: -54.648 flat angles C4'-P-C4' energy: -62.390 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -86.094 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: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -891.810389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.810389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.810389 (E_RNA) where: Base-Base interactions energy: -604.685 where: short stacking energy: -268.406 Base-Backbone interact. energy: -0.548 local terms energy: -286.576871 where: bonds (distance) C4'-P energy: -59.010 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -59.592 flat angles P-C4'-P energy: -33.614 tors. eta vs tors. theta energy: -75.727 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: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -819.453856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.453856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.453856 (E_RNA) where: Base-Base interactions energy: -518.705 where: short stacking energy: -244.535 Base-Backbone interact. energy: -1.271 local terms energy: -299.476913 where: bonds (distance) C4'-P energy: -61.848 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -62.304 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -65.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -704.788156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.788156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.788156 (E_RNA) where: Base-Base interactions energy: -410.275 where: short stacking energy: -220.170 Base-Backbone interact. energy: -0.269 local terms energy: -294.243702 where: bonds (distance) C4'-P energy: -54.868 bonds (distance) P-C4' energy: -62.875 flat angles C4'-P-C4' energy: -64.015 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -64.666 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: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -573.429485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.429485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.429485 (E_RNA) where: Base-Base interactions energy: -332.312 where: short stacking energy: -178.994 Base-Backbone interact. energy: -1.910 local terms energy: -239.208267 where: bonds (distance) C4'-P energy: -54.206 bonds (distance) P-C4' energy: -55.367 flat angles C4'-P-C4' energy: -55.412 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -30.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -318.741695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.741695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.741695 (E_RNA) where: Base-Base interactions energy: -105.477 where: short stacking energy: -82.344 Base-Backbone interact. energy: -1.367 local terms energy: -211.897261 where: bonds (distance) C4'-P energy: -52.285 bonds (distance) P-C4' energy: -66.867 flat angles C4'-P-C4' energy: -62.351 flat angles P-C4'-P energy: -38.810 tors. eta vs tors. theta energy: 8.416 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: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -311.895501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.895501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.895501 (E_RNA) where: Base-Base interactions energy: -125.294 where: short stacking energy: -107.095 Base-Backbone interact. energy: 0.095 local terms energy: -186.696357 where: bonds (distance) C4'-P energy: -42.531 bonds (distance) P-C4' energy: -64.405 flat angles C4'-P-C4' energy: -39.046 flat angles P-C4'-P energy: -35.777 tors. eta vs tors. theta energy: -4.938 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: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1120.329054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.329054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.329054 (E_RNA) where: Base-Base interactions energy: -753.699 where: short stacking energy: -325.686 Base-Backbone interact. energy: -3.349 local terms energy: -363.280945 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -69.511 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -94.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1014.626266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.626266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.626266 (E_RNA) where: Base-Base interactions energy: -678.365 where: short stacking energy: -297.187 Base-Backbone interact. energy: -1.089 local terms energy: -335.171863 where: bonds (distance) C4'-P energy: -67.604 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -65.651 flat angles P-C4'-P energy: -53.138 tors. eta vs tors. theta energy: -84.798 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: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -995.670576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.670576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.670576 (E_RNA) where: Base-Base interactions energy: -642.384 where: short stacking energy: -298.301 Base-Backbone interact. energy: -1.554 local terms energy: -351.732354 where: bonds (distance) C4'-P energy: -62.645 bonds (distance) P-C4' energy: -69.201 flat angles C4'-P-C4' energy: -78.352 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -89.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -973.039538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.039538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.039538 (E_RNA) where: Base-Base interactions energy: -656.406 where: short stacking energy: -310.427 Base-Backbone interact. energy: -0.461 local terms energy: -316.171796 where: bonds (distance) C4'-P energy: -56.106 bonds (distance) P-C4' energy: -50.211 flat angles C4'-P-C4' energy: -76.059 flat angles P-C4'-P energy: -43.446 tors. eta vs tors. theta energy: -90.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -910.314536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.314536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.314536 (E_RNA) where: Base-Base interactions energy: -595.458 where: short stacking energy: -271.023 Base-Backbone interact. energy: -1.337 local terms energy: -313.519465 where: bonds (distance) C4'-P energy: -59.997 bonds (distance) P-C4' energy: -59.037 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -44.103 tors. eta vs tors. theta energy: -74.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -833.869668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.869668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.869668 (E_RNA) where: Base-Base interactions energy: -538.557 where: short stacking energy: -257.216 Base-Backbone interact. energy: 1.114 local terms energy: -296.427043 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -52.336 flat angles C4'-P-C4' energy: -65.936 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: -77.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -699.921716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.921716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.921716 (E_RNA) where: Base-Base interactions energy: -422.700 where: short stacking energy: -213.862 Base-Backbone interact. energy: -0.925 local terms energy: -276.296503 where: bonds (distance) C4'-P energy: -58.185 bonds (distance) P-C4' energy: -57.444 flat angles C4'-P-C4' energy: -71.334 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: -50.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -609.232377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.232377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.232377 (E_RNA) where: Base-Base interactions energy: -349.242 where: short stacking energy: -165.736 Base-Backbone interact. energy: -0.445 local terms energy: -259.544858 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -37.456 tors. eta vs tors. theta energy: -36.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -350.511795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.511795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.511795 (E_RNA) where: Base-Base interactions energy: -153.838 where: short stacking energy: -114.730 Base-Backbone interact. energy: -1.155 local terms energy: -195.518813 where: bonds (distance) C4'-P energy: -55.847 bonds (distance) P-C4' energy: -61.237 flat angles C4'-P-C4' energy: -38.739 flat angles P-C4'-P energy: -36.202 tors. eta vs tors. theta energy: -3.494 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: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -262.326422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.326422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.326422 (E_RNA) where: Base-Base interactions energy: -111.950 where: short stacking energy: -72.869 Base-Backbone interact. energy: 0.227 local terms energy: -150.603973 where: bonds (distance) C4'-P energy: -55.015 bonds (distance) P-C4' energy: -53.686 flat angles C4'-P-C4' energy: -51.756 flat angles P-C4'-P energy: -18.513 tors. eta vs tors. theta energy: 28.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1114.039746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.039746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.039746 (E_RNA) where: Base-Base interactions energy: -764.025 where: short stacking energy: -331.086 Base-Backbone interact. energy: 0.148 local terms energy: -350.162045 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -54.835 flat angles C4'-P-C4' energy: -78.441 flat angles P-C4'-P energy: -56.399 tors. eta vs tors. theta energy: -98.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1029.659250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.659250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.659250 (E_RNA) where: Base-Base interactions energy: -700.308 where: short stacking energy: -316.991 Base-Backbone interact. energy: -0.668 local terms energy: -328.683479 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -65.566 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -91.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1016.061964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.061964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.061964 (E_RNA) where: Base-Base interactions energy: -685.298 where: short stacking energy: -318.174 Base-Backbone interact. energy: -1.361 local terms energy: -329.403203 where: bonds (distance) C4'-P energy: -57.466 bonds (distance) P-C4' energy: -65.932 flat angles C4'-P-C4' energy: -71.948 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -92.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -934.870691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.870691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.870691 (E_RNA) where: Base-Base interactions energy: -629.732 where: short stacking energy: -286.208 Base-Backbone interact. energy: -1.532 local terms energy: -303.607051 where: bonds (distance) C4'-P energy: -64.372 bonds (distance) P-C4' energy: -63.004 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -70.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -894.157255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.157255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.157255 (E_RNA) where: Base-Base interactions energy: -565.662 where: short stacking energy: -279.753 Base-Backbone interact. energy: -1.186 local terms energy: -327.308914 where: bonds (distance) C4'-P energy: -69.004 bonds (distance) P-C4' energy: -62.085 flat angles C4'-P-C4' energy: -65.974 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -80.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -806.619737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.619737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.619737 (E_RNA) where: Base-Base interactions energy: -504.537 where: short stacking energy: -241.507 Base-Backbone interact. energy: -0.963 local terms energy: -301.119706 where: bonds (distance) C4'-P energy: -69.723 bonds (distance) P-C4' energy: -63.705 flat angles C4'-P-C4' energy: -72.112 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -49.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -695.181208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.181208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.181208 (E_RNA) where: Base-Base interactions energy: -420.843 where: short stacking energy: -184.539 Base-Backbone interact. energy: -1.751 local terms energy: -272.587798 where: bonds (distance) C4'-P energy: -64.968 bonds (distance) P-C4' energy: -69.389 flat angles C4'-P-C4' energy: -55.916 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: -39.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -604.613594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.613594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.613594 (E_RNA) where: Base-Base interactions energy: -368.061 where: short stacking energy: -188.684 Base-Backbone interact. energy: -0.648 local terms energy: -235.905040 where: bonds (distance) C4'-P energy: -58.285 bonds (distance) P-C4' energy: -47.894 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -31.460 tors. eta vs tors. theta energy: -43.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -323.756457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.756457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.756457 (E_RNA) where: Base-Base interactions energy: -133.609 where: short stacking energy: -101.452 Base-Backbone interact. energy: 1.061 local terms energy: -191.207944 where: bonds (distance) C4'-P energy: -50.243 bonds (distance) P-C4' energy: -60.505 flat angles C4'-P-C4' energy: -41.224 flat angles P-C4'-P energy: -31.217 tors. eta vs tors. theta energy: -8.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -279.481500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.481500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.481500 (E_RNA) where: Base-Base interactions energy: -87.148 where: short stacking energy: -78.679 Base-Backbone interact. energy: 0.635 local terms energy: -192.968266 where: bonds (distance) C4'-P energy: -60.425 bonds (distance) P-C4' energy: -49.373 flat angles C4'-P-C4' energy: -53.096 flat angles P-C4'-P energy: -32.553 tors. eta vs tors. theta energy: 2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1140.309838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.309838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.309838 (E_RNA) where: Base-Base interactions energy: -758.496 where: short stacking energy: -323.286 Base-Backbone interact. energy: -2.359 local terms energy: -379.454408 where: bonds (distance) C4'-P energy: -78.829 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -77.460 flat angles P-C4'-P energy: -57.516 tors. eta vs tors. theta energy: -93.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1054.504094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.504094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.504094 (E_RNA) where: Base-Base interactions energy: -708.030 where: short stacking energy: -325.851 Base-Backbone interact. energy: -1.030 local terms energy: -345.444439 where: bonds (distance) C4'-P energy: -72.912 bonds (distance) P-C4' energy: -61.578 flat angles C4'-P-C4' energy: -69.653 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -94.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -989.915278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.915278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.915278 (E_RNA) where: Base-Base interactions energy: -653.472 where: short stacking energy: -279.621 Base-Backbone interact. energy: -1.088 local terms energy: -335.355341 where: bonds (distance) C4'-P energy: -71.146 bonds (distance) P-C4' energy: -71.641 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -80.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -925.324141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.324141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.324141 (E_RNA) where: Base-Base interactions energy: -616.369 where: short stacking energy: -262.202 Base-Backbone interact. energy: 0.375 local terms energy: -309.329604 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -59.973 flat angles C4'-P-C4' energy: -74.021 flat angles P-C4'-P energy: -50.478 tors. eta vs tors. theta energy: -59.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -896.941861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.941861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.941861 (E_RNA) where: Base-Base interactions energy: -595.888 where: short stacking energy: -285.513 Base-Backbone interact. energy: -1.814 local terms energy: -299.239606 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -62.346 flat angles C4'-P-C4' energy: -64.532 flat angles P-C4'-P energy: -34.603 tors. eta vs tors. theta energy: -72.073 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: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -806.390461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.390461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.390461 (E_RNA) where: Base-Base interactions energy: -511.628 where: short stacking energy: -239.024 Base-Backbone interact. energy: -1.393 local terms energy: -293.369808 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -69.689 flat angles P-C4'-P energy: -44.103 tors. eta vs tors. theta energy: -59.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -668.270174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.270174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.270174 (E_RNA) where: Base-Base interactions energy: -412.977 where: short stacking energy: -182.888 Base-Backbone interact. energy: -0.191 local terms energy: -255.101976 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -49.716 flat angles P-C4'-P energy: -35.633 tors. eta vs tors. theta energy: -37.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -494.883647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.883647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.883647 (E_RNA) where: Base-Base interactions energy: -294.724 where: short stacking energy: -154.933 Base-Backbone interact. energy: 0.476 local terms energy: -200.636397 where: bonds (distance) C4'-P energy: -46.044 bonds (distance) P-C4' energy: -53.841 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -31.678 tors. eta vs tors. theta energy: -10.174 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: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -310.154825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.154825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.154825 (E_RNA) where: Base-Base interactions energy: -112.990 where: short stacking energy: -103.644 Base-Backbone interact. energy: 1.706 local terms energy: -198.870241 where: bonds (distance) C4'-P energy: -48.182 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -56.639 flat angles P-C4'-P energy: -29.201 tors. eta vs tors. theta energy: -6.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -294.673580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.673580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.673580 (E_RNA) where: Base-Base interactions energy: -126.576 where: short stacking energy: -87.660 Base-Backbone interact. energy: -1.003 local terms energy: -167.094240 where: bonds (distance) C4'-P energy: -52.289 bonds (distance) P-C4' energy: -59.185 flat angles C4'-P-C4' energy: -36.662 flat angles P-C4'-P energy: -31.820 tors. eta vs tors. theta energy: 12.862 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: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1157.306550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.306550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.306550 (E_RNA) where: Base-Base interactions energy: -805.256 where: short stacking energy: -346.464 Base-Backbone interact. energy: -1.798 local terms energy: -350.253283 where: bonds (distance) C4'-P energy: -66.505 bonds (distance) P-C4' energy: -66.762 flat angles C4'-P-C4' energy: -77.630 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -93.966 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: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1049.214525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.214525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.214525 (E_RNA) where: Base-Base interactions energy: -698.493 where: short stacking energy: -308.897 Base-Backbone interact. energy: -0.575 local terms energy: -350.147104 where: bonds (distance) C4'-P energy: -66.292 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -82.182 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -85.016 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: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1002.086125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.086125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.086125 (E_RNA) where: Base-Base interactions energy: -675.508 where: short stacking energy: -312.986 Base-Backbone interact. energy: -0.314 local terms energy: -326.264066 where: bonds (distance) C4'-P energy: -57.123 bonds (distance) P-C4' energy: -65.268 flat angles C4'-P-C4' energy: -75.458 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -81.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -944.959089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.959089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.959089 (E_RNA) where: Base-Base interactions energy: -623.901 where: short stacking energy: -281.674 Base-Backbone interact. energy: -0.389 local terms energy: -320.668686 where: bonds (distance) C4'-P energy: -47.755 bonds (distance) P-C4' energy: -69.508 flat angles C4'-P-C4' energy: -73.072 flat angles P-C4'-P energy: -50.913 tors. eta vs tors. theta energy: -79.420 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: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -936.458509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.458509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.458509 (E_RNA) where: Base-Base interactions energy: -602.731 where: short stacking energy: -294.473 Base-Backbone interact. energy: -0.159 local terms energy: -333.568382 where: bonds (distance) C4'-P energy: -52.019 bonds (distance) P-C4' energy: -70.384 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -88.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -803.526881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.526881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.526881 (E_RNA) where: Base-Base interactions energy: -493.893 where: short stacking energy: -252.925 Base-Backbone interact. energy: -0.372 local terms energy: -309.262315 where: bonds (distance) C4'-P energy: -65.108 bonds (distance) P-C4' energy: -59.243 flat angles C4'-P-C4' energy: -73.689 flat angles P-C4'-P energy: -39.265 tors. eta vs tors. theta energy: -71.958 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: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -679.318778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.318778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.318778 (E_RNA) where: Base-Base interactions energy: -435.333 where: short stacking energy: -213.131 Base-Backbone interact. energy: -0.076 local terms energy: -243.909107 where: bonds (distance) C4'-P energy: -39.957 bonds (distance) P-C4' energy: -66.274 flat angles C4'-P-C4' energy: -61.572 flat angles P-C4'-P energy: -38.455 tors. eta vs tors. theta energy: -37.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -553.792636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.792636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.792636 (E_RNA) where: Base-Base interactions energy: -305.705 where: short stacking energy: -159.036 Base-Backbone interact. energy: 0.857 local terms energy: -248.944377 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -54.096 flat angles C4'-P-C4' energy: -58.420 flat angles P-C4'-P energy: -42.711 tors. eta vs tors. theta energy: -31.084 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -301.152226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.152226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.152226 (E_RNA) where: Base-Base interactions energy: -97.030 where: short stacking energy: -94.576 Base-Backbone interact. energy: 4.989 local terms energy: -209.111786 where: bonds (distance) C4'-P energy: -65.889 bonds (distance) P-C4' energy: -54.969 flat angles C4'-P-C4' energy: -51.959 flat angles P-C4'-P energy: -36.834 tors. eta vs tors. theta energy: 0.539 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: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -305.477130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.477130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.477130 (E_RNA) where: Base-Base interactions energy: -104.809 where: short stacking energy: -80.705 Base-Backbone interact. energy: 2.022 local terms energy: -202.689366 where: bonds (distance) C4'-P energy: -49.228 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -57.273 flat angles P-C4'-P energy: -38.667 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: 1, replica: 5 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1132.691975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.691975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.691975 (E_RNA) where: Base-Base interactions energy: -764.855 where: short stacking energy: -325.043 Base-Backbone interact. energy: 2.752 local terms energy: -370.588742 where: bonds (distance) C4'-P energy: -66.646 bonds (distance) P-C4' energy: -73.145 flat angles C4'-P-C4' energy: -82.982 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -99.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1034.962591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.962591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.962591 (E_RNA) where: Base-Base interactions energy: -704.313 where: short stacking energy: -305.209 Base-Backbone interact. energy: -0.288 local terms energy: -330.361765 where: bonds (distance) C4'-P energy: -65.214 bonds (distance) P-C4' energy: -66.416 flat angles C4'-P-C4' energy: -72.598 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -80.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -966.209005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.209005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.209005 (E_RNA) where: Base-Base interactions energy: -620.039 where: short stacking energy: -285.658 Base-Backbone interact. energy: 0.290 local terms energy: -346.460495 where: bonds (distance) C4'-P energy: -64.561 bonds (distance) P-C4' energy: -73.900 flat angles C4'-P-C4' energy: -75.661 flat angles P-C4'-P energy: -52.511 tors. eta vs tors. theta energy: -79.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -945.998248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.998248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.998248 (E_RNA) where: Base-Base interactions energy: -630.386 where: short stacking energy: -275.707 Base-Backbone interact. energy: 0.627 local terms energy: -316.238957 where: bonds (distance) C4'-P energy: -59.610 bonds (distance) P-C4' energy: -60.504 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -55.575 tors. eta vs tors. theta energy: -75.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -972.980360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.980360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.980360 (E_RNA) where: Base-Base interactions energy: -624.801 where: short stacking energy: -294.092 Base-Backbone interact. energy: -0.182 local terms energy: -347.997979 where: bonds (distance) C4'-P energy: -60.826 bonds (distance) P-C4' energy: -61.683 flat angles C4'-P-C4' energy: -76.842 flat angles P-C4'-P energy: -53.602 tors. eta vs tors. theta energy: -95.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -830.044294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.044294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.044294 (E_RNA) where: Base-Base interactions energy: -527.255 where: short stacking energy: -240.965 Base-Backbone interact. energy: -0.613 local terms energy: -302.176407 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -58.523 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -73.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -704.471005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.471005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.471005 (E_RNA) where: Base-Base interactions energy: -442.901 where: short stacking energy: -191.995 Base-Backbone interact. energy: -1.892 local terms energy: -259.678525 where: bonds (distance) C4'-P energy: -53.101 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -61.336 flat angles P-C4'-P energy: -39.734 tors. eta vs tors. theta energy: -42.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -561.470169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.470169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.470169 (E_RNA) where: Base-Base interactions energy: -349.392 where: short stacking energy: -168.282 Base-Backbone interact. energy: -1.388 local terms energy: -210.690334 where: bonds (distance) C4'-P energy: -51.783 bonds (distance) P-C4' energy: -55.440 flat angles C4'-P-C4' energy: -50.139 flat angles P-C4'-P energy: -30.044 tors. eta vs tors. theta energy: -23.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -301.859567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.859567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.859567 (E_RNA) where: Base-Base interactions energy: -119.737 where: short stacking energy: -83.494 Base-Backbone interact. energy: -2.116 local terms energy: -180.006430 where: bonds (distance) C4'-P energy: -51.611 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -45.878 flat angles P-C4'-P energy: -21.418 tors. eta vs tors. theta energy: -1.722 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -285.143226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.143226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.143226 (E_RNA) where: Base-Base interactions energy: -94.209 where: short stacking energy: -96.294 Base-Backbone interact. energy: 5.798 local terms energy: -196.732045 where: bonds (distance) C4'-P energy: -42.589 bonds (distance) P-C4' energy: -59.551 flat angles C4'-P-C4' energy: -51.988 flat angles P-C4'-P energy: -34.662 tors. eta vs tors. theta energy: -7.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1115.959069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.959069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.959069 (E_RNA) where: Base-Base interactions energy: -753.717 where: short stacking energy: -306.169 Base-Backbone interact. energy: 0.721 local terms energy: -362.962804 where: bonds (distance) C4'-P energy: -70.653 bonds (distance) P-C4' energy: -73.381 flat angles C4'-P-C4' energy: -78.083 flat angles P-C4'-P energy: -53.125 tors. eta vs tors. theta energy: -87.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1062.486625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.486625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.486625 (E_RNA) where: Base-Base interactions energy: -697.385 where: short stacking energy: -322.535 Base-Backbone interact. energy: 0.930 local terms energy: -366.031010 where: bonds (distance) C4'-P energy: -66.518 bonds (distance) P-C4' energy: -74.313 flat angles C4'-P-C4' energy: -82.262 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -99.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -989.810716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.810716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.810716 (E_RNA) where: Base-Base interactions energy: -661.884 where: short stacking energy: -296.929 Base-Backbone interact. energy: -1.980 local terms energy: -325.946829 where: bonds (distance) C4'-P energy: -61.318 bonds (distance) P-C4' energy: -67.188 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -49.873 tors. eta vs tors. theta energy: -76.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -996.240647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.240647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.240647 (E_RNA) where: Base-Base interactions energy: -652.584 where: short stacking energy: -309.459 Base-Backbone interact. energy: -0.753 local terms energy: -342.903822 where: bonds (distance) C4'-P energy: -51.802 bonds (distance) P-C4' energy: -69.766 flat angles C4'-P-C4' energy: -74.779 flat angles P-C4'-P energy: -49.904 tors. eta vs tors. theta energy: -96.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -918.029872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.029872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.029872 (E_RNA) where: Base-Base interactions energy: -614.849 where: short stacking energy: -288.049 Base-Backbone interact. energy: -0.129 local terms energy: -303.051632 where: bonds (distance) C4'-P energy: -63.949 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -64.577 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -77.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -836.896548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.896548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.896548 (E_RNA) where: Base-Base interactions energy: -554.020 where: short stacking energy: -265.431 Base-Backbone interact. energy: -1.636 local terms energy: -281.240540 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -60.035 flat angles P-C4'-P energy: -36.717 tors. eta vs tors. theta energy: -76.515 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: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -655.154143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.154143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.154143 (E_RNA) where: Base-Base interactions energy: -397.086 where: short stacking energy: -216.805 Base-Backbone interact. energy: -0.413 local terms energy: -257.654759 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -56.563 flat angles P-C4'-P energy: -27.525 tors. eta vs tors. theta energy: -49.951 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: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -576.520246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.520246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.520246 (E_RNA) where: Base-Base interactions energy: -338.442 where: short stacking energy: -164.382 Base-Backbone interact. energy: -0.371 local terms energy: -237.707163 where: bonds (distance) C4'-P energy: -71.146 bonds (distance) P-C4' energy: -44.357 flat angles C4'-P-C4' energy: -45.740 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -35.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -293.202955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.202955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.202955 (E_RNA) where: Base-Base interactions energy: -118.368 where: short stacking energy: -82.313 Base-Backbone interact. energy: -1.433 local terms energy: -173.401582 where: bonds (distance) C4'-P energy: -64.021 bonds (distance) P-C4' energy: -54.440 flat angles C4'-P-C4' energy: -45.543 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: 1.959 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: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -307.333942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.333942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.333942 (E_RNA) where: Base-Base interactions energy: -118.674 where: short stacking energy: -101.006 Base-Backbone interact. energy: 1.880 local terms energy: -190.539954 where: bonds (distance) C4'-P energy: -53.679 bonds (distance) P-C4' energy: -59.558 flat angles C4'-P-C4' energy: -54.320 flat angles P-C4'-P energy: -30.211 tors. eta vs tors. theta energy: 7.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1121.130138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.130138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.130138 (E_RNA) where: Base-Base interactions energy: -771.585 where: short stacking energy: -315.527 Base-Backbone interact. energy: -2.323 local terms energy: -347.222348 where: bonds (distance) C4'-P energy: -66.972 bonds (distance) P-C4' energy: -69.452 flat angles C4'-P-C4' energy: -72.758 flat angles P-C4'-P energy: -51.867 tors. eta vs tors. theta energy: -86.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1038.805907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.805907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.805907 (E_RNA) where: Base-Base interactions energy: -704.955 where: short stacking energy: -308.160 Base-Backbone interact. energy: 2.033 local terms energy: -335.884036 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -69.327 flat angles C4'-P-C4' energy: -68.623 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -83.557 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: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1032.413159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.413159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.413159 (E_RNA) where: Base-Base interactions energy: -683.599 where: short stacking energy: -320.321 Base-Backbone interact. energy: -1.424 local terms energy: -347.390182 where: bonds (distance) C4'-P energy: -58.184 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -70.341 flat angles P-C4'-P energy: -55.298 tors. eta vs tors. theta energy: -91.459 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: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -972.102259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.102259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.102259 (E_RNA) where: Base-Base interactions energy: -634.708 where: short stacking energy: -288.081 Base-Backbone interact. energy: -0.537 local terms energy: -336.857576 where: bonds (distance) C4'-P energy: -60.448 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -49.612 tors. eta vs tors. theta energy: -88.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -858.810115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.810115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.810115 (E_RNA) where: Base-Base interactions energy: -564.255 where: short stacking energy: -257.455 Base-Backbone interact. energy: -0.617 local terms energy: -293.938195 where: bonds (distance) C4'-P energy: -57.428 bonds (distance) P-C4' energy: -64.299 flat angles C4'-P-C4' energy: -59.999 flat angles P-C4'-P energy: -40.883 tors. eta vs tors. theta energy: -71.329 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: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -868.144786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.144786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.144786 (E_RNA) where: Base-Base interactions energy: -590.416 where: short stacking energy: -258.364 Base-Backbone interact. energy: -1.692 local terms energy: -276.036763 where: bonds (distance) C4'-P energy: -50.652 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -60.323 flat angles P-C4'-P energy: -38.812 tors. eta vs tors. theta energy: -64.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -647.782488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.782488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.782488 (E_RNA) where: Base-Base interactions energy: -378.545 where: short stacking energy: -193.814 Base-Backbone interact. energy: -0.318 local terms energy: -268.919160 where: bonds (distance) C4'-P energy: -56.167 bonds (distance) P-C4' energy: -62.792 flat angles C4'-P-C4' energy: -68.266 flat angles P-C4'-P energy: -45.641 tors. eta vs tors. theta energy: -36.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -570.222902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.222902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.222902 (E_RNA) where: Base-Base interactions energy: -324.663 where: short stacking energy: -154.191 Base-Backbone interact. energy: -2.260 local terms energy: -243.299717 where: bonds (distance) C4'-P energy: -51.973 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -58.039 flat angles P-C4'-P energy: -28.272 tors. eta vs tors. theta energy: -36.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -335.537973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.537973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.537973 (E_RNA) where: Base-Base interactions energy: -152.943 where: short stacking energy: -94.795 Base-Backbone interact. energy: 4.434 local terms energy: -187.028414 where: bonds (distance) C4'-P energy: -60.071 bonds (distance) P-C4' energy: -59.486 flat angles C4'-P-C4' energy: -45.372 flat angles P-C4'-P energy: -24.512 tors. eta vs tors. theta energy: 2.412 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: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -272.586234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.586234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.586234 (E_RNA) where: Base-Base interactions energy: -87.715 where: short stacking energy: -72.740 Base-Backbone interact. energy: -0.194 local terms energy: -184.676556 where: bonds (distance) C4'-P energy: -56.992 bonds (distance) P-C4' energy: -69.268 flat angles C4'-P-C4' energy: -53.284 flat angles P-C4'-P energy: -34.114 tors. eta vs tors. theta energy: 28.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1132.763673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.763673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.763673 (E_RNA) where: Base-Base interactions energy: -770.856 where: short stacking energy: -311.620 Base-Backbone interact. energy: -0.307 local terms energy: -361.600301 where: bonds (distance) C4'-P energy: -75.469 bonds (distance) P-C4' energy: -74.172 flat angles C4'-P-C4' energy: -74.968 flat angles P-C4'-P energy: -51.426 tors. eta vs tors. theta energy: -85.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1071.419958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.419958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.419958 (E_RNA) where: Base-Base interactions energy: -712.225 where: short stacking energy: -330.117 Base-Backbone interact. energy: -1.671 local terms energy: -357.523137 where: bonds (distance) C4'-P energy: -73.173 bonds (distance) P-C4' energy: -64.203 flat angles C4'-P-C4' energy: -78.321 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -89.427 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: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1032.332560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.332560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.332560 (E_RNA) where: Base-Base interactions energy: -688.886 where: short stacking energy: -323.763 Base-Backbone interact. energy: -0.193 local terms energy: -343.253661 where: bonds (distance) C4'-P energy: -65.023 bonds (distance) P-C4' energy: -67.763 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -83.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -962.772056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.772056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.772056 (E_RNA) where: Base-Base interactions energy: -643.142 where: short stacking energy: -296.970 Base-Backbone interact. energy: -0.785 local terms energy: -318.845518 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -64.159 flat angles C4'-P-C4' energy: -73.778 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -75.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -878.584075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.584075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.584075 (E_RNA) where: Base-Base interactions energy: -576.958 where: short stacking energy: -275.127 Base-Backbone interact. energy: -0.364 local terms energy: -301.262557 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -53.864 flat angles C4'-P-C4' energy: -57.658 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -75.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -880.104313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.104313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.104313 (E_RNA) where: Base-Base interactions energy: -564.587 where: short stacking energy: -249.255 Base-Backbone interact. energy: 2.344 local terms energy: -317.862032 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -64.980 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -45.717 tors. eta vs tors. theta energy: -74.646 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: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -649.611293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.611293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.611293 (E_RNA) where: Base-Base interactions energy: -386.300 where: short stacking energy: -195.137 Base-Backbone interact. energy: -1.327 local terms energy: -261.985002 where: bonds (distance) C4'-P energy: -46.712 bonds (distance) P-C4' energy: -70.506 flat angles C4'-P-C4' energy: -55.641 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -49.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -624.046547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.046547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.046547 (E_RNA) where: Base-Base interactions energy: -385.443 where: short stacking energy: -196.622 Base-Backbone interact. energy: 0.189 local terms energy: -238.792654 where: bonds (distance) C4'-P energy: -45.520 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -69.572 flat angles P-C4'-P energy: -30.913 tors. eta vs tors. theta energy: -32.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -311.028562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.028562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.028562 (E_RNA) where: Base-Base interactions energy: -133.044 where: short stacking energy: -101.175 Base-Backbone interact. energy: 2.263 local terms energy: -180.247697 where: bonds (distance) C4'-P energy: -53.700 bonds (distance) P-C4' energy: -53.641 flat angles C4'-P-C4' energy: -34.707 flat angles P-C4'-P energy: -37.323 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: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -277.291490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.291490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.291490 (E_RNA) where: Base-Base interactions energy: -103.659 where: short stacking energy: -79.552 Base-Backbone interact. energy: 0.761 local terms energy: -174.394063 where: bonds (distance) C4'-P energy: -54.913 bonds (distance) P-C4' energy: -51.012 flat angles C4'-P-C4' energy: -37.076 flat angles P-C4'-P energy: -39.352 tors. eta vs tors. theta energy: 7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1121.242261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.242261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.242261 (E_RNA) where: Base-Base interactions energy: -759.991 where: short stacking energy: -313.443 Base-Backbone interact. energy: 0.023 local terms energy: -361.274841 where: bonds (distance) C4'-P energy: -79.387 bonds (distance) P-C4' energy: -68.941 flat angles C4'-P-C4' energy: -77.347 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: -90.522 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: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1072.154539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.154539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.154539 (E_RNA) where: Base-Base interactions energy: -710.414 where: short stacking energy: -339.424 Base-Backbone interact. energy: -0.336 local terms energy: -361.404955 where: bonds (distance) C4'-P energy: -65.491 bonds (distance) P-C4' energy: -62.496 flat angles C4'-P-C4' energy: -79.083 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: -99.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1035.248254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.248254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.248254 (E_RNA) where: Base-Base interactions energy: -701.388 where: short stacking energy: -314.467 Base-Backbone interact. energy: -1.018 local terms energy: -332.842318 where: bonds (distance) C4'-P energy: -65.959 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -72.429 flat angles P-C4'-P energy: -39.740 tors. eta vs tors. theta energy: -88.796 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: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -948.549249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.549249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.549249 (E_RNA) where: Base-Base interactions energy: -606.103 where: short stacking energy: -264.714 Base-Backbone interact. energy: -0.873 local terms energy: -341.573602 where: bonds (distance) C4'-P energy: -71.013 bonds (distance) P-C4' energy: -74.740 flat angles C4'-P-C4' energy: -73.555 flat angles P-C4'-P energy: -47.915 tors. eta vs tors. theta energy: -74.351 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: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -926.382816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.382816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.382816 (E_RNA) where: Base-Base interactions energy: -609.710 where: short stacking energy: -261.105 Base-Backbone interact. energy: -0.102 local terms energy: -316.570329 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -73.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -857.389978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.389978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.389978 (E_RNA) where: Base-Base interactions energy: -559.262 where: short stacking energy: -264.890 Base-Backbone interact. energy: -1.435 local terms energy: -296.692925 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -65.035 flat angles C4'-P-C4' energy: -55.488 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -73.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -647.040424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.040424 (E_RNA) where: Base-Base interactions energy: -375.831 where: short stacking energy: -197.991 Base-Backbone interact. energy: 1.082 local terms energy: -272.290831 where: bonds (distance) C4'-P energy: -59.063 bonds (distance) P-C4' energy: -51.599 flat angles C4'-P-C4' energy: -61.648 flat angles P-C4'-P energy: -50.428 tors. eta vs tors. theta energy: -49.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -609.696467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.696467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.696467 (E_RNA) where: Base-Base interactions energy: -365.630 where: short stacking energy: -150.428 Base-Backbone interact. energy: 0.945 local terms energy: -245.011498 where: bonds (distance) C4'-P energy: -58.553 bonds (distance) P-C4' energy: -58.902 flat angles C4'-P-C4' energy: -57.104 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -29.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -304.913083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.913083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.913083 (E_RNA) where: Base-Base interactions energy: -109.699 where: short stacking energy: -102.330 Base-Backbone interact. energy: 1.756 local terms energy: -196.969159 where: bonds (distance) C4'-P energy: -46.925 bonds (distance) P-C4' energy: -60.565 flat angles C4'-P-C4' energy: -49.183 flat angles P-C4'-P energy: -29.882 tors. eta vs tors. theta energy: -10.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -275.521676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.521676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.521676 (E_RNA) where: Base-Base interactions energy: -108.624 where: short stacking energy: -88.938 Base-Backbone interact. energy: -0.988 local terms energy: -165.909301 where: bonds (distance) C4'-P energy: -54.947 bonds (distance) P-C4' energy: -54.994 flat angles C4'-P-C4' energy: -39.974 flat angles P-C4'-P energy: -25.824 tors. eta vs tors. theta energy: 9.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1129.442007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.442007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.442007 (E_RNA) where: Base-Base interactions energy: -773.255 where: short stacking energy: -327.658 Base-Backbone interact. energy: -1.897 local terms energy: -354.290422 where: bonds (distance) C4'-P energy: -72.904 bonds (distance) P-C4' energy: -62.913 flat angles C4'-P-C4' energy: -75.554 flat angles P-C4'-P energy: -55.059 tors. eta vs tors. theta energy: -87.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1057.119336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.119336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.119336 (E_RNA) where: Base-Base interactions energy: -704.936 where: short stacking energy: -313.216 Base-Backbone interact. energy: -0.825 local terms energy: -351.357809 where: bonds (distance) C4'-P energy: -68.018 bonds (distance) P-C4' energy: -59.784 flat angles C4'-P-C4' energy: -65.320 flat angles P-C4'-P energy: -57.044 tors. eta vs tors. theta energy: -101.192 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: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1017.280734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.280734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.280734 (E_RNA) where: Base-Base interactions energy: -672.598 where: short stacking energy: -296.400 Base-Backbone interact. energy: -1.243 local terms energy: -343.439803 where: bonds (distance) C4'-P energy: -61.065 bonds (distance) P-C4' energy: -75.808 flat angles C4'-P-C4' energy: -70.665 flat angles P-C4'-P energy: -50.879 tors. eta vs tors. theta energy: -85.024 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: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -968.411337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.411337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.411337 (E_RNA) where: Base-Base interactions energy: -659.136 where: short stacking energy: -288.549 Base-Backbone interact. energy: -0.560 local terms energy: -308.715605 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -61.879 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -34.071 tors. eta vs tors. theta energy: -80.715 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: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -917.743191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.743191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.743191 (E_RNA) where: Base-Base interactions energy: -619.035 where: short stacking energy: -279.223 Base-Backbone interact. energy: -1.306 local terms energy: -297.403068 where: bonds (distance) C4'-P energy: -60.579 bonds (distance) P-C4' energy: -66.081 flat angles C4'-P-C4' energy: -64.010 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: -65.648 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: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -830.463374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.463374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.463374 (E_RNA) where: Base-Base interactions energy: -522.978 where: short stacking energy: -254.095 Base-Backbone interact. energy: -0.139 local terms energy: -307.346774 where: bonds (distance) C4'-P energy: -64.111 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -61.992 flat angles P-C4'-P energy: -44.458 tors. eta vs tors. theta energy: -69.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -638.828294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.828294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.828294 (E_RNA) where: Base-Base interactions energy: -402.053 where: short stacking energy: -189.426 Base-Backbone interact. energy: 0.184 local terms energy: -236.959888 where: bonds (distance) C4'-P energy: -48.233 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -51.803 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: -36.139 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: 365 Temperature: 1.250000 Total energy: -558.096475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.096475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.096475 (E_RNA) where: Base-Base interactions energy: -323.609 where: short stacking energy: -155.728 Base-Backbone interact. energy: -1.903 local terms energy: -232.584835 where: bonds (distance) C4'-P energy: -63.191 bonds (distance) P-C4' energy: -43.132 flat angles C4'-P-C4' energy: -58.312 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: -30.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -313.790055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.790055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.790055 (E_RNA) where: Base-Base interactions energy: -107.390 where: short stacking energy: -90.227 Base-Backbone interact. energy: -0.740 local terms energy: -205.659710 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -68.907 flat angles C4'-P-C4' energy: -44.536 flat angles P-C4'-P energy: -38.294 tors. eta vs tors. theta energy: 5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -265.797162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.797162 (E_RNA) where: Base-Base interactions energy: -79.047 where: short stacking energy: -69.158 Base-Backbone interact. energy: 0.500 local terms energy: -187.250408 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -56.520 flat angles C4'-P-C4' energy: -45.600 flat angles P-C4'-P energy: -34.486 tors. eta vs tors. theta energy: 5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1133.556595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.556595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.556595 (E_RNA) where: Base-Base interactions energy: -762.142 where: short stacking energy: -330.284 Base-Backbone interact. energy: 2.478 local terms energy: -373.892742 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -74.176 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -98.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1058.929808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.929808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.929808 (E_RNA) where: Base-Base interactions energy: -696.983 where: short stacking energy: -317.618 Base-Backbone interact. energy: -1.145 local terms energy: -360.801635 where: bonds (distance) C4'-P energy: -63.925 bonds (distance) P-C4' energy: -73.865 flat angles C4'-P-C4' energy: -77.803 flat angles P-C4'-P energy: -54.058 tors. eta vs tors. theta energy: -91.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1013.778846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.778846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.778846 (E_RNA) where: Base-Base interactions energy: -656.691 where: short stacking energy: -299.224 Base-Backbone interact. energy: -0.492 local terms energy: -356.596041 where: bonds (distance) C4'-P energy: -69.244 bonds (distance) P-C4' energy: -72.959 flat angles C4'-P-C4' energy: -78.007 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -85.010 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: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -980.308773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.308773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.308773 (E_RNA) where: Base-Base interactions energy: -647.050 where: short stacking energy: -280.828 Base-Backbone interact. energy: 0.665 local terms energy: -333.924031 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -69.303 flat angles C4'-P-C4' energy: -67.403 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -83.977 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: 366 Temperature: 1.100000 Total energy: -969.325909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.325909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.325909 (E_RNA) where: Base-Base interactions energy: -643.350 where: short stacking energy: -300.970 Base-Backbone interact. energy: 1.206 local terms energy: -327.182386 where: bonds (distance) C4'-P energy: -57.928 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -76.640 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -72.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -822.409907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.409907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.409907 (E_RNA) where: Base-Base interactions energy: -521.363 where: short stacking energy: -244.759 Base-Backbone interact. energy: 0.758 local terms energy: -301.804840 where: bonds (distance) C4'-P energy: -47.061 bonds (distance) P-C4' energy: -62.632 flat angles C4'-P-C4' energy: -74.970 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -73.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -647.296507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.296507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.296507 (E_RNA) where: Base-Base interactions energy: -395.233 where: short stacking energy: -186.531 Base-Backbone interact. energy: -1.607 local terms energy: -250.456136 where: bonds (distance) C4'-P energy: -48.036 bonds (distance) P-C4' energy: -75.676 flat angles C4'-P-C4' energy: -73.974 flat angles P-C4'-P energy: -25.009 tors. eta vs tors. theta energy: -27.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -560.247324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.247324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.247324 (E_RNA) where: Base-Base interactions energy: -331.557 where: short stacking energy: -166.736 Base-Backbone interact. energy: -1.372 local terms energy: -227.318472 where: bonds (distance) C4'-P energy: -58.925 bonds (distance) P-C4' energy: -58.657 flat angles C4'-P-C4' energy: -58.310 flat angles P-C4'-P energy: -30.311 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: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -323.363550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.363550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.363550 (E_RNA) where: Base-Base interactions energy: -103.286 where: short stacking energy: -101.680 Base-Backbone interact. energy: -0.321 local terms energy: -219.755696 where: bonds (distance) C4'-P energy: -51.177 bonds (distance) P-C4' energy: -71.854 flat angles C4'-P-C4' energy: -52.434 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -345.225236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.225236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.225236 (E_RNA) where: Base-Base interactions energy: -139.546 where: short stacking energy: -97.598 Base-Backbone interact. energy: 0.966 local terms energy: -206.645364 where: bonds (distance) C4'-P energy: -55.311 bonds (distance) P-C4' energy: -56.968 flat angles C4'-P-C4' energy: -62.248 flat angles P-C4'-P energy: -35.499 tors. eta vs tors. theta energy: 3.381 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: 367 Temperature: 0.900000 Total energy: -1155.677632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.677632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.677632 (E_RNA) where: Base-Base interactions energy: -798.088 where: short stacking energy: -340.416 Base-Backbone interact. energy: -2.506 local terms energy: -355.083011 where: bonds (distance) C4'-P energy: -63.384 bonds (distance) P-C4' energy: -70.348 flat angles C4'-P-C4' energy: -78.016 flat angles P-C4'-P energy: -47.975 tors. eta vs tors. theta energy: -95.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1070.250569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.250569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.250569 (E_RNA) where: Base-Base interactions energy: -708.827 where: short stacking energy: -316.182 Base-Backbone interact. energy: -1.926 local terms energy: -359.497987 where: bonds (distance) C4'-P energy: -63.726 bonds (distance) P-C4' energy: -71.039 flat angles C4'-P-C4' energy: -80.883 flat angles P-C4'-P energy: -49.367 tors. eta vs tors. theta energy: -94.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1003.561578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.561578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.561578 (E_RNA) where: Base-Base interactions energy: -666.700 where: short stacking energy: -303.130 Base-Backbone interact. energy: -1.445 local terms energy: -335.416877 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -70.214 flat angles C4'-P-C4' energy: -68.504 flat angles P-C4'-P energy: -40.641 tors. eta vs tors. theta energy: -80.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -936.911569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.911569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.911569 (E_RNA) where: Base-Base interactions energy: -616.696 where: short stacking energy: -284.890 Base-Backbone interact. energy: -1.736 local terms energy: -318.479485 where: bonds (distance) C4'-P energy: -63.841 bonds (distance) P-C4' energy: -59.821 flat angles C4'-P-C4' energy: -73.094 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -71.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -928.761462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.761462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.761462 (E_RNA) where: Base-Base interactions energy: -607.311 where: short stacking energy: -266.434 Base-Backbone interact. energy: -1.404 local terms energy: -320.046570 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -79.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -830.513001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.513001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.513001 (E_RNA) where: Base-Base interactions energy: -522.211 where: short stacking energy: -228.474 Base-Backbone interact. energy: -2.211 local terms energy: -306.091739 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -67.941 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -59.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -640.324347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.324347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.324347 (E_RNA) where: Base-Base interactions energy: -385.508 where: short stacking energy: -190.731 Base-Backbone interact. energy: -1.801 local terms energy: -253.015323 where: bonds (distance) C4'-P energy: -60.215 bonds (distance) P-C4' energy: -61.145 flat angles C4'-P-C4' energy: -69.389 flat angles P-C4'-P energy: -28.480 tors. eta vs tors. theta energy: -33.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -555.445329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.445329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.445329 (E_RNA) where: Base-Base interactions energy: -299.360 where: short stacking energy: -154.109 Base-Backbone interact. energy: -0.815 local terms energy: -255.270533 where: bonds (distance) C4'-P energy: -63.320 bonds (distance) P-C4' energy: -68.845 flat angles C4'-P-C4' energy: -59.066 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -16.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -297.900910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.900910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.900910 (E_RNA) where: Base-Base interactions energy: -122.716 where: short stacking energy: -96.078 Base-Backbone interact. energy: -1.627 local terms energy: -173.557454 where: bonds (distance) C4'-P energy: -51.133 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -18.329 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: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -306.464003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.464003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.464003 (E_RNA) where: Base-Base interactions energy: -121.582 where: short stacking energy: -114.965 Base-Backbone interact. energy: 1.444 local terms energy: -186.326661 where: bonds (distance) C4'-P energy: -53.349 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -53.311 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: 5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1126.701794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.701794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.701794 (E_RNA) where: Base-Base interactions energy: -774.572 where: short stacking energy: -325.314 Base-Backbone interact. energy: -2.555 local terms energy: -349.575575 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -72.413 flat angles C4'-P-C4' energy: -75.922 flat angles P-C4'-P energy: -47.152 tors. eta vs tors. theta energy: -91.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1051.702932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.702932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.702932 (E_RNA) where: Base-Base interactions energy: -704.003 where: short stacking energy: -326.118 Base-Backbone interact. energy: -3.225 local terms energy: -344.474516 where: bonds (distance) C4'-P energy: -63.178 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -72.569 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -96.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1019.943891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.943891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.943891 (E_RNA) where: Base-Base interactions energy: -682.906 where: short stacking energy: -303.335 Base-Backbone interact. energy: -2.127 local terms energy: -334.910821 where: bonds (distance) C4'-P energy: -63.289 bonds (distance) P-C4' energy: -66.014 flat angles C4'-P-C4' energy: -73.496 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -77.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -917.748565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.748565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.748565 (E_RNA) where: Base-Base interactions energy: -624.117 where: short stacking energy: -256.054 Base-Backbone interact. energy: 0.519 local terms energy: -294.150086 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -77.831 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -67.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -907.087983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.087983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.087983 (E_RNA) where: Base-Base interactions energy: -597.540 where: short stacking energy: -260.519 Base-Backbone interact. energy: -1.251 local terms energy: -308.296693 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -66.163 flat angles P-C4'-P energy: -41.716 tors. eta vs tors. theta energy: -67.981 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: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -827.332186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.332186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.332186 (E_RNA) where: Base-Base interactions energy: -560.311 where: short stacking energy: -258.726 Base-Backbone interact. energy: -1.207 local terms energy: -265.813757 where: bonds (distance) C4'-P energy: -52.219 bonds (distance) P-C4' energy: -54.803 flat angles C4'-P-C4' energy: -72.292 flat angles P-C4'-P energy: -23.986 tors. eta vs tors. theta energy: -62.515 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: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -646.475796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.475796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.475796 (E_RNA) where: Base-Base interactions energy: -389.896 where: short stacking energy: -175.706 Base-Backbone interact. energy: -2.762 local terms energy: -253.818373 where: bonds (distance) C4'-P energy: -57.023 bonds (distance) P-C4' energy: -65.537 flat angles C4'-P-C4' energy: -58.680 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -31.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -586.167109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.167109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.167109 (E_RNA) where: Base-Base interactions energy: -348.771 where: short stacking energy: -171.932 Base-Backbone interact. energy: -1.057 local terms energy: -236.339012 where: bonds (distance) C4'-P energy: -55.017 bonds (distance) P-C4' energy: -64.897 flat angles C4'-P-C4' energy: -59.710 flat angles P-C4'-P energy: -29.088 tors. eta vs tors. theta energy: -27.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -310.291748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.291748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.291748 (E_RNA) where: Base-Base interactions energy: -122.108 where: short stacking energy: -102.881 Base-Backbone interact. energy: -1.736 local terms energy: -186.447685 where: bonds (distance) C4'-P energy: -58.350 bonds (distance) P-C4' energy: -62.296 flat angles C4'-P-C4' energy: -42.861 flat angles P-C4'-P energy: -29.133 tors. eta vs tors. theta energy: 6.193 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: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -293.889266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.889266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.889266 (E_RNA) where: Base-Base interactions energy: -122.637 where: short stacking energy: -108.417 Base-Backbone interact. energy: 2.803 local terms energy: -174.054840 where: bonds (distance) C4'-P energy: -40.869 bonds (distance) P-C4' energy: -59.965 flat angles C4'-P-C4' energy: -51.814 flat angles P-C4'-P energy: -27.439 tors. eta vs tors. theta energy: 6.032 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: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1134.687855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.687855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.687855 (E_RNA) where: Base-Base interactions energy: -763.881 where: short stacking energy: -331.304 Base-Backbone interact. energy: -1.209 local terms energy: -369.598556 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -67.882 flat angles C4'-P-C4' energy: -77.391 flat angles P-C4'-P energy: -55.845 tors. eta vs tors. theta energy: -96.139 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: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1065.239679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.239679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.239679 (E_RNA) where: Base-Base interactions energy: -721.637 where: short stacking energy: -320.096 Base-Backbone interact. energy: -0.904 local terms energy: -342.698796 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -61.171 flat angles C4'-P-C4' energy: -72.802 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -94.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1035.591898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.591898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.591898 (E_RNA) where: Base-Base interactions energy: -679.819 where: short stacking energy: -317.826 Base-Backbone interact. energy: -1.442 local terms energy: -354.330857 where: bonds (distance) C4'-P energy: -66.030 bonds (distance) P-C4' energy: -68.966 flat angles C4'-P-C4' energy: -72.140 flat angles P-C4'-P energy: -56.437 tors. eta vs tors. theta energy: -90.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -946.808898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.808898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.808898 (E_RNA) where: Base-Base interactions energy: -638.080 where: short stacking energy: -285.984 Base-Backbone interact. energy: -0.991 local terms energy: -307.737796 where: bonds (distance) C4'-P energy: -56.611 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -75.910 flat angles P-C4'-P energy: -38.550 tors. eta vs tors. theta energy: -75.983 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: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -873.428126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.428126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.428126 (E_RNA) where: Base-Base interactions energy: -549.212 where: short stacking energy: -265.943 Base-Backbone interact. energy: -2.061 local terms energy: -322.155503 where: bonds (distance) C4'-P energy: -58.043 bonds (distance) P-C4' energy: -71.882 flat angles C4'-P-C4' energy: -85.843 flat angles P-C4'-P energy: -31.205 tors. eta vs tors. theta energy: -75.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -772.536682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.536682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.536682 (E_RNA) where: Base-Base interactions energy: -495.351 where: short stacking energy: -223.950 Base-Backbone interact. energy: -0.689 local terms energy: -276.497385 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -58.817 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -55.027 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: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -715.511276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.511276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.511276 (E_RNA) where: Base-Base interactions energy: -442.659 where: short stacking energy: -223.610 Base-Backbone interact. energy: -0.632 local terms energy: -272.219364 where: bonds (distance) C4'-P energy: -55.175 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -61.977 flat angles P-C4'-P energy: -37.579 tors. eta vs tors. theta energy: -59.735 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: 369 Temperature: 1.250000 Total energy: -658.349317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.349317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.349317 (E_RNA) where: Base-Base interactions energy: -395.895 where: short stacking energy: -186.993 Base-Backbone interact. energy: -0.831 local terms energy: -261.623647 where: bonds (distance) C4'-P energy: -69.379 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -54.622 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -43.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -378.279463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.279463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.279463 (E_RNA) where: Base-Base interactions energy: -210.374 where: short stacking energy: -108.629 Base-Backbone interact. energy: -0.103 local terms energy: -167.802193 where: bonds (distance) C4'-P energy: -59.639 bonds (distance) P-C4' energy: -55.388 flat angles C4'-P-C4' energy: -39.191 flat angles P-C4'-P energy: -24.060 tors. eta vs tors. theta energy: 10.475 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: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -301.171729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.171729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.171729 (E_RNA) where: Base-Base interactions energy: -115.128 where: short stacking energy: -104.612 Base-Backbone interact. energy: -0.967 local terms energy: -185.076424 where: bonds (distance) C4'-P energy: -54.037 bonds (distance) P-C4' energy: -49.497 flat angles C4'-P-C4' energy: -40.400 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: 3.961 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: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1128.268560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.268560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.268560 (E_RNA) where: Base-Base interactions energy: -782.709 where: short stacking energy: -338.407 Base-Backbone interact. energy: 0.178 local terms energy: -345.737210 where: bonds (distance) C4'-P energy: -71.485 bonds (distance) P-C4' energy: -59.595 flat angles C4'-P-C4' energy: -70.938 flat angles P-C4'-P energy: -48.394 tors. eta vs tors. theta energy: -95.325 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: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1068.913158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.913158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.913158 (E_RNA) where: Base-Base interactions energy: -723.144 where: short stacking energy: -333.585 Base-Backbone interact. energy: -0.178 local terms energy: -345.591849 where: bonds (distance) C4'-P energy: -63.926 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -76.438 flat angles P-C4'-P energy: -49.854 tors. eta vs tors. theta energy: -93.809 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: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1033.738703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.738703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.738703 (E_RNA) where: Base-Base interactions energy: -683.523 where: short stacking energy: -321.314 Base-Backbone interact. energy: -1.253 local terms energy: -348.962351 where: bonds (distance) C4'-P energy: -67.540 bonds (distance) P-C4' energy: -65.992 flat angles C4'-P-C4' energy: -75.955 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -92.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1000.873359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.873359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.873359 (E_RNA) where: Base-Base interactions energy: -667.969 where: short stacking energy: -302.571 Base-Backbone interact. energy: -2.833 local terms energy: -330.070563 where: bonds (distance) C4'-P energy: -60.643 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -64.894 flat angles P-C4'-P energy: -49.073 tors. eta vs tors. theta energy: -84.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -814.120515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.120515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.120515 (E_RNA) where: Base-Base interactions energy: -523.989 where: short stacking energy: -233.513 Base-Backbone interact. energy: -1.557 local terms energy: -288.573558 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -73.497 flat angles C4'-P-C4' energy: -63.136 flat angles P-C4'-P energy: -32.518 tors. eta vs tors. theta energy: -61.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -829.720403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.720403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.720403 (E_RNA) where: Base-Base interactions energy: -537.631 where: short stacking energy: -232.598 Base-Backbone interact. energy: -2.540 local terms energy: -289.549005 where: bonds (distance) C4'-P energy: -68.659 bonds (distance) P-C4' energy: -74.087 flat angles C4'-P-C4' energy: -60.396 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -49.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -693.391471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.391471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.391471 (E_RNA) where: Base-Base interactions energy: -401.472 where: short stacking energy: -183.057 Base-Backbone interact. energy: -0.843 local terms energy: -291.076546 where: bonds (distance) C4'-P energy: -69.736 bonds (distance) P-C4' energy: -66.332 flat angles C4'-P-C4' energy: -63.850 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -50.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -698.807090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.807090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.807090 (E_RNA) where: Base-Base interactions energy: -432.346 where: short stacking energy: -205.136 Base-Backbone interact. energy: -0.248 local terms energy: -266.213544 where: bonds (distance) C4'-P energy: -62.285 bonds (distance) P-C4' energy: -56.834 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -32.536 tors. eta vs tors. theta energy: -43.912 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: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -391.031290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.031290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.031290 (E_RNA) where: Base-Base interactions energy: -213.119 where: short stacking energy: -113.493 Base-Backbone interact. energy: 2.629 local terms energy: -180.541150 where: bonds (distance) C4'-P energy: -44.440 bonds (distance) P-C4' energy: -49.525 flat angles C4'-P-C4' energy: -59.921 flat angles P-C4'-P energy: -32.207 tors. eta vs tors. theta energy: 5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -341.602288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.602288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.602288 (E_RNA) where: Base-Base interactions energy: -141.536 where: short stacking energy: -88.618 Base-Backbone interact. energy: 0.416 local terms energy: -200.482747 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -62.858 flat angles C4'-P-C4' energy: -50.222 flat angles P-C4'-P energy: -26.868 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1120.246484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.246484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.246484 (E_RNA) where: Base-Base interactions energy: -780.987 where: short stacking energy: -337.895 Base-Backbone interact. energy: -1.550 local terms energy: -337.710030 where: bonds (distance) C4'-P energy: -63.737 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -80.139 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -87.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1050.794468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.794468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.794468 (E_RNA) where: Base-Base interactions energy: -712.180 where: short stacking energy: -327.551 Base-Backbone interact. energy: -2.374 local terms energy: -336.240595 where: bonds (distance) C4'-P energy: -66.217 bonds (distance) P-C4' energy: -64.517 flat angles C4'-P-C4' energy: -77.549 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -81.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1006.505516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.505516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.505516 (E_RNA) where: Base-Base interactions energy: -659.813 where: short stacking energy: -320.480 Base-Backbone interact. energy: 0.525 local terms energy: -347.217138 where: bonds (distance) C4'-P energy: -62.646 bonds (distance) P-C4' energy: -66.148 flat angles C4'-P-C4' energy: -76.753 flat angles P-C4'-P energy: -50.228 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: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -988.283292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.283292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.283292 (E_RNA) where: Base-Base interactions energy: -661.505 where: short stacking energy: -280.425 Base-Backbone interact. energy: -0.652 local terms energy: -326.126265 where: bonds (distance) C4'-P energy: -58.842 bonds (distance) P-C4' energy: -70.605 flat angles C4'-P-C4' energy: -73.185 flat angles P-C4'-P energy: -40.257 tors. eta vs tors. theta energy: -83.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -813.692086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.692086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.692086 (E_RNA) where: Base-Base interactions energy: -526.325 where: short stacking energy: -232.856 Base-Backbone interact. energy: -0.899 local terms energy: -286.468111 where: bonds (distance) C4'-P energy: -55.555 bonds (distance) P-C4' energy: -64.104 flat angles C4'-P-C4' energy: -57.979 flat angles P-C4'-P energy: -50.786 tors. eta vs tors. theta energy: -58.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -858.286940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.286940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.286940 (E_RNA) where: Base-Base interactions energy: -535.930 where: short stacking energy: -253.634 Base-Backbone interact. energy: -1.424 local terms energy: -320.932975 where: bonds (distance) C4'-P energy: -57.797 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -63.039 flat angles P-C4'-P energy: -49.925 tors. eta vs tors. theta energy: -82.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -663.846181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.846181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.846181 (E_RNA) where: Base-Base interactions energy: -418.404 where: short stacking energy: -204.297 Base-Backbone interact. energy: 1.044 local terms energy: -246.486419 where: bonds (distance) C4'-P energy: -62.457 bonds (distance) P-C4' energy: -63.015 flat angles C4'-P-C4' energy: -52.575 flat angles P-C4'-P energy: -33.764 tors. eta vs tors. theta energy: -34.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -655.653273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.653273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.653273 (E_RNA) where: Base-Base interactions energy: -403.201 where: short stacking energy: -191.088 Base-Backbone interact. energy: -1.021 local terms energy: -251.430792 where: bonds (distance) C4'-P energy: -52.252 bonds (distance) P-C4' energy: -47.998 flat angles C4'-P-C4' energy: -63.114 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -38.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -359.157949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.157949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.157949 (E_RNA) where: Base-Base interactions energy: -152.136 where: short stacking energy: -84.456 Base-Backbone interact. energy: -2.855 local terms energy: -204.166711 where: bonds (distance) C4'-P energy: -56.803 bonds (distance) P-C4' energy: -57.717 flat angles C4'-P-C4' energy: -62.650 flat angles P-C4'-P energy: -33.847 tors. eta vs tors. theta energy: 6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -319.548529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.548529 (E_RNA) where: Base-Base interactions energy: -132.312 where: short stacking energy: -92.972 Base-Backbone interact. energy: 1.574 local terms energy: -188.809896 where: bonds (distance) C4'-P energy: -58.934 bonds (distance) P-C4' energy: -52.253 flat angles C4'-P-C4' energy: -56.426 flat angles P-C4'-P energy: -19.560 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1123.643919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.643919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.643919 (E_RNA) where: Base-Base interactions energy: -773.904 where: short stacking energy: -323.945 Base-Backbone interact. energy: -1.945 local terms energy: -347.794917 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -70.828 flat angles C4'-P-C4' energy: -74.499 flat angles P-C4'-P energy: -45.196 tors. eta vs tors. theta energy: -93.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1054.580141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.580141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.580141 (E_RNA) where: Base-Base interactions energy: -712.347 where: short stacking energy: -319.450 Base-Backbone interact. energy: -1.272 local terms energy: -340.961838 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -69.455 flat angles C4'-P-C4' energy: -69.980 flat angles P-C4'-P energy: -45.753 tors. eta vs tors. theta energy: -98.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -986.337391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.337391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.337391 (E_RNA) where: Base-Base interactions energy: -649.339 where: short stacking energy: -287.801 Base-Backbone interact. energy: 0.208 local terms energy: -337.206791 where: bonds (distance) C4'-P energy: -68.803 bonds (distance) P-C4' energy: -69.431 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -51.556 tors. eta vs tors. theta energy: -71.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -969.696015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.696015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.696015 (E_RNA) where: Base-Base interactions energy: -658.174 where: short stacking energy: -280.204 Base-Backbone interact. energy: 0.643 local terms energy: -312.164813 where: bonds (distance) C4'-P energy: -58.994 bonds (distance) P-C4' energy: -71.781 flat angles C4'-P-C4' energy: -64.583 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -70.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -863.320177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.320177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.320177 (E_RNA) where: Base-Base interactions energy: -557.339 where: short stacking energy: -253.867 Base-Backbone interact. energy: -1.182 local terms energy: -304.799413 where: bonds (distance) C4'-P energy: -52.998 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -69.664 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -64.842 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: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -881.681982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.681982 (E_RNA) where: Base-Base interactions energy: -587.978 where: short stacking energy: -259.238 Base-Backbone interact. energy: -0.327 local terms energy: -293.377479 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -67.372 flat angles C4'-P-C4' energy: -58.174 flat angles P-C4'-P energy: -32.728 tors. eta vs tors. theta energy: -71.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -667.691495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.691495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.691495 (E_RNA) where: Base-Base interactions energy: -403.333 where: short stacking energy: -197.677 Base-Backbone interact. energy: -1.160 local terms energy: -263.198813 where: bonds (distance) C4'-P energy: -59.852 bonds (distance) P-C4' energy: -50.660 flat angles C4'-P-C4' energy: -65.946 flat angles P-C4'-P energy: -42.580 tors. eta vs tors. theta energy: -44.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -649.018777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.018777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.018777 (E_RNA) where: Base-Base interactions energy: -406.620 where: short stacking energy: -171.284 Base-Backbone interact. energy: -0.163 local terms energy: -242.236074 where: bonds (distance) C4'-P energy: -47.030 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -56.585 flat angles P-C4'-P energy: -39.765 tors. eta vs tors. theta energy: -43.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -318.962340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.962340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.962340 (E_RNA) where: Base-Base interactions energy: -121.051 where: short stacking energy: -79.464 Base-Backbone interact. energy: 2.323 local terms energy: -200.233797 where: bonds (distance) C4'-P energy: -63.831 bonds (distance) P-C4' energy: -53.839 flat angles C4'-P-C4' energy: -57.690 flat angles P-C4'-P energy: -29.977 tors. eta vs tors. theta energy: 5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -343.773041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.773041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.773041 (E_RNA) where: Base-Base interactions energy: -153.011 where: short stacking energy: -96.555 Base-Backbone interact. energy: -1.557 local terms energy: -189.204816 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -61.043 flat angles C4'-P-C4' energy: -44.852 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: 11.896 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: 373 Temperature: 0.900000 Total energy: -1128.687958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.687958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.687958 (E_RNA) where: Base-Base interactions energy: -778.124 where: short stacking energy: -349.189 Base-Backbone interact. energy: 0.798 local terms energy: -351.362179 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -66.511 flat angles C4'-P-C4' energy: -76.595 flat angles P-C4'-P energy: -47.649 tors. eta vs tors. theta energy: -93.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1070.957950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.957950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.957950 (E_RNA) where: Base-Base interactions energy: -713.345 where: short stacking energy: -334.477 Base-Backbone interact. energy: -2.108 local terms energy: -355.505515 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -67.916 flat angles C4'-P-C4' energy: -77.124 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -91.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -992.618933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.618933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.618933 (E_RNA) where: Base-Base interactions energy: -653.691 where: short stacking energy: -303.438 Base-Backbone interact. energy: -0.860 local terms energy: -338.068333 where: bonds (distance) C4'-P energy: -66.425 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -51.651 tors. eta vs tors. theta energy: -82.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -896.081192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.081192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.081192 (E_RNA) where: Base-Base interactions energy: -585.271 where: short stacking energy: -283.883 Base-Backbone interact. energy: -1.241 local terms energy: -309.569716 where: bonds (distance) C4'-P energy: -57.573 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -69.761 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: -77.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -962.923979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.923979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.923979 (E_RNA) where: Base-Base interactions energy: -646.777 where: short stacking energy: -274.535 Base-Backbone interact. energy: -0.517 local terms energy: -315.629922 where: bonds (distance) C4'-P energy: -61.880 bonds (distance) P-C4' energy: -67.584 flat angles C4'-P-C4' energy: -68.024 flat angles P-C4'-P energy: -36.870 tors. eta vs tors. theta energy: -81.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -869.731464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.731464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.731464 (E_RNA) where: Base-Base interactions energy: -574.922 where: short stacking energy: -242.764 Base-Backbone interact. energy: 1.816 local terms energy: -296.626301 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -72.193 flat angles C4'-P-C4' energy: -56.428 flat angles P-C4'-P energy: -36.868 tors. eta vs tors. theta energy: -69.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -673.683566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.683566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.683566 (E_RNA) where: Base-Base interactions energy: -397.818 where: short stacking energy: -197.046 Base-Backbone interact. energy: -1.406 local terms energy: -274.460058 where: bonds (distance) C4'-P energy: -62.564 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -63.143 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: -39.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -584.893049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.893049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.893049 (E_RNA) where: Base-Base interactions energy: -366.157 where: short stacking energy: -169.148 Base-Backbone interact. energy: -1.467 local terms energy: -217.269507 where: bonds (distance) C4'-P energy: -47.005 bonds (distance) P-C4' energy: -62.265 flat angles C4'-P-C4' energy: -47.019 flat angles P-C4'-P energy: -33.936 tors. eta vs tors. theta energy: -27.045 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: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -305.504461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.504461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.504461 (E_RNA) where: Base-Base interactions energy: -103.923 where: short stacking energy: -77.613 Base-Backbone interact. energy: -0.490 local terms energy: -201.091934 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -52.688 flat angles C4'-P-C4' energy: -51.212 flat angles P-C4'-P energy: -30.205 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -298.040178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.040178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.040178 (E_RNA) where: Base-Base interactions energy: -124.715 where: short stacking energy: -82.697 Base-Backbone interact. energy: 1.086 local terms energy: -174.411839 where: bonds (distance) C4'-P energy: -60.540 bonds (distance) P-C4' energy: -48.264 flat angles C4'-P-C4' energy: -52.033 flat angles P-C4'-P energy: -27.848 tors. eta vs tors. theta energy: 14.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1142.745078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.745078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.745078 (E_RNA) where: Base-Base interactions energy: -784.040 where: short stacking energy: -346.254 Base-Backbone interact. energy: 1.394 local terms energy: -360.098562 where: bonds (distance) C4'-P energy: -67.725 bonds (distance) P-C4' energy: -57.723 flat angles C4'-P-C4' energy: -77.228 flat angles P-C4'-P energy: -55.959 tors. eta vs tors. theta energy: -101.464 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: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1035.266389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.266389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.266389 (E_RNA) where: Base-Base interactions energy: -668.454 where: short stacking energy: -314.904 Base-Backbone interact. energy: 0.363 local terms energy: -367.175016 where: bonds (distance) C4'-P energy: -75.547 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -78.579 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: -93.521 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: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -996.690475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.690475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.690475 (E_RNA) where: Base-Base interactions energy: -655.939 where: short stacking energy: -300.691 Base-Backbone interact. energy: -2.476 local terms energy: -338.275532 where: bonds (distance) C4'-P energy: -63.097 bonds (distance) P-C4' energy: -61.212 flat angles C4'-P-C4' energy: -81.686 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -84.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -905.487664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.487664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.487664 (E_RNA) where: Base-Base interactions energy: -584.985 where: short stacking energy: -263.294 Base-Backbone interact. energy: 2.716 local terms energy: -323.219159 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -74.115 flat angles P-C4'-P energy: -38.541 tors. eta vs tors. theta energy: -75.624 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: 8 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -935.708190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.708190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.708190 (E_RNA) where: Base-Base interactions energy: -631.699 where: short stacking energy: -281.927 Base-Backbone interact. energy: -1.242 local terms energy: -302.767181 where: bonds (distance) C4'-P energy: -55.596 bonds (distance) P-C4' energy: -59.175 flat angles C4'-P-C4' energy: -74.032 flat angles P-C4'-P energy: -47.032 tors. eta vs tors. theta energy: -66.933 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: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -868.976790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.976790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.976790 (E_RNA) where: Base-Base interactions energy: -578.502 where: short stacking energy: -237.886 Base-Backbone interact. energy: 1.672 local terms energy: -292.146632 where: bonds (distance) C4'-P energy: -60.947 bonds (distance) P-C4' energy: -62.464 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -41.369 tors. eta vs tors. theta energy: -62.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -625.065062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.065062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.065062 (E_RNA) where: Base-Base interactions energy: -373.889 where: short stacking energy: -174.454 Base-Backbone interact. energy: -0.124 local terms energy: -251.051868 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -55.088 flat angles C4'-P-C4' energy: -60.469 flat angles P-C4'-P energy: -37.808 tors. eta vs tors. theta energy: -41.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -566.751473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.751473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.751473 (E_RNA) where: Base-Base interactions energy: -361.989 where: short stacking energy: -161.568 Base-Backbone interact. energy: -0.798 local terms energy: -203.964499 where: bonds (distance) C4'-P energy: -46.305 bonds (distance) P-C4' energy: -46.359 flat angles C4'-P-C4' energy: -47.134 flat angles P-C4'-P energy: -40.822 tors. eta vs tors. theta energy: -23.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -308.241850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.241850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.241850 (E_RNA) where: Base-Base interactions energy: -104.595 where: short stacking energy: -82.026 Base-Backbone interact. energy: 1.526 local terms energy: -205.172715 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -63.983 flat angles C4'-P-C4' energy: -60.922 flat angles P-C4'-P energy: -24.359 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -278.110857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.110857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.110857 (E_RNA) where: Base-Base interactions energy: -94.116 where: short stacking energy: -78.509 Base-Backbone interact. energy: 0.346 local terms energy: -184.341120 where: bonds (distance) C4'-P energy: -56.760 bonds (distance) P-C4' energy: -56.463 flat angles C4'-P-C4' energy: -37.034 flat angles P-C4'-P energy: -32.690 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1130.024300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.024300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.024300 (E_RNA) where: Base-Base interactions energy: -769.459 where: short stacking energy: -325.633 Base-Backbone interact. energy: -0.407 local terms energy: -360.157762 where: bonds (distance) C4'-P energy: -63.676 bonds (distance) P-C4' energy: -72.721 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: -99.141 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: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1070.143366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.143366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.143366 (E_RNA) where: Base-Base interactions energy: -722.058 where: short stacking energy: -327.883 Base-Backbone interact. energy: -0.942 local terms energy: -347.143210 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -68.730 flat angles C4'-P-C4' energy: -73.691 flat angles P-C4'-P energy: -51.466 tors. eta vs tors. theta energy: -89.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -976.046706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.046706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.046706 (E_RNA) where: Base-Base interactions energy: -628.334 where: short stacking energy: -283.435 Base-Backbone interact. energy: -0.974 local terms energy: -346.738374 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -66.017 flat angles C4'-P-C4' energy: -77.308 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -90.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -971.832407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.832407 (E_RNA) where: Base-Base interactions energy: -674.862 where: short stacking energy: -298.008 Base-Backbone interact. energy: -1.449 local terms energy: -295.521658 where: bonds (distance) C4'-P energy: -48.022 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -59.619 flat angles P-C4'-P energy: -52.161 tors. eta vs tors. theta energy: -71.581 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: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -893.683828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.683828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.683828 (E_RNA) where: Base-Base interactions energy: -585.206 where: short stacking energy: -271.922 Base-Backbone interact. energy: -0.528 local terms energy: -307.950055 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -59.582 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -73.799 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: 375 Temperature: 1.150000 Total energy: -865.364468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.364468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.364468 (E_RNA) where: Base-Base interactions energy: -564.175 where: short stacking energy: -255.145 Base-Backbone interact. energy: -2.467 local terms energy: -298.722064 where: bonds (distance) C4'-P energy: -61.168 bonds (distance) P-C4' energy: -59.822 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -43.389 tors. eta vs tors. theta energy: -58.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -635.500315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.500315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.500315 (E_RNA) where: Base-Base interactions energy: -378.724 where: short stacking energy: -205.576 Base-Backbone interact. energy: -1.400 local terms energy: -255.376711 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -60.101 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: -38.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -522.764221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.764221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.764221 (E_RNA) where: Base-Base interactions energy: -286.020 where: short stacking energy: -154.316 Base-Backbone interact. energy: 4.410 local terms energy: -241.154262 where: bonds (distance) C4'-P energy: -64.617 bonds (distance) P-C4' energy: -57.879 flat angles C4'-P-C4' energy: -60.924 flat angles P-C4'-P energy: -35.101 tors. eta vs tors. theta energy: -22.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -307.560213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.560213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.560213 (E_RNA) where: Base-Base interactions energy: -136.565 where: short stacking energy: -84.084 Base-Backbone interact. energy: -1.489 local terms energy: -169.505642 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -45.101 flat angles C4'-P-C4' energy: -53.712 flat angles P-C4'-P energy: -27.205 tors. eta vs tors. theta energy: 18.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -276.390949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.390949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.390949 (E_RNA) where: Base-Base interactions energy: -98.767 where: short stacking energy: -72.242 Base-Backbone interact. energy: -0.354 local terms energy: -177.270076 where: bonds (distance) C4'-P energy: -50.259 bonds (distance) P-C4' energy: -57.846 flat angles C4'-P-C4' energy: -47.288 flat angles P-C4'-P energy: -23.825 tors. eta vs tors. theta energy: 1.947 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: 376 Temperature: 0.900000 Total energy: -1148.912797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.912797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.912797 (E_RNA) where: Base-Base interactions energy: -766.007 where: short stacking energy: -339.743 Base-Backbone interact. energy: -3.208 local terms energy: -379.697031 where: bonds (distance) C4'-P energy: -72.680 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -80.210 flat angles P-C4'-P energy: -57.314 tors. eta vs tors. theta energy: -98.134 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: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1054.982684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.982684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.982684 (E_RNA) where: Base-Base interactions energy: -710.027 where: short stacking energy: -310.772 Base-Backbone interact. energy: -1.370 local terms energy: -343.585567 where: bonds (distance) C4'-P energy: -69.757 bonds (distance) P-C4' energy: -63.040 flat angles C4'-P-C4' energy: -76.859 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -82.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1036.672624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.672624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.672624 (E_RNA) where: Base-Base interactions energy: -696.959 where: short stacking energy: -320.936 Base-Backbone interact. energy: -0.211 local terms energy: -339.502498 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -71.736 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -49.090 tors. eta vs tors. theta energy: -84.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -953.724047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.724047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.724047 (E_RNA) where: Base-Base interactions energy: -616.108 where: short stacking energy: -274.197 Base-Backbone interact. energy: -1.109 local terms energy: -336.506923 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -68.556 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -81.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -891.267072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.267072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.267072 (E_RNA) where: Base-Base interactions energy: -596.586 where: short stacking energy: -258.205 Base-Backbone interact. energy: 0.516 local terms energy: -295.197673 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -63.955 flat angles C4'-P-C4' energy: -62.599 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -68.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -868.123453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.123453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.123453 (E_RNA) where: Base-Base interactions energy: -556.156 where: short stacking energy: -260.177 Base-Backbone interact. energy: -1.160 local terms energy: -310.807675 where: bonds (distance) C4'-P energy: -54.074 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -68.751 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -80.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -625.843187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.843187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.843187 (E_RNA) where: Base-Base interactions energy: -382.565 where: short stacking energy: -199.191 Base-Backbone interact. energy: -0.879 local terms energy: -242.399208 where: bonds (distance) C4'-P energy: -47.714 bonds (distance) P-C4' energy: -61.775 flat angles C4'-P-C4' energy: -54.938 flat angles P-C4'-P energy: -42.224 tors. eta vs tors. theta energy: -35.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -587.302668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.302668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.302668 (E_RNA) where: Base-Base interactions energy: -342.712 where: short stacking energy: -186.418 Base-Backbone interact. energy: -0.568 local terms energy: -244.023610 where: bonds (distance) C4'-P energy: -41.215 bonds (distance) P-C4' energy: -60.530 flat angles C4'-P-C4' energy: -57.382 flat angles P-C4'-P energy: -41.809 tors. eta vs tors. theta energy: -43.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -316.878593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.878593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.878593 (E_RNA) where: Base-Base interactions energy: -111.795 where: short stacking energy: -97.293 Base-Backbone interact. energy: 0.249 local terms energy: -205.332514 where: bonds (distance) C4'-P energy: -50.232 bonds (distance) P-C4' energy: -63.753 flat angles C4'-P-C4' energy: -51.442 flat angles P-C4'-P energy: -27.675 tors. eta vs tors. theta energy: -12.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -274.888831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.888831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.888831 (E_RNA) where: Base-Base interactions energy: -89.989 where: short stacking energy: -86.810 Base-Backbone interact. energy: 0.119 local terms energy: -185.018545 where: bonds (distance) C4'-P energy: -61.523 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -42.540 flat angles P-C4'-P energy: -31.360 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: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1122.893986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.893986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.893986 (E_RNA) where: Base-Base interactions energy: -774.425 where: short stacking energy: -341.393 Base-Backbone interact. energy: -3.371 local terms energy: -345.098280 where: bonds (distance) C4'-P energy: -66.550 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -74.042 flat angles P-C4'-P energy: -48.635 tors. eta vs tors. theta energy: -96.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1062.393807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.393807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.393807 (E_RNA) where: Base-Base interactions energy: -716.388 where: short stacking energy: -309.796 Base-Backbone interact. energy: -0.821 local terms energy: -345.184507 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -70.046 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -96.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1013.644374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.644374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.644374 (E_RNA) where: Base-Base interactions energy: -683.068 where: short stacking energy: -317.410 Base-Backbone interact. energy: -2.371 local terms energy: -328.205386 where: bonds (distance) C4'-P energy: -56.025 bonds (distance) P-C4' energy: -63.738 flat angles C4'-P-C4' energy: -70.038 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -83.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -917.918228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.918228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.918228 (E_RNA) where: Base-Base interactions energy: -612.001 where: short stacking energy: -243.971 Base-Backbone interact. energy: -0.719 local terms energy: -305.198238 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -70.020 flat angles C4'-P-C4' energy: -65.940 flat angles P-C4'-P energy: -48.814 tors. eta vs tors. theta energy: -61.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -919.556263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.556263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.556263 (E_RNA) where: Base-Base interactions energy: -598.754 where: short stacking energy: -278.378 Base-Backbone interact. energy: -1.611 local terms energy: -319.190772 where: bonds (distance) C4'-P energy: -65.528 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -44.355 tors. eta vs tors. theta energy: -77.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -814.232726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.232726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.232726 (E_RNA) where: Base-Base interactions energy: -511.120 where: short stacking energy: -229.948 Base-Backbone interact. energy: -1.771 local terms energy: -301.341633 where: bonds (distance) C4'-P energy: -66.047 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -59.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -640.756070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.756070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.756070 (E_RNA) where: Base-Base interactions energy: -395.038 where: short stacking energy: -197.276 Base-Backbone interact. energy: -1.805 local terms energy: -243.913692 where: bonds (distance) C4'-P energy: -58.024 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -24.700 tors. eta vs tors. theta energy: -30.381 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: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -585.134610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.134610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.134610 (E_RNA) where: Base-Base interactions energy: -337.853 where: short stacking energy: -184.626 Base-Backbone interact. energy: -1.600 local terms energy: -245.681367 where: bonds (distance) C4'-P energy: -65.702 bonds (distance) P-C4' energy: -61.864 flat angles C4'-P-C4' energy: -54.643 flat angles P-C4'-P energy: -28.170 tors. eta vs tors. theta energy: -35.302 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: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -328.299166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.299166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.299166 (E_RNA) where: Base-Base interactions energy: -126.839 where: short stacking energy: -92.966 Base-Backbone interact. energy: -0.530 local terms energy: -200.930618 where: bonds (distance) C4'-P energy: -57.391 bonds (distance) P-C4' energy: -58.399 flat angles C4'-P-C4' energy: -54.030 flat angles P-C4'-P energy: -35.729 tors. eta vs tors. theta energy: 4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -287.476814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.476814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.476814 (E_RNA) where: Base-Base interactions energy: -99.621 where: short stacking energy: -71.256 Base-Backbone interact. energy: -0.661 local terms energy: -187.194422 where: bonds (distance) C4'-P energy: -59.414 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -57.088 flat angles P-C4'-P energy: -26.394 tors. eta vs tors. theta energy: 19.452 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: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1136.495400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.495400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.495400 (E_RNA) where: Base-Base interactions energy: -765.154 where: short stacking energy: -332.790 Base-Backbone interact. energy: -1.154 local terms energy: -370.187069 where: bonds (distance) C4'-P energy: -73.337 bonds (distance) P-C4' energy: -76.637 flat angles C4'-P-C4' energy: -73.444 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -95.586 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: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1089.938145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.938145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.938145 (E_RNA) where: Base-Base interactions energy: -733.720 where: short stacking energy: -327.297 Base-Backbone interact. energy: -0.842 local terms energy: -355.376525 where: bonds (distance) C4'-P energy: -71.870 bonds (distance) P-C4' energy: -68.609 flat angles C4'-P-C4' energy: -71.945 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -88.685 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: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -996.450383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.450383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.450383 (E_RNA) where: Base-Base interactions energy: -656.747 where: short stacking energy: -300.160 Base-Backbone interact. energy: -0.470 local terms energy: -339.232837 where: bonds (distance) C4'-P energy: -64.842 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -69.970 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -83.953 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: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -950.681747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.681747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.681747 (E_RNA) where: Base-Base interactions energy: -622.520 where: short stacking energy: -286.697 Base-Backbone interact. energy: -1.174 local terms energy: -326.988005 where: bonds (distance) C4'-P energy: -81.107 bonds (distance) P-C4' energy: -57.915 flat angles C4'-P-C4' energy: -65.775 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -73.737 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: 378 Temperature: 1.100000 Total energy: -902.955728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.955728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.955728 (E_RNA) where: Base-Base interactions energy: -590.103 where: short stacking energy: -264.296 Base-Backbone interact. energy: -0.607 local terms energy: -312.246104 where: bonds (distance) C4'-P energy: -62.478 bonds (distance) P-C4' energy: -68.650 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -41.309 tors. eta vs tors. theta energy: -72.582 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: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -868.164633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.164633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.164633 (E_RNA) where: Base-Base interactions energy: -580.037 where: short stacking energy: -250.908 Base-Backbone interact. energy: 0.498 local terms energy: -288.625885 where: bonds (distance) C4'-P energy: -61.148 bonds (distance) P-C4' energy: -62.034 flat angles C4'-P-C4' energy: -63.445 flat angles P-C4'-P energy: -41.535 tors. eta vs tors. theta energy: -60.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -650.849532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.849532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.849532 (E_RNA) where: Base-Base interactions energy: -379.039 where: short stacking energy: -178.611 Base-Backbone interact. energy: -0.392 local terms energy: -271.418497 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -70.195 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -26.214 tors. eta vs tors. theta energy: -49.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -551.837552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.837552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.837552 (E_RNA) where: Base-Base interactions energy: -335.876 where: short stacking energy: -174.333 Base-Backbone interact. energy: -0.457 local terms energy: -215.504864 where: bonds (distance) C4'-P energy: -64.393 bonds (distance) P-C4' energy: -58.260 flat angles C4'-P-C4' energy: -43.759 flat angles P-C4'-P energy: -30.740 tors. eta vs tors. theta energy: -18.352 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: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -314.033035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.033035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.033035 (E_RNA) where: Base-Base interactions energy: -114.299 where: short stacking energy: -106.387 Base-Backbone interact. energy: 0.042 local terms energy: -199.776151 where: bonds (distance) C4'-P energy: -68.326 bonds (distance) P-C4' energy: -47.092 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -19.030 tors. eta vs tors. theta energy: -5.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -282.677023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.677023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.677023 (E_RNA) where: Base-Base interactions energy: -91.179 where: short stacking energy: -66.164 Base-Backbone interact. energy: 11.768 local terms energy: -203.265926 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -48.596 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -35.506 tors. eta vs tors. theta energy: 6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1118.965473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.965473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.965473 (E_RNA) where: Base-Base interactions energy: -758.072 where: short stacking energy: -309.715 Base-Backbone interact. energy: -1.974 local terms energy: -358.920141 where: bonds (distance) C4'-P energy: -69.904 bonds (distance) P-C4' energy: -72.661 flat angles C4'-P-C4' energy: -75.993 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -88.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1075.248970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.248970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.248970 (E_RNA) where: Base-Base interactions energy: -730.287 where: short stacking energy: -315.251 Base-Backbone interact. energy: -0.634 local terms energy: -344.328169 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -69.798 flat angles C4'-P-C4' energy: -75.748 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -97.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1017.546783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.546783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.546783 (E_RNA) where: Base-Base interactions energy: -683.328 where: short stacking energy: -313.770 Base-Backbone interact. energy: -0.989 local terms energy: -333.229794 where: bonds (distance) C4'-P energy: -63.353 bonds (distance) P-C4' energy: -71.396 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -82.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -969.725034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.725034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.725034 (E_RNA) where: Base-Base interactions energy: -662.165 where: short stacking energy: -271.012 Base-Backbone interact. energy: -2.408 local terms energy: -305.152268 where: bonds (distance) C4'-P energy: -48.803 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -71.064 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -74.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -905.988098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.988098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.988098 (E_RNA) where: Base-Base interactions energy: -594.768 where: short stacking energy: -263.213 Base-Backbone interact. energy: 0.046 local terms energy: -311.266395 where: bonds (distance) C4'-P energy: -65.051 bonds (distance) P-C4' energy: -62.514 flat angles C4'-P-C4' energy: -79.682 flat angles P-C4'-P energy: -31.232 tors. eta vs tors. theta energy: -72.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -847.426329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.426329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.426329 (E_RNA) where: Base-Base interactions energy: -576.386 where: short stacking energy: -233.632 Base-Backbone interact. energy: 0.266 local terms energy: -271.306024 where: bonds (distance) C4'-P energy: -56.299 bonds (distance) P-C4' energy: -64.839 flat angles C4'-P-C4' energy: -50.429 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -59.854 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: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -737.550707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.550707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.550707 (E_RNA) where: Base-Base interactions energy: -454.738 where: short stacking energy: -207.160 Base-Backbone interact. energy: -0.105 local terms energy: -282.707619 where: bonds (distance) C4'-P energy: -64.394 bonds (distance) P-C4' energy: -57.177 flat angles C4'-P-C4' energy: -67.801 flat angles P-C4'-P energy: -43.820 tors. eta vs tors. theta energy: -49.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -577.357041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.357041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.357041 (E_RNA) where: Base-Base interactions energy: -344.874 where: short stacking energy: -171.803 Base-Backbone interact. energy: 1.732 local terms energy: -234.214392 where: bonds (distance) C4'-P energy: -46.502 bonds (distance) P-C4' energy: -57.762 flat angles C4'-P-C4' energy: -57.194 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -33.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -337.830336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.830336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.830336 (E_RNA) where: Base-Base interactions energy: -141.862 where: short stacking energy: -87.068 Base-Backbone interact. energy: -1.605 local terms energy: -194.363830 where: bonds (distance) C4'-P energy: -56.890 bonds (distance) P-C4' energy: -58.662 flat angles C4'-P-C4' energy: -41.110 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: -2.095 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: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -293.260793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.260793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.260793 (E_RNA) where: Base-Base interactions energy: -91.329 where: short stacking energy: -80.280 Base-Backbone interact. energy: -1.461 local terms energy: -200.470921 where: bonds (distance) C4'-P energy: -53.329 bonds (distance) P-C4' energy: -68.091 flat angles C4'-P-C4' energy: -59.830 flat angles P-C4'-P energy: -35.520 tors. eta vs tors. theta energy: 16.299 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: 1, replica: 5 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1129.206020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.206020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.206020 (E_RNA) where: Base-Base interactions energy: -762.265 where: short stacking energy: -315.920 Base-Backbone interact. energy: -4.223 local terms energy: -362.718221 where: bonds (distance) C4'-P energy: -58.961 bonds (distance) P-C4' energy: -77.049 flat angles C4'-P-C4' energy: -79.664 flat angles P-C4'-P energy: -54.563 tors. eta vs tors. theta energy: -92.481 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: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1067.360694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.360694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.360694 (E_RNA) where: Base-Base interactions energy: -715.187 where: short stacking energy: -316.686 Base-Backbone interact. energy: -1.663 local terms energy: -350.510683 where: bonds (distance) C4'-P energy: -73.642 bonds (distance) P-C4' energy: -67.117 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -90.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1006.180778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.180778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.180778 (E_RNA) where: Base-Base interactions energy: -678.112 where: short stacking energy: -309.683 Base-Backbone interact. energy: -1.605 local terms energy: -326.464278 where: bonds (distance) C4'-P energy: -67.520 bonds (distance) P-C4' energy: -62.144 flat angles C4'-P-C4' energy: -71.191 flat angles P-C4'-P energy: -39.815 tors. eta vs tors. theta energy: -85.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -976.662842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.662842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.662842 (E_RNA) where: Base-Base interactions energy: -654.533 where: short stacking energy: -274.476 Base-Backbone interact. energy: 0.299 local terms energy: -322.428583 where: bonds (distance) C4'-P energy: -66.246 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: -75.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -923.529883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.529883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.529883 (E_RNA) where: Base-Base interactions energy: -616.317 where: short stacking energy: -281.296 Base-Backbone interact. energy: 0.443 local terms energy: -307.656136 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -65.755 flat angles P-C4'-P energy: -39.638 tors. eta vs tors. theta energy: -86.233 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: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -872.712817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.712817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.712817 (E_RNA) where: Base-Base interactions energy: -573.978 where: short stacking energy: -258.135 Base-Backbone interact. energy: -0.709 local terms energy: -298.025304 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -67.530 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: -63.465 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: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -733.546334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.546334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.546334 (E_RNA) where: Base-Base interactions energy: -469.771 where: short stacking energy: -211.308 Base-Backbone interact. energy: 3.881 local terms energy: -267.655932 where: bonds (distance) C4'-P energy: -55.536 bonds (distance) P-C4' energy: -64.666 flat angles C4'-P-C4' energy: -61.031 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -41.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -525.545272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.545272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.545272 (E_RNA) where: Base-Base interactions energy: -321.366 where: short stacking energy: -150.592 Base-Backbone interact. energy: 3.195 local terms energy: -207.374630 where: bonds (distance) C4'-P energy: -47.181 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -58.140 flat angles P-C4'-P energy: -31.932 tors. eta vs tors. theta energy: -16.179 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: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -305.637296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.637296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.637296 (E_RNA) where: Base-Base interactions energy: -102.503 where: short stacking energy: -93.210 Base-Backbone interact. energy: -0.828 local terms energy: -202.306121 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -59.863 flat angles C4'-P-C4' energy: -45.360 flat angles P-C4'-P energy: -32.367 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -288.239148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.239148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.239148 (E_RNA) where: Base-Base interactions energy: -117.866 where: short stacking energy: -95.683 Base-Backbone interact. energy: -1.075 local terms energy: -169.298865 where: bonds (distance) C4'-P energy: -49.340 bonds (distance) P-C4' energy: -50.226 flat angles C4'-P-C4' energy: -45.949 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: 15.381 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: 381 Temperature: 0.900000 Total energy: -1128.394641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.394641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.394641 (E_RNA) where: Base-Base interactions energy: -772.132 where: short stacking energy: -348.812 Base-Backbone interact. energy: -2.552 local terms energy: -353.710986 where: bonds (distance) C4'-P energy: -63.483 bonds (distance) P-C4' energy: -70.398 flat angles C4'-P-C4' energy: -81.064 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -88.268 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: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1046.386008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.386008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.386008 (E_RNA) where: Base-Base interactions energy: -695.993 where: short stacking energy: -299.466 Base-Backbone interact. energy: 0.086 local terms energy: -350.479265 where: bonds (distance) C4'-P energy: -72.010 bonds (distance) P-C4' energy: -67.932 flat angles C4'-P-C4' energy: -74.446 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -86.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1008.494162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.494162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.494162 (E_RNA) where: Base-Base interactions energy: -662.392 where: short stacking energy: -281.614 Base-Backbone interact. energy: -2.109 local terms energy: -343.993126 where: bonds (distance) C4'-P energy: -66.346 bonds (distance) P-C4' energy: -71.009 flat angles C4'-P-C4' energy: -72.225 flat angles P-C4'-P energy: -47.883 tors. eta vs tors. theta energy: -86.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -977.081068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.081068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.081068 (E_RNA) where: Base-Base interactions energy: -665.481 where: short stacking energy: -275.298 Base-Backbone interact. energy: -1.583 local terms energy: -310.017429 where: bonds (distance) C4'-P energy: -68.964 bonds (distance) P-C4' energy: -57.082 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -73.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -891.177671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.177671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.177671 (E_RNA) where: Base-Base interactions energy: -595.742 where: short stacking energy: -274.697 Base-Backbone interact. energy: -1.065 local terms energy: -294.371441 where: bonds (distance) C4'-P energy: -49.087 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -72.538 flat angles P-C4'-P energy: -38.299 tors. eta vs tors. theta energy: -70.479 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: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -883.825951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.825951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.825951 (E_RNA) where: Base-Base interactions energy: -594.044 where: short stacking energy: -279.251 Base-Backbone interact. energy: -1.457 local terms energy: -288.325051 where: bonds (distance) C4'-P energy: -61.100 bonds (distance) P-C4' energy: -46.949 flat angles C4'-P-C4' energy: -69.922 flat angles P-C4'-P energy: -36.423 tors. eta vs tors. theta energy: -73.932 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: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -723.002389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.002389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.002389 (E_RNA) where: Base-Base interactions energy: -443.584 where: short stacking energy: -207.810 Base-Backbone interact. energy: -0.211 local terms energy: -279.207862 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -64.531 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: -46.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -478.632026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.632026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.632026 (E_RNA) where: Base-Base interactions energy: -250.128 where: short stacking energy: -138.475 Base-Backbone interact. energy: 2.265 local terms energy: -230.768905 where: bonds (distance) C4'-P energy: -63.492 bonds (distance) P-C4' energy: -61.046 flat angles C4'-P-C4' energy: -57.922 flat angles P-C4'-P energy: -25.639 tors. eta vs tors. theta energy: -22.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -310.795845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.795845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.795845 (E_RNA) where: Base-Base interactions energy: -111.791 where: short stacking energy: -106.200 Base-Backbone interact. energy: -1.075 local terms energy: -197.929441 where: bonds (distance) C4'-P energy: -51.989 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -56.754 flat angles P-C4'-P energy: -28.511 tors. eta vs tors. theta energy: 1.286 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: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -283.599738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.599738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.599738 (E_RNA) where: Base-Base interactions energy: -108.181 where: short stacking energy: -83.178 Base-Backbone interact. energy: -0.533 local terms energy: -174.885739 where: bonds (distance) C4'-P energy: -53.862 bonds (distance) P-C4' energy: -67.403 flat angles C4'-P-C4' energy: -38.122 flat angles P-C4'-P energy: -29.552 tors. eta vs tors. theta energy: 14.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1125.317301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.317301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.317301 (E_RNA) where: Base-Base interactions energy: -773.006 where: short stacking energy: -331.467 Base-Backbone interact. energy: -1.584 local terms energy: -350.727081 where: bonds (distance) C4'-P energy: -63.430 bonds (distance) P-C4' energy: -78.389 flat angles C4'-P-C4' energy: -71.393 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -84.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1047.990036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.990036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.990036 (E_RNA) where: Base-Base interactions energy: -693.527 where: short stacking energy: -330.040 Base-Backbone interact. energy: -1.579 local terms energy: -352.884594 where: bonds (distance) C4'-P energy: -67.601 bonds (distance) P-C4' energy: -65.384 flat angles C4'-P-C4' energy: -78.275 flat angles P-C4'-P energy: -50.046 tors. eta vs tors. theta energy: -91.579 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: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1002.603195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.603195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.603195 (E_RNA) where: Base-Base interactions energy: -659.151 where: short stacking energy: -295.504 Base-Backbone interact. energy: -1.454 local terms energy: -341.998225 where: bonds (distance) C4'-P energy: -72.323 bonds (distance) P-C4' energy: -71.661 flat angles C4'-P-C4' energy: -75.407 flat angles P-C4'-P energy: -34.985 tors. eta vs tors. theta energy: -87.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1000.546489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.546489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.546489 (E_RNA) where: Base-Base interactions energy: -664.352 where: short stacking energy: -290.947 Base-Backbone interact. energy: -0.034 local terms energy: -336.160096 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -74.595 flat angles C4'-P-C4' energy: -72.453 flat angles P-C4'-P energy: -48.348 tors. eta vs tors. theta energy: -75.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -904.051311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.051311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.051311 (E_RNA) where: Base-Base interactions energy: -581.931 where: short stacking energy: -258.100 Base-Backbone interact. energy: -0.665 local terms energy: -321.455962 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -67.696 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: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -845.274350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.274350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.274350 (E_RNA) where: Base-Base interactions energy: -561.849 where: short stacking energy: -262.948 Base-Backbone interact. energy: 1.781 local terms energy: -285.205639 where: bonds (distance) C4'-P energy: -59.772 bonds (distance) P-C4' energy: -60.462 flat angles C4'-P-C4' energy: -50.827 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: -68.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -786.401826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.401826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.401826 (E_RNA) where: Base-Base interactions energy: -511.677 where: short stacking energy: -227.344 Base-Backbone interact. energy: 1.482 local terms energy: -276.206455 where: bonds (distance) C4'-P energy: -59.144 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -61.590 flat angles P-C4'-P energy: -42.085 tors. eta vs tors. theta energy: -44.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -463.035643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.035643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.035643 (E_RNA) where: Base-Base interactions energy: -244.447 where: short stacking energy: -115.343 Base-Backbone interact. energy: 0.663 local terms energy: -219.252472 where: bonds (distance) C4'-P energy: -54.864 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -50.106 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -7.382 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: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -298.496190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.496190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.496190 (E_RNA) where: Base-Base interactions energy: -122.509 where: short stacking energy: -104.513 Base-Backbone interact. energy: 1.801 local terms energy: -177.787714 where: bonds (distance) C4'-P energy: -50.090 bonds (distance) P-C4' energy: -54.115 flat angles C4'-P-C4' energy: -53.766 flat angles P-C4'-P energy: -30.856 tors. eta vs tors. theta energy: 11.040 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: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -274.118189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.118189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.118189 (E_RNA) where: Base-Base interactions energy: -95.855 where: short stacking energy: -64.936 Base-Backbone interact. energy: -0.073 local terms energy: -178.190116 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -58.982 flat angles C4'-P-C4' energy: -47.513 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: 17.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1114.529493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.529493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.529493 (E_RNA) where: Base-Base interactions energy: -751.827 where: short stacking energy: -328.492 Base-Backbone interact. energy: -2.851 local terms energy: -359.851834 where: bonds (distance) C4'-P energy: -72.018 bonds (distance) P-C4' energy: -73.309 flat angles C4'-P-C4' energy: -75.735 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -90.153 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: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1073.451113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.451113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.451113 (E_RNA) where: Base-Base interactions energy: -730.485 where: short stacking energy: -345.704 Base-Backbone interact. energy: 0.777 local terms energy: -343.743593 where: bonds (distance) C4'-P energy: -67.479 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -67.508 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -99.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1029.663661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.663661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.663661 (E_RNA) where: Base-Base interactions energy: -675.302 where: short stacking energy: -315.043 Base-Backbone interact. energy: -0.894 local terms energy: -353.468083 where: bonds (distance) C4'-P energy: -65.839 bonds (distance) P-C4' energy: -79.298 flat angles C4'-P-C4' energy: -76.376 flat angles P-C4'-P energy: -36.803 tors. eta vs tors. theta energy: -95.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1008.343764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.343764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.343764 (E_RNA) where: Base-Base interactions energy: -682.197 where: short stacking energy: -303.649 Base-Backbone interact. energy: -1.054 local terms energy: -325.092450 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -73.207 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: -81.744 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: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -905.632219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.632219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.632219 (E_RNA) where: Base-Base interactions energy: -585.989 where: short stacking energy: -264.758 Base-Backbone interact. energy: -1.235 local terms energy: -318.408034 where: bonds (distance) C4'-P energy: -55.813 bonds (distance) P-C4' energy: -72.697 flat angles C4'-P-C4' energy: -58.585 flat angles P-C4'-P energy: -50.559 tors. eta vs tors. theta energy: -80.754 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: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -794.720259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.720259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.720259 (E_RNA) where: Base-Base interactions energy: -525.983 where: short stacking energy: -230.616 Base-Backbone interact. energy: -0.748 local terms energy: -267.989943 where: bonds (distance) C4'-P energy: -55.885 bonds (distance) P-C4' energy: -59.378 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -33.763 tors. eta vs tors. theta energy: -49.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -837.485709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.485709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.485709 (E_RNA) where: Base-Base interactions energy: -551.852 where: short stacking energy: -249.541 Base-Backbone interact. energy: -1.227 local terms energy: -284.406177 where: bonds (distance) C4'-P energy: -67.019 bonds (distance) P-C4' energy: -57.175 flat angles C4'-P-C4' energy: -53.453 flat angles P-C4'-P energy: -39.224 tors. eta vs tors. theta energy: -67.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -451.433297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.433297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.433297 (E_RNA) where: Base-Base interactions energy: -254.111 where: short stacking energy: -143.953 Base-Backbone interact. energy: -2.415 local terms energy: -194.907279 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -51.262 flat angles C4'-P-C4' energy: -47.532 flat angles P-C4'-P energy: -23.877 tors. eta vs tors. theta energy: -13.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -317.721257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.721257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.721257 (E_RNA) where: Base-Base interactions energy: -121.866 where: short stacking energy: -103.219 Base-Backbone interact. energy: -0.410 local terms energy: -195.445554 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -66.469 flat angles C4'-P-C4' energy: -51.244 flat angles P-C4'-P energy: -22.718 tors. eta vs tors. theta energy: 0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -291.845616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.845616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.845616 (E_RNA) where: Base-Base interactions energy: -98.768 where: short stacking energy: -77.052 Base-Backbone interact. energy: 0.901 local terms energy: -193.979200 where: bonds (distance) C4'-P energy: -55.897 bonds (distance) P-C4' energy: -52.235 flat angles C4'-P-C4' energy: -42.947 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1123.862861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.862861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.862861 (E_RNA) where: Base-Base interactions energy: -767.554 where: short stacking energy: -326.606 Base-Backbone interact. energy: 3.330 local terms energy: -359.638406 where: bonds (distance) C4'-P energy: -67.519 bonds (distance) P-C4' energy: -72.100 flat angles C4'-P-C4' energy: -80.148 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -87.582 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: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1060.164046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.164046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.164046 (E_RNA) where: Base-Base interactions energy: -700.726 where: short stacking energy: -340.655 Base-Backbone interact. energy: -0.562 local terms energy: -358.876266 where: bonds (distance) C4'-P energy: -55.485 bonds (distance) P-C4' energy: -65.636 flat angles C4'-P-C4' energy: -79.909 flat angles P-C4'-P energy: -54.196 tors. eta vs tors. theta energy: -103.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1032.949153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.949153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.949153 (E_RNA) where: Base-Base interactions energy: -659.274 where: short stacking energy: -319.005 Base-Backbone interact. energy: -1.283 local terms energy: -372.392073 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -70.725 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -42.911 tors. eta vs tors. theta energy: -96.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -948.922124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.922124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.922124 (E_RNA) where: Base-Base interactions energy: -623.092 where: short stacking energy: -265.931 Base-Backbone interact. energy: -1.566 local terms energy: -324.263895 where: bonds (distance) C4'-P energy: -62.133 bonds (distance) P-C4' energy: -73.755 flat angles C4'-P-C4' energy: -77.120 flat angles P-C4'-P energy: -47.609 tors. eta vs tors. theta energy: -63.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -916.496039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.496039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.496039 (E_RNA) where: Base-Base interactions energy: -581.661 where: short stacking energy: -275.797 Base-Backbone interact. energy: -2.133 local terms energy: -332.702279 where: bonds (distance) C4'-P energy: -63.264 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -67.681 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -86.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -807.603496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.603496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.603496 (E_RNA) where: Base-Base interactions energy: -524.879 where: short stacking energy: -240.043 Base-Backbone interact. energy: -0.735 local terms energy: -281.989600 where: bonds (distance) C4'-P energy: -58.122 bonds (distance) P-C4' energy: -66.675 flat angles C4'-P-C4' energy: -60.290 flat angles P-C4'-P energy: -38.866 tors. eta vs tors. theta energy: -58.037 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: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -772.165756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.165756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.165756 (E_RNA) where: Base-Base interactions energy: -514.486 where: short stacking energy: -218.171 Base-Backbone interact. energy: -1.155 local terms energy: -256.524793 where: bonds (distance) C4'-P energy: -48.494 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -32.591 tors. eta vs tors. theta energy: -44.817 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -505.074659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.074659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.074659 (E_RNA) where: Base-Base interactions energy: -268.742 where: short stacking energy: -126.716 Base-Backbone interact. energy: -0.625 local terms energy: -235.707994 where: bonds (distance) C4'-P energy: -64.085 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -62.764 flat angles P-C4'-P energy: -28.323 tors. eta vs tors. theta energy: -21.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -307.290788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.290788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.290788 (E_RNA) where: Base-Base interactions energy: -108.639 where: short stacking energy: -101.223 Base-Backbone interact. energy: 0.545 local terms energy: -199.197593 where: bonds (distance) C4'-P energy: -64.690 bonds (distance) P-C4' energy: -57.946 flat angles C4'-P-C4' energy: -58.621 flat angles P-C4'-P energy: -21.882 tors. eta vs tors. theta energy: 3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -289.384517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.384517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.384517 (E_RNA) where: Base-Base interactions energy: -108.352 where: short stacking energy: -86.869 Base-Backbone interact. energy: 0.995 local terms energy: -182.026761 where: bonds (distance) C4'-P energy: -49.184 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -58.096 flat angles P-C4'-P energy: -31.374 tors. eta vs tors. theta energy: 11.649 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: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1148.214149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.214149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.214149 (E_RNA) where: Base-Base interactions energy: -787.087 where: short stacking energy: -345.904 Base-Backbone interact. energy: -1.125 local terms energy: -360.002212 where: bonds (distance) C4'-P energy: -57.376 bonds (distance) P-C4' energy: -74.610 flat angles C4'-P-C4' energy: -77.467 flat angles P-C4'-P energy: -49.116 tors. eta vs tors. theta energy: -101.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1063.189500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.189500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.189500 (E_RNA) where: Base-Base interactions energy: -688.444 where: short stacking energy: -324.868 Base-Backbone interact. energy: -0.129 local terms energy: -374.617108 where: bonds (distance) C4'-P energy: -72.564 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -78.838 flat angles P-C4'-P energy: -54.946 tors. eta vs tors. theta energy: -97.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1048.178973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.178973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.178973 (E_RNA) where: Base-Base interactions energy: -717.088 where: short stacking energy: -307.423 Base-Backbone interact. energy: -1.111 local terms energy: -329.980341 where: bonds (distance) C4'-P energy: -56.582 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -38.513 tors. eta vs tors. theta energy: -89.939 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: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -937.586128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.586128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.586128 (E_RNA) where: Base-Base interactions energy: -624.689 where: short stacking energy: -262.104 Base-Backbone interact. energy: -0.652 local terms energy: -312.246096 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -71.928 flat angles P-C4'-P energy: -46.341 tors. eta vs tors. theta energy: -61.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -931.414542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.414542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.414542 (E_RNA) where: Base-Base interactions energy: -632.515 where: short stacking energy: -301.633 Base-Backbone interact. energy: -0.541 local terms energy: -298.358912 where: bonds (distance) C4'-P energy: -71.155 bonds (distance) P-C4' energy: -42.497 flat angles C4'-P-C4' energy: -62.922 flat angles P-C4'-P energy: -35.540 tors. eta vs tors. theta energy: -86.244 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: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -797.661010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.661010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.661010 (E_RNA) where: Base-Base interactions energy: -517.067 where: short stacking energy: -222.873 Base-Backbone interact. energy: 0.979 local terms energy: -281.572758 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -56.640 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -43.050 tors. eta vs tors. theta energy: -59.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -754.453945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.453945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.453945 (E_RNA) where: Base-Base interactions energy: -502.072 where: short stacking energy: -203.627 Base-Backbone interact. energy: 3.165 local terms energy: -255.546608 where: bonds (distance) C4'-P energy: -59.334 bonds (distance) P-C4' energy: -67.167 flat angles C4'-P-C4' energy: -64.317 flat angles P-C4'-P energy: -31.802 tors. eta vs tors. theta energy: -32.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -540.810148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.810148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.810148 (E_RNA) where: Base-Base interactions energy: -312.847 where: short stacking energy: -149.562 Base-Backbone interact. energy: -0.914 local terms energy: -227.049148 where: bonds (distance) C4'-P energy: -53.826 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -54.348 flat angles P-C4'-P energy: -36.973 tors. eta vs tors. theta energy: -15.602 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: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -312.303399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.303399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.303399 (E_RNA) where: Base-Base interactions energy: -95.137 where: short stacking energy: -84.746 Base-Backbone interact. energy: 0.612 local terms energy: -217.778860 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -56.028 flat angles C4'-P-C4' energy: -61.687 flat angles P-C4'-P energy: -33.157 tors. eta vs tors. theta energy: -8.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -281.995010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.995010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.995010 (E_RNA) where: Base-Base interactions energy: -91.402 where: short stacking energy: -66.737 Base-Backbone interact. energy: -0.032 local terms energy: -190.560467 where: bonds (distance) C4'-P energy: -61.551 bonds (distance) P-C4' energy: -61.095 flat angles C4'-P-C4' energy: -54.788 flat angles P-C4'-P energy: -26.932 tors. eta vs tors. theta energy: 13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1137.087958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.087958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.087958 (E_RNA) where: Base-Base interactions energy: -779.900 where: short stacking energy: -322.273 Base-Backbone interact. energy: -1.846 local terms energy: -355.341410 where: bonds (distance) C4'-P energy: -69.874 bonds (distance) P-C4' energy: -66.449 flat angles C4'-P-C4' energy: -77.909 flat angles P-C4'-P energy: -49.308 tors. eta vs tors. theta energy: -91.802 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: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1039.890446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.890446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.890446 (E_RNA) where: Base-Base interactions energy: -685.968 where: short stacking energy: -348.862 Base-Backbone interact. energy: -1.076 local terms energy: -352.846785 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -72.444 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -93.586 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: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1062.315961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.315961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.315961 (E_RNA) where: Base-Base interactions energy: -699.915 where: short stacking energy: -333.414 Base-Backbone interact. energy: -1.061 local terms energy: -361.339705 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -68.939 flat angles C4'-P-C4' energy: -81.159 flat angles P-C4'-P energy: -56.090 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: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -971.692578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.692578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.692578 (E_RNA) where: Base-Base interactions energy: -633.816 where: short stacking energy: -278.275 Base-Backbone interact. energy: -0.914 local terms energy: -336.962970 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -69.914 flat angles C4'-P-C4' energy: -70.914 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: -76.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -923.630157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.630157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.630157 (E_RNA) where: Base-Base interactions energy: -611.908 where: short stacking energy: -285.066 Base-Backbone interact. energy: -1.402 local terms energy: -310.320574 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -64.770 flat angles C4'-P-C4' energy: -61.968 flat angles P-C4'-P energy: -42.648 tors. eta vs tors. theta energy: -84.127 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: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -844.042969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.042969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.042969 (E_RNA) where: Base-Base interactions energy: -555.265 where: short stacking energy: -230.883 Base-Backbone interact. energy: -0.853 local terms energy: -287.925406 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -59.268 flat angles C4'-P-C4' energy: -70.855 flat angles P-C4'-P energy: -48.241 tors. eta vs tors. theta energy: -53.132 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: 386 Temperature: 1.200000 Total energy: -765.415753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.415753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.415753 (E_RNA) where: Base-Base interactions energy: -504.804 where: short stacking energy: -222.509 Base-Backbone interact. energy: -1.052 local terms energy: -259.559644 where: bonds (distance) C4'-P energy: -58.056 bonds (distance) P-C4' energy: -59.296 flat angles C4'-P-C4' energy: -59.988 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -46.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -531.472607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.472607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.472607 (E_RNA) where: Base-Base interactions energy: -305.596 where: short stacking energy: -154.295 Base-Backbone interact. energy: 0.109 local terms energy: -225.986316 where: bonds (distance) C4'-P energy: -55.265 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -58.914 flat angles P-C4'-P energy: -26.527 tors. eta vs tors. theta energy: -23.165 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: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -311.319466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.319466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.319466 (E_RNA) where: Base-Base interactions energy: -122.343 where: short stacking energy: -104.150 Base-Backbone interact. energy: 0.916 local terms energy: -189.893011 where: bonds (distance) C4'-P energy: -48.181 bonds (distance) P-C4' energy: -55.728 flat angles C4'-P-C4' energy: -48.803 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: 1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -295.923159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.923159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.923159 (E_RNA) where: Base-Base interactions energy: -97.598 where: short stacking energy: -90.880 Base-Backbone interact. energy: 0.573 local terms energy: -198.897330 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -73.608 flat angles C4'-P-C4' energy: -45.280 flat angles P-C4'-P energy: -24.438 tors. eta vs tors. theta energy: 2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1098.935985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.935985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.935985 (E_RNA) where: Base-Base interactions energy: -728.864 where: short stacking energy: -316.587 Base-Backbone interact. energy: 0.308 local terms energy: -370.380634 where: bonds (distance) C4'-P energy: -72.921 bonds (distance) P-C4' energy: -72.622 flat angles C4'-P-C4' energy: -80.047 flat angles P-C4'-P energy: -48.984 tors. eta vs tors. theta energy: -95.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1045.596699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.596699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.596699 (E_RNA) where: Base-Base interactions energy: -699.211 where: short stacking energy: -312.911 Base-Backbone interact. energy: -1.357 local terms energy: -345.029093 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -64.895 flat angles C4'-P-C4' energy: -83.013 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -89.168 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: 3, replica: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1053.429047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.429047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.429047 (E_RNA) where: Base-Base interactions energy: -706.870 where: short stacking energy: -324.280 Base-Backbone interact. energy: -2.307 local terms energy: -344.251995 where: bonds (distance) C4'-P energy: -65.821 bonds (distance) P-C4' energy: -66.826 flat angles C4'-P-C4' energy: -74.571 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -91.434 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: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -942.349962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.349962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.349962 (E_RNA) where: Base-Base interactions energy: -626.365 where: short stacking energy: -291.701 Base-Backbone interact. energy: 1.379 local terms energy: -317.363759 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -39.352 tors. eta vs tors. theta energy: -80.391 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: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -915.603188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.603188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.603188 (E_RNA) where: Base-Base interactions energy: -595.199 where: short stacking energy: -277.549 Base-Backbone interact. energy: -1.361 local terms energy: -319.042425 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -35.213 tors. eta vs tors. theta energy: -75.425 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: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -839.266576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.266576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.266576 (E_RNA) where: Base-Base interactions energy: -558.384 where: short stacking energy: -238.242 Base-Backbone interact. energy: -2.107 local terms energy: -278.775961 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -59.538 flat angles C4'-P-C4' energy: -55.421 flat angles P-C4'-P energy: -44.586 tors. eta vs tors. theta energy: -59.535 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: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -765.799353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.799353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.799353 (E_RNA) where: Base-Base interactions energy: -508.117 where: short stacking energy: -233.651 Base-Backbone interact. energy: 2.476 local terms energy: -260.158654 where: bonds (distance) C4'-P energy: -56.901 bonds (distance) P-C4' energy: -57.336 flat angles C4'-P-C4' energy: -60.267 flat angles P-C4'-P energy: -29.246 tors. eta vs tors. theta energy: -56.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -560.493671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.493671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.493671 (E_RNA) where: Base-Base interactions energy: -337.669 where: short stacking energy: -159.481 Base-Backbone interact. energy: 1.750 local terms energy: -224.575306 where: bonds (distance) C4'-P energy: -49.080 bonds (distance) P-C4' energy: -57.391 flat angles C4'-P-C4' energy: -52.184 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -316.212593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.212593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.212593 (E_RNA) where: Base-Base interactions energy: -111.806 where: short stacking energy: -96.888 Base-Backbone interact. energy: 1.654 local terms energy: -206.060532 where: bonds (distance) C4'-P energy: -56.731 bonds (distance) P-C4' energy: -69.043 flat angles C4'-P-C4' energy: -53.530 flat angles P-C4'-P energy: -21.772 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -301.741809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.741809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.741809 (E_RNA) where: Base-Base interactions energy: -99.297 where: short stacking energy: -83.406 Base-Backbone interact. energy: -1.724 local terms energy: -200.720484 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -49.665 flat angles C4'-P-C4' energy: -59.144 flat angles P-C4'-P energy: -29.400 tors. eta vs tors. theta energy: -9.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1125.889203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.889203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.889203 (E_RNA) where: Base-Base interactions energy: -768.387 where: short stacking energy: -323.082 Base-Backbone interact. energy: -1.767 local terms energy: -355.735327 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -52.339 tors. eta vs tors. theta energy: -94.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1013.631671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.631671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.631671 (E_RNA) where: Base-Base interactions energy: -680.208 where: short stacking energy: -300.660 Base-Backbone interact. energy: -1.759 local terms energy: -331.664895 where: bonds (distance) C4'-P energy: -55.211 bonds (distance) P-C4' energy: -65.973 flat angles C4'-P-C4' energy: -76.260 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -81.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1058.521385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.521385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.521385 (E_RNA) where: Base-Base interactions energy: -702.998 where: short stacking energy: -321.133 Base-Backbone interact. energy: -0.418 local terms energy: -355.105457 where: bonds (distance) C4'-P energy: -60.794 bonds (distance) P-C4' energy: -69.663 flat angles C4'-P-C4' energy: -71.581 flat angles P-C4'-P energy: -60.683 tors. eta vs tors. theta energy: -92.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -923.593962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.593962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.593962 (E_RNA) where: Base-Base interactions energy: -620.650 where: short stacking energy: -287.887 Base-Backbone interact. energy: 1.498 local terms energy: -304.441675 where: bonds (distance) C4'-P energy: -57.649 bonds (distance) P-C4' energy: -62.081 flat angles C4'-P-C4' energy: -70.601 flat angles P-C4'-P energy: -38.929 tors. eta vs tors. theta energy: -75.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -905.405992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.405992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.405992 (E_RNA) where: Base-Base interactions energy: -595.342 where: short stacking energy: -268.861 Base-Backbone interact. energy: -1.338 local terms energy: -308.725934 where: bonds (distance) C4'-P energy: -45.477 bonds (distance) P-C4' energy: -65.175 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -41.962 tors. eta vs tors. theta energy: -80.388 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: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -834.829828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.829828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.829828 (E_RNA) where: Base-Base interactions energy: -536.768 where: short stacking energy: -249.292 Base-Backbone interact. energy: -0.721 local terms energy: -297.340830 where: bonds (distance) C4'-P energy: -49.052 bonds (distance) P-C4' energy: -74.040 flat angles C4'-P-C4' energy: -61.558 flat angles P-C4'-P energy: -40.468 tors. eta vs tors. theta energy: -72.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -795.858086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.858086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.858086 (E_RNA) where: Base-Base interactions energy: -515.902 where: short stacking energy: -223.856 Base-Backbone interact. energy: -0.080 local terms energy: -279.876115 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -74.070 flat angles C4'-P-C4' energy: -66.539 flat angles P-C4'-P energy: -24.777 tors. eta vs tors. theta energy: -59.811 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: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -567.150487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.150487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.150487 (E_RNA) where: Base-Base interactions energy: -339.431 where: short stacking energy: -186.898 Base-Backbone interact. energy: -0.501 local terms energy: -227.218776 where: bonds (distance) C4'-P energy: -49.475 bonds (distance) P-C4' energy: -51.577 flat angles C4'-P-C4' energy: -59.436 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: -27.861 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: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -315.779156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.779156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.779156 (E_RNA) where: Base-Base interactions energy: -103.971 where: short stacking energy: -90.139 Base-Backbone interact. energy: -0.918 local terms energy: -210.889701 where: bonds (distance) C4'-P energy: -60.828 bonds (distance) P-C4' energy: -63.692 flat angles C4'-P-C4' energy: -49.597 flat angles P-C4'-P energy: -33.508 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -295.027168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.027168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.027168 (E_RNA) where: Base-Base interactions energy: -114.664 where: short stacking energy: -102.327 Base-Backbone interact. energy: -1.065 local terms energy: -179.297876 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -56.772 flat angles C4'-P-C4' energy: -54.685 flat angles P-C4'-P energy: -24.049 tors. eta vs tors. theta energy: 5.258 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: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1130.063875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.063875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.063875 (E_RNA) where: Base-Base interactions energy: -775.206 where: short stacking energy: -323.152 Base-Backbone interact. energy: -1.957 local terms energy: -352.900860 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -72.984 flat angles C4'-P-C4' energy: -74.814 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -100.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1125.137031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.137031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.137031 (E_RNA) where: Base-Base interactions energy: -740.556 where: short stacking energy: -339.593 Base-Backbone interact. energy: -0.544 local terms energy: -384.037037 where: bonds (distance) C4'-P energy: -69.653 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -83.577 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -104.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1029.551449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.551449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.551449 (E_RNA) where: Base-Base interactions energy: -677.714 where: short stacking energy: -304.523 Base-Backbone interact. energy: -2.428 local terms energy: -349.409920 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -68.123 flat angles C4'-P-C4' energy: -74.719 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -92.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -952.655639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.655639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.655639 (E_RNA) where: Base-Base interactions energy: -631.231 where: short stacking energy: -303.749 Base-Backbone interact. energy: -0.344 local terms energy: -321.081121 where: bonds (distance) C4'-P energy: -57.596 bonds (distance) P-C4' energy: -61.007 flat angles C4'-P-C4' energy: -72.813 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -87.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -933.583606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.583606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.583606 (E_RNA) where: Base-Base interactions energy: -610.922 where: short stacking energy: -273.301 Base-Backbone interact. energy: 0.018 local terms energy: -322.679599 where: bonds (distance) C4'-P energy: -59.287 bonds (distance) P-C4' energy: -63.054 flat angles C4'-P-C4' energy: -76.707 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: -82.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -802.996155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.996155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.996155 (E_RNA) where: Base-Base interactions energy: -517.649 where: short stacking energy: -235.186 Base-Backbone interact. energy: -1.622 local terms energy: -283.724894 where: bonds (distance) C4'-P energy: -60.839 bonds (distance) P-C4' energy: -60.842 flat angles C4'-P-C4' energy: -57.798 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -62.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -764.245010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.245010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.245010 (E_RNA) where: Base-Base interactions energy: -492.746 where: short stacking energy: -200.494 Base-Backbone interact. energy: -1.085 local terms energy: -270.413550 where: bonds (distance) C4'-P energy: -51.925 bonds (distance) P-C4' energy: -67.296 flat angles C4'-P-C4' energy: -58.383 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -50.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -577.315935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.315935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.315935 (E_RNA) where: Base-Base interactions energy: -325.578 where: short stacking energy: -175.916 Base-Backbone interact. energy: 1.361 local terms energy: -253.098901 where: bonds (distance) C4'-P energy: -55.103 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -47.069 tors. eta vs tors. theta energy: -29.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -320.249364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.249364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.249364 (E_RNA) where: Base-Base interactions energy: -119.462 where: short stacking energy: -96.812 Base-Backbone interact. energy: -0.874 local terms energy: -199.913340 where: bonds (distance) C4'-P energy: -64.792 bonds (distance) P-C4' energy: -60.595 flat angles C4'-P-C4' energy: -50.795 flat angles P-C4'-P energy: -28.023 tors. eta vs tors. theta energy: 4.291 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: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -303.229071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.229071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.229071 (E_RNA) where: Base-Base interactions energy: -129.940 where: short stacking energy: -68.283 Base-Backbone interact. energy: 2.806 local terms energy: -176.095579 where: bonds (distance) C4'-P energy: -61.300 bonds (distance) P-C4' energy: -59.645 flat angles C4'-P-C4' energy: -46.063 flat angles P-C4'-P energy: -25.858 tors. eta vs tors. theta energy: 16.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1101.596132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.596132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.596132 (E_RNA) where: Base-Base interactions energy: -733.687 where: short stacking energy: -347.118 Base-Backbone interact. energy: -0.499 local terms energy: -367.410700 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -83.753 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -99.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1087.177544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.177544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.177544 (E_RNA) where: Base-Base interactions energy: -752.151 where: short stacking energy: -315.472 Base-Backbone interact. energy: 0.588 local terms energy: -335.614454 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -69.823 flat angles C4'-P-C4' energy: -68.014 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -90.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1054.808641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.808641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.808641 (E_RNA) where: Base-Base interactions energy: -698.551 where: short stacking energy: -336.622 Base-Backbone interact. energy: -0.892 local terms energy: -355.365767 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -76.370 flat angles C4'-P-C4' energy: -76.187 flat angles P-C4'-P energy: -45.218 tors. eta vs tors. theta energy: -92.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -963.296347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.296347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.296347 (E_RNA) where: Base-Base interactions energy: -629.338 where: short stacking energy: -282.840 Base-Backbone interact. energy: -2.387 local terms energy: -331.571363 where: bonds (distance) C4'-P energy: -65.405 bonds (distance) P-C4' energy: -66.448 flat angles C4'-P-C4' energy: -73.890 flat angles P-C4'-P energy: -42.032 tors. eta vs tors. theta energy: -83.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -919.641645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.641645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.641645 (E_RNA) where: Base-Base interactions energy: -599.899 where: short stacking energy: -265.309 Base-Backbone interact. energy: -2.551 local terms energy: -317.191559 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -74.796 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -70.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -831.916514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.916514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.916514 (E_RNA) where: Base-Base interactions energy: -529.713 where: short stacking energy: -271.383 Base-Backbone interact. energy: -0.498 local terms energy: -301.705974 where: bonds (distance) C4'-P energy: -65.382 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -64.264 flat angles P-C4'-P energy: -35.004 tors. eta vs tors. theta energy: -62.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -769.221622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.221622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.221622 (E_RNA) where: Base-Base interactions energy: -517.367 where: short stacking energy: -220.681 Base-Backbone interact. energy: 3.089 local terms energy: -254.943937 where: bonds (distance) C4'-P energy: -59.725 bonds (distance) P-C4' energy: -57.189 flat angles C4'-P-C4' energy: -42.913 flat angles P-C4'-P energy: -34.766 tors. eta vs tors. theta energy: -60.351 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: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -580.479079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.479079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.479079 (E_RNA) where: Base-Base interactions energy: -343.160 where: short stacking energy: -179.570 Base-Backbone interact. energy: -0.979 local terms energy: -236.340197 where: bonds (distance) C4'-P energy: -51.948 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -64.980 flat angles P-C4'-P energy: -27.455 tors. eta vs tors. theta energy: -34.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -371.488154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.488154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.488154 (E_RNA) where: Base-Base interactions energy: -180.641 where: short stacking energy: -106.230 Base-Backbone interact. energy: 1.310 local terms energy: -192.157543 where: bonds (distance) C4'-P energy: -46.184 bonds (distance) P-C4' energy: -65.367 flat angles C4'-P-C4' energy: -44.385 flat angles P-C4'-P energy: -25.795 tors. eta vs tors. theta energy: -10.427 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: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -299.165294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.165294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.165294 (E_RNA) where: Base-Base interactions energy: -112.132 where: short stacking energy: -109.427 Base-Backbone interact. energy: 1.173 local terms energy: -188.206624 where: bonds (distance) C4'-P energy: -48.970 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -38.595 flat angles P-C4'-P energy: -23.858 tors. eta vs tors. theta energy: -9.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1109.225250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.225250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.225250 (E_RNA) where: Base-Base interactions energy: -739.840 where: short stacking energy: -322.880 Base-Backbone interact. energy: -2.071 local terms energy: -367.314938 where: bonds (distance) C4'-P energy: -67.338 bonds (distance) P-C4' energy: -67.822 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -55.753 tors. eta vs tors. theta energy: -98.852 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: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1101.590123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.590123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.590123 (E_RNA) where: Base-Base interactions energy: -753.544 where: short stacking energy: -309.561 Base-Backbone interact. energy: 2.125 local terms energy: -350.171138 where: bonds (distance) C4'-P energy: -68.811 bonds (distance) P-C4' energy: -71.367 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -46.440 tors. eta vs tors. theta energy: -91.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1010.870868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.870868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.870868 (E_RNA) where: Base-Base interactions energy: -674.991 where: short stacking energy: -293.127 Base-Backbone interact. energy: -0.831 local terms energy: -335.048768 where: bonds (distance) C4'-P energy: -60.103 bonds (distance) P-C4' energy: -66.474 flat angles C4'-P-C4' energy: -71.457 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: -85.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -950.908097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.908097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.908097 (E_RNA) where: Base-Base interactions energy: -615.239 where: short stacking energy: -294.941 Base-Backbone interact. energy: -0.444 local terms energy: -335.225373 where: bonds (distance) C4'-P energy: -65.161 bonds (distance) P-C4' energy: -61.128 flat angles C4'-P-C4' energy: -73.753 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: -87.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -897.470528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.470528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.470528 (E_RNA) where: Base-Base interactions energy: -579.458 where: short stacking energy: -260.063 Base-Backbone interact. energy: 0.190 local terms energy: -318.201934 where: bonds (distance) C4'-P energy: -62.534 bonds (distance) P-C4' energy: -64.338 flat angles C4'-P-C4' energy: -79.939 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: -64.222 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: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -794.838865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.838865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.838865 (E_RNA) where: Base-Base interactions energy: -506.362 where: short stacking energy: -251.048 Base-Backbone interact. energy: -2.564 local terms energy: -285.913138 where: bonds (distance) C4'-P energy: -62.937 bonds (distance) P-C4' energy: -53.042 flat angles C4'-P-C4' energy: -67.592 flat angles P-C4'-P energy: -35.595 tors. eta vs tors. theta energy: -66.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -766.448341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.448341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.448341 (E_RNA) where: Base-Base interactions energy: -489.214 where: short stacking energy: -228.561 Base-Backbone interact. energy: -3.138 local terms energy: -274.096587 where: bonds (distance) C4'-P energy: -68.359 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -63.480 flat angles P-C4'-P energy: -35.112 tors. eta vs tors. theta energy: -44.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -547.775787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.775787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.775787 (E_RNA) where: Base-Base interactions energy: -305.190 where: short stacking energy: -162.672 Base-Backbone interact. energy: -2.358 local terms energy: -240.228209 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -22.346 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: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -303.482383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.482383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.482383 (E_RNA) where: Base-Base interactions energy: -150.559 where: short stacking energy: -93.970 Base-Backbone interact. energy: 4.317 local terms energy: -157.240228 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -52.444 flat angles C4'-P-C4' energy: -46.201 flat angles P-C4'-P energy: -19.259 tors. eta vs tors. theta energy: 17.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -330.072620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.072620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.072620 (E_RNA) where: Base-Base interactions energy: -145.572 where: short stacking energy: -78.805 Base-Backbone interact. energy: -0.712 local terms energy: -183.788640 where: bonds (distance) C4'-P energy: -50.244 bonds (distance) P-C4' energy: -54.823 flat angles C4'-P-C4' energy: -54.771 flat angles P-C4'-P energy: -22.829 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1114.240580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.240580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.240580 (E_RNA) where: Base-Base interactions energy: -751.607 where: short stacking energy: -310.809 Base-Backbone interact. energy: -1.094 local terms energy: -361.539275 where: bonds (distance) C4'-P energy: -65.024 bonds (distance) P-C4' energy: -79.349 flat angles C4'-P-C4' energy: -77.777 flat angles P-C4'-P energy: -51.332 tors. eta vs tors. theta energy: -88.058 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: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1077.300948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.300948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.300948 (E_RNA) where: Base-Base interactions energy: -714.767 where: short stacking energy: -330.092 Base-Backbone interact. energy: -1.888 local terms energy: -360.646016 where: bonds (distance) C4'-P energy: -69.541 bonds (distance) P-C4' energy: -71.171 flat angles C4'-P-C4' energy: -77.535 flat angles P-C4'-P energy: -44.646 tors. eta vs tors. theta energy: -97.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1035.655211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.655211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.655211 (E_RNA) where: Base-Base interactions energy: -694.442 where: short stacking energy: -313.038 Base-Backbone interact. energy: -2.947 local terms energy: -338.266553 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -67.527 flat angles C4'-P-C4' energy: -74.679 flat angles P-C4'-P energy: -44.737 tors. eta vs tors. theta energy: -87.029 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: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -970.216107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.216107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.216107 (E_RNA) where: Base-Base interactions energy: -639.755 where: short stacking energy: -296.155 Base-Backbone interact. energy: -0.361 local terms energy: -330.099759 where: bonds (distance) C4'-P energy: -55.408 bonds (distance) P-C4' energy: -65.056 flat angles C4'-P-C4' energy: -77.944 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -84.272 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: 7 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -879.512397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.512397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.512397 (E_RNA) where: Base-Base interactions energy: -563.343 where: short stacking energy: -247.916 Base-Backbone interact. energy: 0.328 local terms energy: -316.497881 where: bonds (distance) C4'-P energy: -50.617 bonds (distance) P-C4' energy: -74.708 flat angles C4'-P-C4' energy: -71.147 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -74.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -816.653337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.653337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.653337 (E_RNA) where: Base-Base interactions energy: -535.776 where: short stacking energy: -259.922 Base-Backbone interact. energy: 0.562 local terms energy: -281.439774 where: bonds (distance) C4'-P energy: -47.994 bonds (distance) P-C4' energy: -54.238 flat angles C4'-P-C4' energy: -60.232 flat angles P-C4'-P energy: -55.572 tors. eta vs tors. theta energy: -63.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -822.272644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.272644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.272644 (E_RNA) where: Base-Base interactions energy: -536.249 where: short stacking energy: -235.916 Base-Backbone interact. energy: -0.930 local terms energy: -285.093246 where: bonds (distance) C4'-P energy: -57.118 bonds (distance) P-C4' energy: -43.890 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -50.805 tors. eta vs tors. theta energy: -65.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -570.276221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.276221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.276221 (E_RNA) where: Base-Base interactions energy: -345.934 where: short stacking energy: -173.799 Base-Backbone interact. energy: -0.195 local terms energy: -224.147403 where: bonds (distance) C4'-P energy: -51.386 bonds (distance) P-C4' energy: -60.011 flat angles C4'-P-C4' energy: -48.339 flat angles P-C4'-P energy: -28.037 tors. eta vs tors. theta energy: -36.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -294.504489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.504489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.504489 (E_RNA) where: Base-Base interactions energy: -120.094 where: short stacking energy: -101.147 Base-Backbone interact. energy: 1.149 local terms energy: -175.560317 where: bonds (distance) C4'-P energy: -56.689 bonds (distance) P-C4' energy: -59.111 flat angles C4'-P-C4' energy: -38.743 flat angles P-C4'-P energy: -27.361 tors. eta vs tors. theta energy: 6.342 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: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -312.193749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.193749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.193749 (E_RNA) where: Base-Base interactions energy: -114.405 where: short stacking energy: -82.875 Base-Backbone interact. energy: -0.619 local terms energy: -197.169865 where: bonds (distance) C4'-P energy: -52.744 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -55.614 flat angles P-C4'-P energy: -38.145 tors. eta vs tors. theta energy: 9.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1145.590191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.590191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.590191 (E_RNA) where: Base-Base interactions energy: -783.886 where: short stacking energy: -323.916 Base-Backbone interact. energy: -3.907 local terms energy: -357.796740 where: bonds (distance) C4'-P energy: -67.413 bonds (distance) P-C4' energy: -69.090 flat angles C4'-P-C4' energy: -78.436 flat angles P-C4'-P energy: -49.478 tors. eta vs tors. theta energy: -93.379 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: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1094.763571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.763571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.763571 (E_RNA) where: Base-Base interactions energy: -721.955 where: short stacking energy: -327.022 Base-Backbone interact. energy: -0.940 local terms energy: -371.868818 where: bonds (distance) C4'-P energy: -78.506 bonds (distance) P-C4' energy: -68.831 flat angles C4'-P-C4' energy: -73.973 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -94.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1019.807603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.807603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.807603 (E_RNA) where: Base-Base interactions energy: -689.075 where: short stacking energy: -314.430 Base-Backbone interact. energy: -0.342 local terms energy: -330.390678 where: bonds (distance) C4'-P energy: -59.933 bonds (distance) P-C4' energy: -60.524 flat angles C4'-P-C4' energy: -68.441 flat angles P-C4'-P energy: -47.667 tors. eta vs tors. theta energy: -93.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -957.399787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.399787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.399787 (E_RNA) where: Base-Base interactions energy: -618.022 where: short stacking energy: -282.333 Base-Backbone interact. energy: -1.606 local terms energy: -337.771990 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -67.546 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -89.703 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: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -929.315780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.315780 (E_RNA) where: Base-Base interactions energy: -608.189 where: short stacking energy: -278.589 Base-Backbone interact. energy: -0.583 local terms energy: -320.543717 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -65.525 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: -78.732 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: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -856.717215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.717215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.717215 (E_RNA) where: Base-Base interactions energy: -549.240 where: short stacking energy: -256.745 Base-Backbone interact. energy: -0.674 local terms energy: -306.802805 where: bonds (distance) C4'-P energy: -56.061 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -66.687 flat angles P-C4'-P energy: -42.190 tors. eta vs tors. theta energy: -81.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -799.061448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.061448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.061448 (E_RNA) where: Base-Base interactions energy: -531.986 where: short stacking energy: -246.176 Base-Backbone interact. energy: -0.654 local terms energy: -266.421437 where: bonds (distance) C4'-P energy: -47.210 bonds (distance) P-C4' energy: -51.278 flat angles C4'-P-C4' energy: -66.229 flat angles P-C4'-P energy: -46.664 tors. eta vs tors. theta energy: -55.040 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: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -567.690459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.690459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.690459 (E_RNA) where: Base-Base interactions energy: -325.499 where: short stacking energy: -162.210 Base-Backbone interact. energy: 1.642 local terms energy: -243.833249 where: bonds (distance) C4'-P energy: -63.333 bonds (distance) P-C4' energy: -61.007 flat angles C4'-P-C4' energy: -52.534 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: -26.758 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: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -338.934584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.934584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.934584 (E_RNA) where: Base-Base interactions energy: -126.894 where: short stacking energy: -115.459 Base-Backbone interact. energy: -0.386 local terms energy: -211.654761 where: bonds (distance) C4'-P energy: -50.013 bonds (distance) P-C4' energy: -65.301 flat angles C4'-P-C4' energy: -47.150 flat angles P-C4'-P energy: -41.368 tors. eta vs tors. theta energy: -7.823 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: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -288.388020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.388020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.388020 (E_RNA) where: Base-Base interactions energy: -97.465 where: short stacking energy: -84.727 Base-Backbone interact. energy: -0.765 local terms energy: -190.158301 where: bonds (distance) C4'-P energy: -54.973 bonds (distance) P-C4' energy: -63.458 flat angles C4'-P-C4' energy: -46.189 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: 10.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1142.181254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.181254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.181254 (E_RNA) where: Base-Base interactions energy: -799.004 where: short stacking energy: -314.238 Base-Backbone interact. energy: -4.501 local terms energy: -338.676111 where: bonds (distance) C4'-P energy: -59.278 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -64.956 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -90.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1072.361813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.361813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.361813 (E_RNA) where: Base-Base interactions energy: -718.780 where: short stacking energy: -334.762 Base-Backbone interact. energy: -1.103 local terms energy: -352.478972 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -96.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1028.806114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.806114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.806114 (E_RNA) where: Base-Base interactions energy: -688.833 where: short stacking energy: -310.728 Base-Backbone interact. energy: 1.559 local terms energy: -341.531543 where: bonds (distance) C4'-P energy: -61.844 bonds (distance) P-C4' energy: -61.729 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -48.145 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: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -926.229224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.229224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.229224 (E_RNA) where: Base-Base interactions energy: -615.697 where: short stacking energy: -277.423 Base-Backbone interact. energy: 1.447 local terms energy: -311.979927 where: bonds (distance) C4'-P energy: -61.977 bonds (distance) P-C4' energy: -59.350 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -76.245 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: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -889.818010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.818010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.818010 (E_RNA) where: Base-Base interactions energy: -576.294 where: short stacking energy: -275.849 Base-Backbone interact. energy: -0.854 local terms energy: -312.669425 where: bonds (distance) C4'-P energy: -62.949 bonds (distance) P-C4' energy: -60.256 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -78.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -840.422652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.422652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.422652 (E_RNA) where: Base-Base interactions energy: -536.782 where: short stacking energy: -247.523 Base-Backbone interact. energy: -2.526 local terms energy: -301.115012 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -62.495 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -40.975 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: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -818.597319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.597319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.597319 (E_RNA) where: Base-Base interactions energy: -532.249 where: short stacking energy: -248.060 Base-Backbone interact. energy: -0.391 local terms energy: -285.957521 where: bonds (distance) C4'-P energy: -51.707 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -69.231 flat angles P-C4'-P energy: -39.547 tors. eta vs tors. theta energy: -61.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -574.358708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.358708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.358708 (E_RNA) where: Base-Base interactions energy: -317.926 where: short stacking energy: -161.086 Base-Backbone interact. energy: -1.605 local terms energy: -254.828251 where: bonds (distance) C4'-P energy: -58.599 bonds (distance) P-C4' energy: -63.875 flat angles C4'-P-C4' energy: -64.290 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -25.532 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: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -323.772277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.772277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.772277 (E_RNA) where: Base-Base interactions energy: -109.666 where: short stacking energy: -99.573 Base-Backbone interact. energy: 0.711 local terms energy: -214.817100 where: bonds (distance) C4'-P energy: -64.957 bonds (distance) P-C4' energy: -58.063 flat angles C4'-P-C4' energy: -53.544 flat angles P-C4'-P energy: -30.889 tors. eta vs tors. theta energy: -7.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -301.157034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.157034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.157034 (E_RNA) where: Base-Base interactions energy: -122.237 where: short stacking energy: -79.536 Base-Backbone interact. energy: -1.497 local terms energy: -177.423033 where: bonds (distance) C4'-P energy: -57.182 bonds (distance) P-C4' energy: -53.847 flat angles C4'-P-C4' energy: -48.907 flat angles P-C4'-P energy: -29.315 tors. eta vs tors. theta energy: 11.828 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: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1162.356668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.356668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.356668 (E_RNA) where: Base-Base interactions energy: -806.438 where: short stacking energy: -320.339 Base-Backbone interact. energy: 0.834 local terms energy: -356.753116 where: bonds (distance) C4'-P energy: -68.024 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -77.137 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -88.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1074.047558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.047558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.047558 (E_RNA) where: Base-Base interactions energy: -727.131 where: short stacking energy: -334.205 Base-Backbone interact. energy: 0.604 local terms energy: -347.520276 where: bonds (distance) C4'-P energy: -71.893 bonds (distance) P-C4' energy: -62.411 flat angles C4'-P-C4' energy: -71.689 flat angles P-C4'-P energy: -51.429 tors. eta vs tors. theta energy: -90.097 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: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1000.507446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.507446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.507446 (E_RNA) where: Base-Base interactions energy: -662.159 where: short stacking energy: -314.910 Base-Backbone interact. energy: -1.140 local terms energy: -337.208051 where: bonds (distance) C4'-P energy: -68.329 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -44.880 tors. eta vs tors. theta energy: -86.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -938.019651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.019651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.019651 (E_RNA) where: Base-Base interactions energy: -608.396 where: short stacking energy: -280.981 Base-Backbone interact. energy: -1.029 local terms energy: -328.594739 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -67.701 flat angles C4'-P-C4' energy: -69.189 flat angles P-C4'-P energy: -44.514 tors. eta vs tors. theta energy: -70.688 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: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -903.496859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.496859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.496859 (E_RNA) where: Base-Base interactions energy: -592.946 where: short stacking energy: -266.546 Base-Backbone interact. energy: -2.174 local terms energy: -308.376621 where: bonds (distance) C4'-P energy: -61.945 bonds (distance) P-C4' energy: -59.116 flat angles C4'-P-C4' energy: -65.922 flat angles P-C4'-P energy: -44.302 tors. eta vs tors. theta energy: -77.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -863.679217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.679217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.679217 (E_RNA) where: Base-Base interactions energy: -545.722 where: short stacking energy: -256.903 Base-Backbone interact. energy: -1.063 local terms energy: -316.894924 where: bonds (distance) C4'-P energy: -60.972 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -63.696 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: -75.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -774.283449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.283449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.283449 (E_RNA) where: Base-Base interactions energy: -509.988 where: short stacking energy: -213.288 Base-Backbone interact. energy: -0.854 local terms energy: -263.441725 where: bonds (distance) C4'-P energy: -53.164 bonds (distance) P-C4' energy: -53.427 flat angles C4'-P-C4' energy: -68.136 flat angles P-C4'-P energy: -31.731 tors. eta vs tors. theta energy: -56.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -609.255753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.255753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.255753 (E_RNA) where: Base-Base interactions energy: -374.859 where: short stacking energy: -154.154 Base-Backbone interact. energy: -1.664 local terms energy: -232.732856 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -48.459 flat angles P-C4'-P energy: -28.651 tors. eta vs tors. theta energy: -29.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -311.994412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.994412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.994412 (E_RNA) where: Base-Base interactions energy: -132.019 where: short stacking energy: -114.498 Base-Backbone interact. energy: 0.489 local terms energy: -180.464169 where: bonds (distance) C4'-P energy: -43.343 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -50.586 flat angles P-C4'-P energy: -20.275 tors. eta vs tors. theta energy: -4.663 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: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -300.921822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.921822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.921822 (E_RNA) where: Base-Base interactions energy: -138.814 where: short stacking energy: -94.880 Base-Backbone interact. energy: 0.435 local terms energy: -162.542750 where: bonds (distance) C4'-P energy: -36.981 bonds (distance) P-C4' energy: -64.410 flat angles C4'-P-C4' energy: -46.256 flat angles P-C4'-P energy: -17.465 tors. eta vs tors. theta energy: 2.569 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: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1151.825995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.825995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.825995 (E_RNA) where: Base-Base interactions energy: -794.496 where: short stacking energy: -318.205 Base-Backbone interact. energy: -2.197 local terms energy: -355.133398 where: bonds (distance) C4'-P energy: -72.880 bonds (distance) P-C4' energy: -63.866 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -95.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1055.897524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.897524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.897524 (E_RNA) where: Base-Base interactions energy: -703.863 where: short stacking energy: -329.426 Base-Backbone interact. energy: -1.804 local terms energy: -350.231026 where: bonds (distance) C4'-P energy: -60.251 bonds (distance) P-C4' energy: -70.108 flat angles C4'-P-C4' energy: -75.737 flat angles P-C4'-P energy: -52.927 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: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1014.388036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.388036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.388036 (E_RNA) where: Base-Base interactions energy: -663.465 where: short stacking energy: -310.098 Base-Backbone interact. energy: -0.504 local terms energy: -350.418178 where: bonds (distance) C4'-P energy: -68.338 bonds (distance) P-C4' energy: -70.008 flat angles C4'-P-C4' energy: -79.618 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -87.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -934.394940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.394940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.394940 (E_RNA) where: Base-Base interactions energy: -648.787 where: short stacking energy: -275.237 Base-Backbone interact. energy: 0.294 local terms energy: -285.902550 where: bonds (distance) C4'-P energy: -55.322 bonds (distance) P-C4' energy: -50.708 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -37.130 tors. eta vs tors. theta energy: -75.837 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: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -914.669185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.669185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.669185 (E_RNA) where: Base-Base interactions energy: -612.860 where: short stacking energy: -272.353 Base-Backbone interact. energy: -0.113 local terms energy: -301.696189 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -61.834 flat angles C4'-P-C4' energy: -63.542 flat angles P-C4'-P energy: -37.638 tors. eta vs tors. theta energy: -76.073 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: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -842.229073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.229073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.229073 (E_RNA) where: Base-Base interactions energy: -550.904 where: short stacking energy: -251.179 Base-Backbone interact. energy: 0.607 local terms energy: -291.931807 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -51.933 flat angles C4'-P-C4' energy: -62.798 flat angles P-C4'-P energy: -42.515 tors. eta vs tors. theta energy: -70.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -792.882867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.882867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.882867 (E_RNA) where: Base-Base interactions energy: -515.266 where: short stacking energy: -251.870 Base-Backbone interact. energy: 0.332 local terms energy: -277.948609 where: bonds (distance) C4'-P energy: -67.464 bonds (distance) P-C4' energy: -54.911 flat angles C4'-P-C4' energy: -50.432 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -64.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -620.490629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.490629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.490629 (E_RNA) where: Base-Base interactions energy: -375.768 where: short stacking energy: -190.765 Base-Backbone interact. energy: 0.920 local terms energy: -245.641751 where: bonds (distance) C4'-P energy: -64.443 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -66.481 flat angles P-C4'-P energy: -16.388 tors. eta vs tors. theta energy: -35.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -311.222164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.222164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.222164 (E_RNA) where: Base-Base interactions energy: -120.215 where: short stacking energy: -97.931 Base-Backbone interact. energy: -0.487 local terms energy: -190.519689 where: bonds (distance) C4'-P energy: -53.933 bonds (distance) P-C4' energy: -61.845 flat angles C4'-P-C4' energy: -42.034 flat angles P-C4'-P energy: -32.772 tors. eta vs tors. theta energy: 0.064 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: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -274.367328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.367328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.367328 (E_RNA) where: Base-Base interactions energy: -90.622 where: short stacking energy: -58.065 Base-Backbone interact. energy: -1.746 local terms energy: -181.999943 where: bonds (distance) C4'-P energy: -61.656 bonds (distance) P-C4' energy: -55.292 flat angles C4'-P-C4' energy: -48.525 flat angles P-C4'-P energy: -36.646 tors. eta vs tors. theta energy: 20.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1145.379524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.379524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.379524 (E_RNA) where: Base-Base interactions energy: -790.242 where: short stacking energy: -328.187 Base-Backbone interact. energy: -2.791 local terms energy: -352.346994 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -70.246 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -89.149 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: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1066.525918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.525918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.525918 (E_RNA) where: Base-Base interactions energy: -722.485 where: short stacking energy: -322.709 Base-Backbone interact. energy: -1.259 local terms energy: -342.782404 where: bonds (distance) C4'-P energy: -71.449 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -42.493 tors. eta vs tors. theta energy: -93.244 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: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1003.513050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.513050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.513050 (E_RNA) where: Base-Base interactions energy: -656.488 where: short stacking energy: -301.414 Base-Backbone interact. energy: -0.112 local terms energy: -346.912966 where: bonds (distance) C4'-P energy: -62.533 bonds (distance) P-C4' energy: -71.990 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -47.824 tors. eta vs tors. theta energy: -89.802 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: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -951.734815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.734815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.734815 (E_RNA) where: Base-Base interactions energy: -626.926 where: short stacking energy: -283.581 Base-Backbone interact. energy: -1.181 local terms energy: -323.627244 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -63.916 flat angles C4'-P-C4' energy: -72.946 flat angles P-C4'-P energy: -46.352 tors. eta vs tors. theta energy: -82.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -926.128121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.128121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.128121 (E_RNA) where: Base-Base interactions energy: -602.576 where: short stacking energy: -281.179 Base-Backbone interact. energy: -0.027 local terms energy: -323.524613 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -63.008 flat angles C4'-P-C4' energy: -73.831 flat angles P-C4'-P energy: -43.664 tors. eta vs tors. theta energy: -83.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -848.510018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.510018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.510018 (E_RNA) where: Base-Base interactions energy: -552.909 where: short stacking energy: -254.828 Base-Backbone interact. energy: -1.095 local terms energy: -294.505366 where: bonds (distance) C4'-P energy: -70.250 bonds (distance) P-C4' energy: -65.421 flat angles C4'-P-C4' energy: -60.655 flat angles P-C4'-P energy: -32.442 tors. eta vs tors. theta energy: -65.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -809.028505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.028505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.028505 (E_RNA) where: Base-Base interactions energy: -536.821 where: short stacking energy: -249.486 Base-Backbone interact. energy: -1.238 local terms energy: -270.968978 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -54.497 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: -61.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -552.233796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.233796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.233796 (E_RNA) where: Base-Base interactions energy: -324.276 where: short stacking energy: -148.848 Base-Backbone interact. energy: 4.653 local terms energy: -232.610660 where: bonds (distance) C4'-P energy: -59.430 bonds (distance) P-C4' energy: -45.433 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -17.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -302.858996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.858996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.858996 (E_RNA) where: Base-Base interactions energy: -116.433 where: short stacking energy: -86.697 Base-Backbone interact. energy: 0.807 local terms energy: -187.232999 where: bonds (distance) C4'-P energy: -54.506 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -47.828 flat angles P-C4'-P energy: -28.986 tors. eta vs tors. theta energy: 6.207 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: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -313.475776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.475776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.475776 (E_RNA) where: Base-Base interactions energy: -125.670 where: short stacking energy: -84.541 Base-Backbone interact. energy: -0.810 local terms energy: -186.996002 where: bonds (distance) C4'-P energy: -58.004 bonds (distance) P-C4' energy: -55.293 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: 8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1119.890292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.890292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.890292 (E_RNA) where: Base-Base interactions energy: -771.496 where: short stacking energy: -329.114 Base-Backbone interact. energy: 0.259 local terms energy: -348.652854 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -59.777 flat angles C4'-P-C4' energy: -68.613 flat angles P-C4'-P energy: -51.433 tors. eta vs tors. theta energy: -100.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1080.537415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.537415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.537415 (E_RNA) where: Base-Base interactions energy: -722.876 where: short stacking energy: -324.438 Base-Backbone interact. energy: -1.542 local terms energy: -356.119450 where: bonds (distance) C4'-P energy: -61.235 bonds (distance) P-C4' energy: -76.817 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -97.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -990.303090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.303090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.303090 (E_RNA) where: Base-Base interactions energy: -657.346 where: short stacking energy: -317.112 Base-Backbone interact. energy: -1.864 local terms energy: -331.093335 where: bonds (distance) C4'-P energy: -56.444 bonds (distance) P-C4' energy: -67.044 flat angles C4'-P-C4' energy: -71.122 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -89.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -942.137434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.137434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.137434 (E_RNA) where: Base-Base interactions energy: -621.385 where: short stacking energy: -268.381 Base-Backbone interact. energy: -1.430 local terms energy: -319.321855 where: bonds (distance) C4'-P energy: -61.469 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -76.123 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -66.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -926.551320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.551320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.551320 (E_RNA) where: Base-Base interactions energy: -613.467 where: short stacking energy: -277.036 Base-Backbone interact. energy: 0.776 local terms energy: -313.860616 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -72.168 flat angles C4'-P-C4' energy: -58.138 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -79.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -832.320882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.320882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.320882 (E_RNA) where: Base-Base interactions energy: -546.867 where: short stacking energy: -251.354 Base-Backbone interact. energy: -0.444 local terms energy: -285.009467 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -63.017 flat angles C4'-P-C4' energy: -62.482 flat angles P-C4'-P energy: -39.608 tors. eta vs tors. theta energy: -58.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -789.064290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.064290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.064290 (E_RNA) where: Base-Base interactions energy: -524.256 where: short stacking energy: -209.933 Base-Backbone interact. energy: -0.874 local terms energy: -263.934884 where: bonds (distance) C4'-P energy: -59.200 bonds (distance) P-C4' energy: -59.771 flat angles C4'-P-C4' energy: -50.388 flat angles P-C4'-P energy: -39.322 tors. eta vs tors. theta energy: -55.255 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: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -551.144878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.144878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.144878 (E_RNA) where: Base-Base interactions energy: -331.676 where: short stacking energy: -149.182 Base-Backbone interact. energy: 0.414 local terms energy: -219.883244 where: bonds (distance) C4'-P energy: -54.597 bonds (distance) P-C4' energy: -55.581 flat angles C4'-P-C4' energy: -60.662 flat angles P-C4'-P energy: -27.262 tors. eta vs tors. theta energy: -21.781 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: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -294.508994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.508994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.508994 (E_RNA) where: Base-Base interactions energy: -94.509 where: short stacking energy: -67.416 Base-Backbone interact. energy: 0.207 local terms energy: -200.207162 where: bonds (distance) C4'-P energy: -65.085 bonds (distance) P-C4' energy: -57.336 flat angles C4'-P-C4' energy: -53.126 flat angles P-C4'-P energy: -36.020 tors. eta vs tors. theta energy: 11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -299.872908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.872908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.872908 (E_RNA) where: Base-Base interactions energy: -106.016 where: short stacking energy: -62.933 Base-Backbone interact. energy: 2.229 local terms energy: -196.086581 where: bonds (distance) C4'-P energy: -55.580 bonds (distance) P-C4' energy: -66.577 flat angles C4'-P-C4' energy: -44.225 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: 10.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1133.865831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.865831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.865831 (E_RNA) where: Base-Base interactions energy: -772.697 where: short stacking energy: -316.611 Base-Backbone interact. energy: -2.466 local terms energy: -358.703280 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -71.104 flat angles C4'-P-C4' energy: -79.491 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -95.387 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: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1076.130236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.130236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.130236 (E_RNA) where: Base-Base interactions energy: -719.190 where: short stacking energy: -326.528 Base-Backbone interact. energy: -1.172 local terms energy: -355.767380 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -69.742 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -103.976 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: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -976.914678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.914678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.914678 (E_RNA) where: Base-Base interactions energy: -639.273 where: short stacking energy: -294.501 Base-Backbone interact. energy: 0.499 local terms energy: -338.140582 where: bonds (distance) C4'-P energy: -70.018 bonds (distance) P-C4' energy: -63.866 flat angles C4'-P-C4' energy: -78.356 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -76.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -978.655916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.655916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.655916 (E_RNA) where: Base-Base interactions energy: -631.867 where: short stacking energy: -289.039 Base-Backbone interact. energy: -1.536 local terms energy: -345.253237 where: bonds (distance) C4'-P energy: -72.478 bonds (distance) P-C4' energy: -67.981 flat angles C4'-P-C4' energy: -66.527 flat angles P-C4'-P energy: -49.341 tors. eta vs tors. theta energy: -88.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -874.442112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.442112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.442112 (E_RNA) where: Base-Base interactions energy: -566.428 where: short stacking energy: -234.395 Base-Backbone interact. energy: -0.715 local terms energy: -307.298463 where: bonds (distance) C4'-P energy: -56.550 bonds (distance) P-C4' energy: -74.347 flat angles C4'-P-C4' energy: -58.757 flat angles P-C4'-P energy: -48.749 tors. eta vs tors. theta energy: -68.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -816.758384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.758384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.758384 (E_RNA) where: Base-Base interactions energy: -522.809 where: short stacking energy: -238.968 Base-Backbone interact. energy: -1.017 local terms energy: -292.932436 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -66.499 flat angles C4'-P-C4' energy: -52.256 flat angles P-C4'-P energy: -47.849 tors. eta vs tors. theta energy: -62.758 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: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -814.456487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.456487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.456487 (E_RNA) where: Base-Base interactions energy: -533.847 where: short stacking energy: -251.613 Base-Backbone interact. energy: -2.399 local terms energy: -278.210503 where: bonds (distance) C4'-P energy: -48.985 bonds (distance) P-C4' energy: -60.613 flat angles C4'-P-C4' energy: -59.138 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: -66.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -554.355216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.355216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.355216 (E_RNA) where: Base-Base interactions energy: -311.707 where: short stacking energy: -154.310 Base-Backbone interact. energy: 6.385 local terms energy: -249.033361 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -68.960 flat angles C4'-P-C4' energy: -56.063 flat angles P-C4'-P energy: -38.257 tors. eta vs tors. theta energy: -22.687 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: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -315.504705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.504705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.504705 (E_RNA) where: Base-Base interactions energy: -116.456 where: short stacking energy: -93.805 Base-Backbone interact. energy: 2.621 local terms energy: -201.669395 where: bonds (distance) C4'-P energy: -66.436 bonds (distance) P-C4' energy: -55.305 flat angles C4'-P-C4' energy: -49.972 flat angles P-C4'-P energy: -29.486 tors. eta vs tors. theta energy: -0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -279.999510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.999510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.999510 (E_RNA) where: Base-Base interactions energy: -100.870 where: short stacking energy: -81.042 Base-Backbone interact. energy: 3.285 local terms energy: -182.414566 where: bonds (distance) C4'-P energy: -46.266 bonds (distance) P-C4' energy: -63.747 flat angles C4'-P-C4' energy: -40.865 flat angles P-C4'-P energy: -39.080 tors. eta vs tors. theta energy: 7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1118.335844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.335844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.335844 (E_RNA) where: Base-Base interactions energy: -755.403 where: short stacking energy: -321.528 Base-Backbone interact. energy: -2.622 local terms energy: -360.310999 where: bonds (distance) C4'-P energy: -60.120 bonds (distance) P-C4' energy: -74.256 flat angles C4'-P-C4' energy: -82.739 flat angles P-C4'-P energy: -45.288 tors. eta vs tors. theta energy: -97.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1070.180972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.180972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.180972 (E_RNA) where: Base-Base interactions energy: -711.107 where: short stacking energy: -317.076 Base-Backbone interact. energy: -0.826 local terms energy: -358.247825 where: bonds (distance) C4'-P energy: -70.829 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -73.070 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: -97.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1002.880225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.880225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.880225 (E_RNA) where: Base-Base interactions energy: -668.297 where: short stacking energy: -329.577 Base-Backbone interact. energy: 1.340 local terms energy: -335.923683 where: bonds (distance) C4'-P energy: -59.277 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -75.351 flat angles P-C4'-P energy: -46.145 tors. eta vs tors. theta energy: -95.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -944.976618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.976618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.976618 (E_RNA) where: Base-Base interactions energy: -626.383 where: short stacking energy: -304.884 Base-Backbone interact. energy: -0.614 local terms energy: -317.979396 where: bonds (distance) C4'-P energy: -49.355 bonds (distance) P-C4' energy: -57.104 flat angles C4'-P-C4' energy: -66.984 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -92.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -899.442600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.442600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.442600 (E_RNA) where: Base-Base interactions energy: -596.079 where: short stacking energy: -248.789 Base-Backbone interact. energy: -1.422 local terms energy: -301.941806 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -69.218 flat angles C4'-P-C4' energy: -59.618 flat angles P-C4'-P energy: -43.435 tors. eta vs tors. theta energy: -68.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -836.811601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.811601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.811601 (E_RNA) where: Base-Base interactions energy: -538.649 where: short stacking energy: -254.774 Base-Backbone interact. energy: -0.975 local terms energy: -297.187678 where: bonds (distance) C4'-P energy: -57.325 bonds (distance) P-C4' energy: -56.814 flat angles C4'-P-C4' energy: -78.306 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -57.768 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: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -758.984709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.984709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.984709 (E_RNA) where: Base-Base interactions energy: -475.599 where: short stacking energy: -224.853 Base-Backbone interact. energy: -0.735 local terms energy: -282.650551 where: bonds (distance) C4'-P energy: -58.846 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -65.562 flat angles P-C4'-P energy: -40.642 tors. eta vs tors. theta energy: -59.038 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: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -546.197287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.197287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.197287 (E_RNA) where: Base-Base interactions energy: -293.353 where: short stacking energy: -140.614 Base-Backbone interact. energy: -0.234 local terms energy: -252.610153 where: bonds (distance) C4'-P energy: -57.173 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -29.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -305.524277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.524277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.524277 (E_RNA) where: Base-Base interactions energy: -122.142 where: short stacking energy: -93.052 Base-Backbone interact. energy: -2.903 local terms energy: -180.479745 where: bonds (distance) C4'-P energy: -37.931 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -49.198 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: 8.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -348.215923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.215923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.215923 (E_RNA) where: Base-Base interactions energy: -171.195 where: short stacking energy: -120.658 Base-Backbone interact. energy: 1.953 local terms energy: -178.973959 where: bonds (distance) C4'-P energy: -41.406 bonds (distance) P-C4' energy: -41.785 flat angles C4'-P-C4' energy: -51.131 flat angles P-C4'-P energy: -36.001 tors. eta vs tors. theta energy: -8.650 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: 401 Temperature: 0.900000 Total energy: -1135.658328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.658328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.658328 (E_RNA) where: Base-Base interactions energy: -765.157 where: short stacking energy: -323.342 Base-Backbone interact. energy: -2.802 local terms energy: -367.699552 where: bonds (distance) C4'-P energy: -67.055 bonds (distance) P-C4' energy: -74.340 flat angles C4'-P-C4' energy: -82.242 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -94.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1079.682773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.682773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.682773 (E_RNA) where: Base-Base interactions energy: -719.545 where: short stacking energy: -350.333 Base-Backbone interact. energy: -0.754 local terms energy: -359.384415 where: bonds (distance) C4'-P energy: -63.790 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -75.548 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -98.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -995.273628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.273628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.273628 (E_RNA) where: Base-Base interactions energy: -644.385 where: short stacking energy: -302.593 Base-Backbone interact. energy: 1.111 local terms energy: -351.999597 where: bonds (distance) C4'-P energy: -69.987 bonds (distance) P-C4' energy: -70.734 flat angles C4'-P-C4' energy: -73.362 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -85.416 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: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -951.423370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.423370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.423370 (E_RNA) where: Base-Base interactions energy: -632.682 where: short stacking energy: -292.345 Base-Backbone interact. energy: 0.481 local terms energy: -319.222625 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -64.792 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -88.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -922.246798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.246798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.246798 (E_RNA) where: Base-Base interactions energy: -609.702 where: short stacking energy: -275.798 Base-Backbone interact. energy: -0.414 local terms energy: -312.131303 where: bonds (distance) C4'-P energy: -66.516 bonds (distance) P-C4' energy: -74.002 flat angles C4'-P-C4' energy: -67.302 flat angles P-C4'-P energy: -32.867 tors. eta vs tors. theta energy: -71.444 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: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -790.178231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.178231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.178231 (E_RNA) where: Base-Base interactions energy: -499.424 where: short stacking energy: -230.165 Base-Backbone interact. energy: 0.343 local terms energy: -291.097402 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -75.854 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -27.546 tors. eta vs tors. theta energy: -59.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -810.727795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.727795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.727795 (E_RNA) where: Base-Base interactions energy: -521.688 where: short stacking energy: -236.544 Base-Backbone interact. energy: 0.873 local terms energy: -289.912403 where: bonds (distance) C4'-P energy: -68.602 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -53.575 flat angles P-C4'-P energy: -28.051 tors. eta vs tors. theta energy: -68.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -492.803077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.803077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.803077 (E_RNA) where: Base-Base interactions energy: -274.208 where: short stacking energy: -154.565 Base-Backbone interact. energy: -0.756 local terms energy: -217.838861 where: bonds (distance) C4'-P energy: -51.530 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -63.741 flat angles P-C4'-P energy: -33.685 tors. eta vs tors. theta energy: -11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -313.407440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.407440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.407440 (E_RNA) where: Base-Base interactions energy: -101.746 where: short stacking energy: -89.700 Base-Backbone interact. energy: 1.864 local terms energy: -213.525147 where: bonds (distance) C4'-P energy: -62.722 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -53.173 flat angles P-C4'-P energy: -28.517 tors. eta vs tors. theta energy: -0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -282.694652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.694652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.694652 (E_RNA) where: Base-Base interactions energy: -85.622 where: short stacking energy: -72.062 Base-Backbone interact. energy: -1.201 local terms energy: -195.870994 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -59.485 flat angles C4'-P-C4' energy: -45.660 flat angles P-C4'-P energy: -35.275 tors. eta vs tors. theta energy: 5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1135.384810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.384810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.384810 (E_RNA) where: Base-Base interactions energy: -769.102 where: short stacking energy: -306.589 Base-Backbone interact. energy: -0.435 local terms energy: -365.848222 where: bonds (distance) C4'-P energy: -72.660 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -51.957 tors. eta vs tors. theta energy: -91.845 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: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1068.594018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.594018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.594018 (E_RNA) where: Base-Base interactions energy: -711.273 where: short stacking energy: -328.669 Base-Backbone interact. energy: 2.513 local terms energy: -359.833710 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -94.579 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: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -990.482875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.482875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.482875 (E_RNA) where: Base-Base interactions energy: -662.337 where: short stacking energy: -317.147 Base-Backbone interact. energy: -0.592 local terms energy: -327.554110 where: bonds (distance) C4'-P energy: -62.210 bonds (distance) P-C4' energy: -67.406 flat angles C4'-P-C4' energy: -66.138 flat angles P-C4'-P energy: -48.321 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: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -991.442580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.442580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.442580 (E_RNA) where: Base-Base interactions energy: -671.042 where: short stacking energy: -302.912 Base-Backbone interact. energy: 4.067 local terms energy: -324.467441 where: bonds (distance) C4'-P energy: -54.379 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -72.309 flat angles P-C4'-P energy: -45.109 tors. eta vs tors. theta energy: -89.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -891.751160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.751160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.751160 (E_RNA) where: Base-Base interactions energy: -583.908 where: short stacking energy: -267.114 Base-Backbone interact. energy: -0.926 local terms energy: -306.917480 where: bonds (distance) C4'-P energy: -62.396 bonds (distance) P-C4' energy: -67.635 flat angles C4'-P-C4' energy: -66.862 flat angles P-C4'-P energy: -47.084 tors. eta vs tors. theta energy: -62.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -839.883108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.883108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.883108 (E_RNA) where: Base-Base interactions energy: -550.299 where: short stacking energy: -272.398 Base-Backbone interact. energy: 0.633 local terms energy: -290.216719 where: bonds (distance) C4'-P energy: -52.712 bonds (distance) P-C4' energy: -57.613 flat angles C4'-P-C4' energy: -72.773 flat angles P-C4'-P energy: -49.027 tors. eta vs tors. theta energy: -58.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -830.965839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.965839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.965839 (E_RNA) where: Base-Base interactions energy: -528.778 where: short stacking energy: -244.607 Base-Backbone interact. energy: -1.636 local terms energy: -300.552566 where: bonds (distance) C4'-P energy: -59.849 bonds (distance) P-C4' energy: -67.091 flat angles C4'-P-C4' energy: -61.809 flat angles P-C4'-P energy: -43.200 tors. eta vs tors. theta energy: -68.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -494.336436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.336436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.336436 (E_RNA) where: Base-Base interactions energy: -269.963 where: short stacking energy: -143.410 Base-Backbone interact. energy: -1.698 local terms energy: -222.675099 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -61.482 flat angles C4'-P-C4' energy: -64.600 flat angles P-C4'-P energy: -17.252 tors. eta vs tors. theta energy: -27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -284.313367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.313367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.313367 (E_RNA) where: Base-Base interactions energy: -106.822 where: short stacking energy: -88.750 Base-Backbone interact. energy: 0.941 local terms energy: -178.432760 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -59.344 flat angles C4'-P-C4' energy: -50.598 flat angles P-C4'-P energy: -19.836 tors. eta vs tors. theta energy: 8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -285.308349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.308349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.308349 (E_RNA) where: Base-Base interactions energy: -72.879 where: short stacking energy: -59.791 Base-Backbone interact. energy: 0.561 local terms energy: -212.990610 where: bonds (distance) C4'-P energy: -69.167 bonds (distance) P-C4' energy: -65.375 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -31.267 tors. eta vs tors. theta energy: 13.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1121.638517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.638517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.638517 (E_RNA) where: Base-Base interactions energy: -761.598 where: short stacking energy: -322.658 Base-Backbone interact. energy: -0.271 local terms energy: -359.769122 where: bonds (distance) C4'-P energy: -76.785 bonds (distance) P-C4' energy: -61.573 flat angles C4'-P-C4' energy: -73.242 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -88.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1088.185711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.185711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.185711 (E_RNA) where: Base-Base interactions energy: -735.287 where: short stacking energy: -340.178 Base-Backbone interact. energy: -2.325 local terms energy: -350.573547 where: bonds (distance) C4'-P energy: -60.502 bonds (distance) P-C4' energy: -63.351 flat angles C4'-P-C4' energy: -77.742 flat angles P-C4'-P energy: -47.075 tors. eta vs tors. theta energy: -101.905 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: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1006.727696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.727696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.727696 (E_RNA) where: Base-Base interactions energy: -654.062 where: short stacking energy: -309.959 Base-Backbone interact. energy: -0.224 local terms energy: -352.441582 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -63.747 flat angles C4'-P-C4' energy: -77.198 flat angles P-C4'-P energy: -54.567 tors. eta vs tors. theta energy: -88.450 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: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -964.243023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.243023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.243023 (E_RNA) where: Base-Base interactions energy: -645.228 where: short stacking energy: -305.815 Base-Backbone interact. energy: -0.677 local terms energy: -318.337250 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -68.868 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -72.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -896.450789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.450789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.450789 (E_RNA) where: Base-Base interactions energy: -567.531 where: short stacking energy: -253.856 Base-Backbone interact. energy: -2.374 local terms energy: -326.545391 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -76.703 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -69.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -804.004721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.004721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.004721 (E_RNA) where: Base-Base interactions energy: -494.858 where: short stacking energy: -240.874 Base-Backbone interact. energy: 1.050 local terms energy: -310.196714 where: bonds (distance) C4'-P energy: -69.812 bonds (distance) P-C4' energy: -59.139 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -47.490 tors. eta vs tors. theta energy: -65.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -790.542090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.542090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.542090 (E_RNA) where: Base-Base interactions energy: -506.941 where: short stacking energy: -227.800 Base-Backbone interact. energy: 2.156 local terms energy: -285.756984 where: bonds (distance) C4'-P energy: -65.737 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -59.442 flat angles P-C4'-P energy: -40.328 tors. eta vs tors. theta energy: -51.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -480.778293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.778293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.778293 (E_RNA) where: Base-Base interactions energy: -251.189 where: short stacking energy: -149.342 Base-Backbone interact. energy: -0.231 local terms energy: -229.357849 where: bonds (distance) C4'-P energy: -65.336 bonds (distance) P-C4' energy: -58.747 flat angles C4'-P-C4' energy: -54.711 flat angles P-C4'-P energy: -31.888 tors. eta vs tors. theta energy: -18.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -309.079824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.079824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.079824 (E_RNA) where: Base-Base interactions energy: -125.547 where: short stacking energy: -76.296 Base-Backbone interact. energy: 2.117 local terms energy: -185.649976 where: bonds (distance) C4'-P energy: -60.829 bonds (distance) P-C4' energy: -66.172 flat angles C4'-P-C4' energy: -49.695 flat angles P-C4'-P energy: -28.043 tors. eta vs tors. theta energy: 19.088 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: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -303.688223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.688223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.688223 (E_RNA) where: Base-Base interactions energy: -116.619 where: short stacking energy: -96.416 Base-Backbone interact. energy: 0.678 local terms energy: -187.746882 where: bonds (distance) C4'-P energy: -63.937 bonds (distance) P-C4' energy: -51.676 flat angles C4'-P-C4' energy: -44.719 flat angles P-C4'-P energy: -32.398 tors. eta vs tors. theta energy: 4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1146.043332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.043332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.043332 (E_RNA) where: Base-Base interactions energy: -768.793 where: short stacking energy: -327.591 Base-Backbone interact. energy: -2.221 local terms energy: -375.029356 where: bonds (distance) C4'-P energy: -65.395 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -77.856 flat angles P-C4'-P energy: -57.197 tors. eta vs tors. theta energy: -99.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1089.512746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.512746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.512746 (E_RNA) where: Base-Base interactions energy: -724.778 where: short stacking energy: -357.574 Base-Backbone interact. energy: -1.719 local terms energy: -363.015250 where: bonds (distance) C4'-P energy: -61.853 bonds (distance) P-C4' energy: -59.415 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -109.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1000.621143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.621143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.621143 (E_RNA) where: Base-Base interactions energy: -671.942 where: short stacking energy: -319.983 Base-Backbone interact. energy: 0.697 local terms energy: -329.376799 where: bonds (distance) C4'-P energy: -55.388 bonds (distance) P-C4' energy: -71.868 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -85.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -962.119715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.119715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.119715 (E_RNA) where: Base-Base interactions energy: -640.921 where: short stacking energy: -296.825 Base-Backbone interact. energy: -1.805 local terms energy: -319.394271 where: bonds (distance) C4'-P energy: -59.917 bonds (distance) P-C4' energy: -68.160 flat angles C4'-P-C4' energy: -64.838 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -75.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -917.318748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.318748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.318748 (E_RNA) where: Base-Base interactions energy: -598.233 where: short stacking energy: -262.735 Base-Backbone interact. energy: -1.933 local terms energy: -317.152716 where: bonds (distance) C4'-P energy: -63.004 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -70.591 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -70.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -834.690316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.690316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.690316 (E_RNA) where: Base-Base interactions energy: -538.864 where: short stacking energy: -258.823 Base-Backbone interact. energy: -0.757 local terms energy: -295.069339 where: bonds (distance) C4'-P energy: -71.021 bonds (distance) P-C4' energy: -55.226 flat angles C4'-P-C4' energy: -63.680 flat angles P-C4'-P energy: -34.063 tors. eta vs tors. theta energy: -71.079 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: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -803.743976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.743976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.743976 (E_RNA) where: Base-Base interactions energy: -518.462 where: short stacking energy: -240.315 Base-Backbone interact. energy: -0.838 local terms energy: -284.444312 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -57.634 flat angles C4'-P-C4' energy: -55.000 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: -66.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -502.534740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.534740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.534740 (E_RNA) where: Base-Base interactions energy: -281.737 where: short stacking energy: -130.232 Base-Backbone interact. energy: -0.504 local terms energy: -220.293501 where: bonds (distance) C4'-P energy: -72.424 bonds (distance) P-C4' energy: -52.695 flat angles C4'-P-C4' energy: -50.190 flat angles P-C4'-P energy: -31.016 tors. eta vs tors. theta energy: -13.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -319.262652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.262652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.262652 (E_RNA) where: Base-Base interactions energy: -124.455 where: short stacking energy: -106.638 Base-Backbone interact. energy: -0.963 local terms energy: -193.844852 where: bonds (distance) C4'-P energy: -53.733 bonds (distance) P-C4' energy: -69.217 flat angles C4'-P-C4' energy: -44.401 flat angles P-C4'-P energy: -21.092 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -286.240790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.240790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.240790 (E_RNA) where: Base-Base interactions energy: -117.464 where: short stacking energy: -92.038 Base-Backbone interact. energy: 2.704 local terms energy: -171.480596 where: bonds (distance) C4'-P energy: -44.558 bonds (distance) P-C4' energy: -56.125 flat angles C4'-P-C4' energy: -46.424 flat angles P-C4'-P energy: -31.444 tors. eta vs tors. theta energy: 7.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1134.324238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.324238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.324238 (E_RNA) where: Base-Base interactions energy: -756.346 where: short stacking energy: -313.943 Base-Backbone interact. energy: -1.424 local terms energy: -376.554325 where: bonds (distance) C4'-P energy: -79.993 bonds (distance) P-C4' energy: -67.971 flat angles C4'-P-C4' energy: -79.734 flat angles P-C4'-P energy: -51.725 tors. eta vs tors. theta energy: -97.131 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: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1068.594079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.594079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.594079 (E_RNA) where: Base-Base interactions energy: -712.426 where: short stacking energy: -340.445 Base-Backbone interact. energy: 0.297 local terms energy: -356.465238 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -72.484 flat angles C4'-P-C4' energy: -75.917 flat angles P-C4'-P energy: -52.356 tors. eta vs tors. theta energy: -93.322 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: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -999.243070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.243070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.243070 (E_RNA) where: Base-Base interactions energy: -655.800 where: short stacking energy: -296.202 Base-Backbone interact. energy: -0.894 local terms energy: -342.548496 where: bonds (distance) C4'-P energy: -67.048 bonds (distance) P-C4' energy: -60.166 flat angles C4'-P-C4' energy: -76.702 flat angles P-C4'-P energy: -56.887 tors. eta vs tors. theta energy: -81.746 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: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -944.455863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.455863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.455863 (E_RNA) where: Base-Base interactions energy: -608.817 where: short stacking energy: -295.395 Base-Backbone interact. energy: -0.163 local terms energy: -335.476682 where: bonds (distance) C4'-P energy: -58.315 bonds (distance) P-C4' energy: -74.321 flat angles C4'-P-C4' energy: -69.299 flat angles P-C4'-P energy: -50.442 tors. eta vs tors. theta energy: -83.099 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: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -942.695531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.695531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.695531 (E_RNA) where: Base-Base interactions energy: -598.841 where: short stacking energy: -291.228 Base-Backbone interact. energy: -0.509 local terms energy: -343.346139 where: bonds (distance) C4'-P energy: -61.214 bonds (distance) P-C4' energy: -74.748 flat angles C4'-P-C4' energy: -76.516 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -84.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -817.042855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.042855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.042855 (E_RNA) where: Base-Base interactions energy: -518.836 where: short stacking energy: -242.523 Base-Backbone interact. energy: -0.424 local terms energy: -297.782343 where: bonds (distance) C4'-P energy: -60.928 bonds (distance) P-C4' energy: -61.875 flat angles C4'-P-C4' energy: -66.234 flat angles P-C4'-P energy: -42.454 tors. eta vs tors. theta energy: -66.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -826.042673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.042673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.042673 (E_RNA) where: Base-Base interactions energy: -546.889 where: short stacking energy: -272.029 Base-Backbone interact. energy: 4.508 local terms energy: -283.661468 where: bonds (distance) C4'-P energy: -53.038 bonds (distance) P-C4' energy: -53.484 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -45.890 tors. eta vs tors. theta energy: -66.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -563.284318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.284318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.284318 (E_RNA) where: Base-Base interactions energy: -318.963 where: short stacking energy: -134.772 Base-Backbone interact. energy: -0.191 local terms energy: -244.130301 where: bonds (distance) C4'-P energy: -55.221 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -58.321 flat angles P-C4'-P energy: -38.665 tors. eta vs tors. theta energy: -21.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -330.165693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.165693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.165693 (E_RNA) where: Base-Base interactions energy: -139.645 where: short stacking energy: -104.377 Base-Backbone interact. energy: 1.547 local terms energy: -192.068169 where: bonds (distance) C4'-P energy: -54.758 bonds (distance) P-C4' energy: -44.892 flat angles C4'-P-C4' energy: -55.662 flat angles P-C4'-P energy: -34.831 tors. eta vs tors. theta energy: -1.925 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: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -286.489886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.489886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.489886 (E_RNA) where: Base-Base interactions energy: -103.881 where: short stacking energy: -69.825 Base-Backbone interact. energy: -2.227 local terms energy: -180.382026 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -73.585 flat angles C4'-P-C4' energy: -43.902 flat angles P-C4'-P energy: -28.321 tors. eta vs tors. theta energy: 19.183 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: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1132.077560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.077560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.077560 (E_RNA) where: Base-Base interactions energy: -767.439 where: short stacking energy: -333.091 Base-Backbone interact. energy: -3.977 local terms energy: -360.662119 where: bonds (distance) C4'-P energy: -73.723 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -74.311 flat angles P-C4'-P energy: -53.447 tors. eta vs tors. theta energy: -99.017 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: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1023.635111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.635111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.635111 (E_RNA) where: Base-Base interactions energy: -676.276 where: short stacking energy: -298.390 Base-Backbone interact. energy: -0.986 local terms energy: -346.373128 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -71.969 flat angles C4'-P-C4' energy: -67.794 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -79.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -985.183955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.183955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.183955 (E_RNA) where: Base-Base interactions energy: -628.964 where: short stacking energy: -296.147 Base-Backbone interact. energy: 0.540 local terms energy: -356.759313 where: bonds (distance) C4'-P energy: -61.099 bonds (distance) P-C4' energy: -73.242 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: -90.333 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: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -980.417712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.417712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.417712 (E_RNA) where: Base-Base interactions energy: -647.889 where: short stacking energy: -297.557 Base-Backbone interact. energy: -1.046 local terms energy: -331.483300 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -71.725 flat angles C4'-P-C4' energy: -64.146 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: -88.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -925.081632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.081632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.081632 (E_RNA) where: Base-Base interactions energy: -591.877 where: short stacking energy: -277.639 Base-Backbone interact. energy: -0.257 local terms energy: -332.948306 where: bonds (distance) C4'-P energy: -64.678 bonds (distance) P-C4' energy: -60.076 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -81.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -851.762490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.762490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.762490 (E_RNA) where: Base-Base interactions energy: -544.505 where: short stacking energy: -246.237 Base-Backbone interact. energy: -1.165 local terms energy: -306.092623 where: bonds (distance) C4'-P energy: -51.247 bonds (distance) P-C4' energy: -52.872 flat angles C4'-P-C4' energy: -75.089 flat angles P-C4'-P energy: -47.345 tors. eta vs tors. theta energy: -79.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -820.846276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.846276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.846276 (E_RNA) where: Base-Base interactions energy: -535.853 where: short stacking energy: -232.772 Base-Backbone interact. energy: -1.135 local terms energy: -283.857976 where: bonds (distance) C4'-P energy: -60.590 bonds (distance) P-C4' energy: -56.830 flat angles C4'-P-C4' energy: -61.586 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -59.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -593.575725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.575725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.575725 (E_RNA) where: Base-Base interactions energy: -355.787 where: short stacking energy: -179.817 Base-Backbone interact. energy: -0.705 local terms energy: -237.084215 where: bonds (distance) C4'-P energy: -42.937 bonds (distance) P-C4' energy: -62.788 flat angles C4'-P-C4' energy: -64.168 flat angles P-C4'-P energy: -29.003 tors. eta vs tors. theta energy: -38.189 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: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -299.385810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.385810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.385810 (E_RNA) where: Base-Base interactions energy: -122.784 where: short stacking energy: -101.887 Base-Backbone interact. energy: 2.092 local terms energy: -178.693628 where: bonds (distance) C4'-P energy: -42.373 bonds (distance) P-C4' energy: -57.608 flat angles C4'-P-C4' energy: -41.160 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -283.440334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.440334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.440334 (E_RNA) where: Base-Base interactions energy: -98.749 where: short stacking energy: -72.851 Base-Backbone interact. energy: -1.623 local terms energy: -183.068941 where: bonds (distance) C4'-P energy: -64.950 bonds (distance) P-C4' energy: -64.031 flat angles C4'-P-C4' energy: -33.412 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: 22.244 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: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1151.207468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.207468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.207468 (E_RNA) where: Base-Base interactions energy: -789.492 where: short stacking energy: -316.583 Base-Backbone interact. energy: -1.766 local terms energy: -359.949877 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -72.984 flat angles C4'-P-C4' energy: -75.907 flat angles P-C4'-P energy: -51.301 tors. eta vs tors. theta energy: -89.689 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: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1070.435040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.435040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.435040 (E_RNA) where: Base-Base interactions energy: -714.169 where: short stacking energy: -322.129 Base-Backbone interact. energy: -0.893 local terms energy: -355.373121 where: bonds (distance) C4'-P energy: -67.717 bonds (distance) P-C4' energy: -62.616 flat angles C4'-P-C4' energy: -80.288 flat angles P-C4'-P energy: -52.243 tors. eta vs tors. theta energy: -92.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1001.491136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.491136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.491136 (E_RNA) where: Base-Base interactions energy: -657.676 where: short stacking energy: -309.616 Base-Backbone interact. energy: -3.775 local terms energy: -340.040099 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -47.860 tors. eta vs tors. theta energy: -85.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -971.485711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.485711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.485711 (E_RNA) where: Base-Base interactions energy: -644.846 where: short stacking energy: -280.066 Base-Backbone interact. energy: -3.114 local terms energy: -323.525400 where: bonds (distance) C4'-P energy: -69.139 bonds (distance) P-C4' energy: -58.767 flat angles C4'-P-C4' energy: -66.413 flat angles P-C4'-P energy: -50.396 tors. eta vs tors. theta energy: -78.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -908.396290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.396290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.396290 (E_RNA) where: Base-Base interactions energy: -604.066 where: short stacking energy: -266.345 Base-Backbone interact. energy: -2.828 local terms energy: -301.502413 where: bonds (distance) C4'-P energy: -64.886 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -67.101 flat angles P-C4'-P energy: -37.228 tors. eta vs tors. theta energy: -68.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -831.190329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.190329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.190329 (E_RNA) where: Base-Base interactions energy: -541.330 where: short stacking energy: -245.342 Base-Backbone interact. energy: -0.531 local terms energy: -289.328964 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -59.196 flat angles C4'-P-C4' energy: -50.010 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -66.380 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: 407 Temperature: 1.200000 Total energy: -795.335644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.335644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.335644 (E_RNA) where: Base-Base interactions energy: -512.240 where: short stacking energy: -216.053 Base-Backbone interact. energy: -2.846 local terms energy: -280.249427 where: bonds (distance) C4'-P energy: -59.806 bonds (distance) P-C4' energy: -64.788 flat angles C4'-P-C4' energy: -71.207 flat angles P-C4'-P energy: -30.263 tors. eta vs tors. theta energy: -54.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -618.244007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.244007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.244007 (E_RNA) where: Base-Base interactions energy: -369.311 where: short stacking energy: -178.407 Base-Backbone interact. energy: -0.384 local terms energy: -248.549023 where: bonds (distance) C4'-P energy: -40.660 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -63.076 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -39.218 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: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -302.635417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.635417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.635417 (E_RNA) where: Base-Base interactions energy: -104.816 where: short stacking energy: -86.899 Base-Backbone interact. energy: -3.662 local terms energy: -194.157880 where: bonds (distance) C4'-P energy: -44.629 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -58.733 flat angles P-C4'-P energy: -38.503 tors. eta vs tors. theta energy: 5.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -335.602126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.602126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.602126 (E_RNA) where: Base-Base interactions energy: -120.051 where: short stacking energy: -82.912 Base-Backbone interact. energy: 0.018 local terms energy: -215.569752 where: bonds (distance) C4'-P energy: -65.306 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -51.597 flat angles P-C4'-P energy: -28.018 tors. eta vs tors. theta energy: -4.424 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: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1165.863610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.863610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.863610 (E_RNA) where: Base-Base interactions energy: -802.137 where: short stacking energy: -328.539 Base-Backbone interact. energy: -3.904 local terms energy: -359.822680 where: bonds (distance) C4'-P energy: -68.607 bonds (distance) P-C4' energy: -68.607 flat angles C4'-P-C4' energy: -85.278 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: -95.336 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: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1054.088040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.088040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.088040 (E_RNA) where: Base-Base interactions energy: -699.861 where: short stacking energy: -328.666 Base-Backbone interact. energy: -1.079 local terms energy: -353.147518 where: bonds (distance) C4'-P energy: -66.270 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -69.450 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -93.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1000.456221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.456221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.456221 (E_RNA) where: Base-Base interactions energy: -651.491 where: short stacking energy: -305.333 Base-Backbone interact. energy: -1.359 local terms energy: -347.606787 where: bonds (distance) C4'-P energy: -67.471 bonds (distance) P-C4' energy: -76.070 flat angles C4'-P-C4' energy: -71.735 flat angles P-C4'-P energy: -46.713 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: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -943.697574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.697574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.697574 (E_RNA) where: Base-Base interactions energy: -636.785 where: short stacking energy: -292.297 Base-Backbone interact. energy: -0.684 local terms energy: -306.228968 where: bonds (distance) C4'-P energy: -61.582 bonds (distance) P-C4' energy: -55.782 flat angles C4'-P-C4' energy: -68.214 flat angles P-C4'-P energy: -51.831 tors. eta vs tors. theta energy: -68.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -907.533543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.533543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.533543 (E_RNA) where: Base-Base interactions energy: -602.982 where: short stacking energy: -269.755 Base-Backbone interact. energy: -0.326 local terms energy: -304.225980 where: bonds (distance) C4'-P energy: -57.413 bonds (distance) P-C4' energy: -52.343 flat angles C4'-P-C4' energy: -74.300 flat angles P-C4'-P energy: -51.627 tors. eta vs tors. theta energy: -68.543 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: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -848.346391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.346391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.346391 (E_RNA) where: Base-Base interactions energy: -574.114 where: short stacking energy: -262.388 Base-Backbone interact. energy: -1.356 local terms energy: -272.876071 where: bonds (distance) C4'-P energy: -46.632 bonds (distance) P-C4' energy: -57.109 flat angles C4'-P-C4' energy: -72.064 flat angles P-C4'-P energy: -27.035 tors. eta vs tors. theta energy: -70.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -763.218836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.218836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.218836 (E_RNA) where: Base-Base interactions energy: -485.476 where: short stacking energy: -228.301 Base-Backbone interact. energy: -1.169 local terms energy: -276.573850 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -30.585 tors. eta vs tors. theta energy: -56.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -583.909697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.909697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.909697 (E_RNA) where: Base-Base interactions energy: -349.792 where: short stacking energy: -154.382 Base-Backbone interact. energy: -1.032 local terms energy: -233.085894 where: bonds (distance) C4'-P energy: -51.268 bonds (distance) P-C4' energy: -62.010 flat angles C4'-P-C4' energy: -62.601 flat angles P-C4'-P energy: -34.051 tors. eta vs tors. theta energy: -23.156 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: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -317.890805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.890805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.890805 (E_RNA) where: Base-Base interactions energy: -123.174 where: short stacking energy: -86.151 Base-Backbone interact. energy: -0.811 local terms energy: -193.905826 where: bonds (distance) C4'-P energy: -62.210 bonds (distance) P-C4' energy: -67.569 flat angles C4'-P-C4' energy: -46.157 flat angles P-C4'-P energy: -23.446 tors. eta vs tors. theta energy: 5.476 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: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -305.578920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.578920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.578920 (E_RNA) where: Base-Base interactions energy: -98.796 where: short stacking energy: -79.942 Base-Backbone interact. energy: -3.156 local terms energy: -203.626493 where: bonds (distance) C4'-P energy: -58.027 bonds (distance) P-C4' energy: -73.135 flat angles C4'-P-C4' energy: -40.764 flat angles P-C4'-P energy: -34.109 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: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1130.827177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.827177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.827177 (E_RNA) where: Base-Base interactions energy: -765.119 where: short stacking energy: -336.296 Base-Backbone interact. energy: -2.134 local terms energy: -363.574453 where: bonds (distance) C4'-P energy: -62.422 bonds (distance) P-C4' energy: -68.815 flat angles C4'-P-C4' energy: -80.376 flat angles P-C4'-P energy: -53.561 tors. eta vs tors. theta energy: -98.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1079.013577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.013577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.013577 (E_RNA) where: Base-Base interactions energy: -714.509 where: short stacking energy: -324.810 Base-Backbone interact. energy: -1.190 local terms energy: -363.314835 where: bonds (distance) C4'-P energy: -73.024 bonds (distance) P-C4' energy: -73.067 flat angles C4'-P-C4' energy: -71.708 flat angles P-C4'-P energy: -52.777 tors. eta vs tors. theta energy: -92.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1009.371651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.371651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.371651 (E_RNA) where: Base-Base interactions energy: -664.762 where: short stacking energy: -314.150 Base-Backbone interact. energy: -0.749 local terms energy: -343.860147 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -71.946 flat angles C4'-P-C4' energy: -75.238 flat angles P-C4'-P energy: -42.146 tors. eta vs tors. theta energy: -89.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -927.933021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.933021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.933021 (E_RNA) where: Base-Base interactions energy: -585.143 where: short stacking energy: -260.059 Base-Backbone interact. energy: -1.306 local terms energy: -341.483924 where: bonds (distance) C4'-P energy: -67.471 bonds (distance) P-C4' energy: -78.478 flat angles C4'-P-C4' energy: -80.260 flat angles P-C4'-P energy: -40.608 tors. eta vs tors. theta energy: -74.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -914.007924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.007924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.007924 (E_RNA) where: Base-Base interactions energy: -599.189 where: short stacking energy: -275.304 Base-Backbone interact. energy: -0.315 local terms energy: -314.503538 where: bonds (distance) C4'-P energy: -66.760 bonds (distance) P-C4' energy: -70.660 flat angles C4'-P-C4' energy: -69.548 flat angles P-C4'-P energy: -38.981 tors. eta vs tors. theta energy: -68.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -854.212604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.212604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.212604 (E_RNA) where: Base-Base interactions energy: -560.290 where: short stacking energy: -255.802 Base-Backbone interact. energy: 0.861 local terms energy: -294.784240 where: bonds (distance) C4'-P energy: -58.820 bonds (distance) P-C4' energy: -61.697 flat angles C4'-P-C4' energy: -63.020 flat angles P-C4'-P energy: -39.899 tors. eta vs tors. theta energy: -71.347 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: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -805.255258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.255258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.255258 (E_RNA) where: Base-Base interactions energy: -518.422 where: short stacking energy: -243.178 Base-Backbone interact. energy: -1.086 local terms energy: -285.747694 where: bonds (distance) C4'-P energy: -50.188 bonds (distance) P-C4' energy: -75.151 flat angles C4'-P-C4' energy: -63.937 flat angles P-C4'-P energy: -33.963 tors. eta vs tors. theta energy: -62.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -578.440029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.440029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.440029 (E_RNA) where: Base-Base interactions energy: -341.997 where: short stacking energy: -165.115 Base-Backbone interact. energy: -0.738 local terms energy: -235.705676 where: bonds (distance) C4'-P energy: -41.491 bonds (distance) P-C4' energy: -60.364 flat angles C4'-P-C4' energy: -64.372 flat angles P-C4'-P energy: -30.319 tors. eta vs tors. theta energy: -39.160 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: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -305.009336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.009336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.009336 (E_RNA) where: Base-Base interactions energy: -117.325 where: short stacking energy: -92.916 Base-Backbone interact. energy: -0.787 local terms energy: -186.897812 where: bonds (distance) C4'-P energy: -61.947 bonds (distance) P-C4' energy: -51.669 flat angles C4'-P-C4' energy: -58.425 flat angles P-C4'-P energy: -27.089 tors. eta vs tors. theta energy: 12.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -303.522111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.522111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.522111 (E_RNA) where: Base-Base interactions energy: -116.042 where: short stacking energy: -94.033 Base-Backbone interact. energy: 0.070 local terms energy: -187.549746 where: bonds (distance) C4'-P energy: -68.194 bonds (distance) P-C4' energy: -47.791 flat angles C4'-P-C4' energy: -49.591 flat angles P-C4'-P energy: -26.437 tors. eta vs tors. theta energy: 4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1139.631158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.631158 (E_RNA) where: Base-Base interactions energy: -788.506 where: short stacking energy: -337.686 Base-Backbone interact. energy: 2.787 local terms energy: -353.912742 where: bonds (distance) C4'-P energy: -69.310 bonds (distance) P-C4' energy: -65.375 flat angles C4'-P-C4' energy: -82.104 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -99.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1067.603977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.603977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.603977 (E_RNA) where: Base-Base interactions energy: -720.974 where: short stacking energy: -322.218 Base-Backbone interact. energy: -1.277 local terms energy: -345.352472 where: bonds (distance) C4'-P energy: -66.816 bonds (distance) P-C4' energy: -55.899 flat angles C4'-P-C4' energy: -76.914 flat angles P-C4'-P energy: -52.942 tors. eta vs tors. theta energy: -92.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1016.967847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.967847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.967847 (E_RNA) where: Base-Base interactions energy: -673.896 where: short stacking energy: -326.434 Base-Backbone interact. energy: 0.882 local terms energy: -343.953110 where: bonds (distance) C4'-P energy: -62.653 bonds (distance) P-C4' energy: -62.276 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -52.797 tors. eta vs tors. theta energy: -98.663 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: 4, replica: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -921.117250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.117250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.117250 (E_RNA) where: Base-Base interactions energy: -599.950 where: short stacking energy: -254.182 Base-Backbone interact. energy: -0.168 local terms energy: -320.998780 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -69.927 flat angles C4'-P-C4' energy: -67.681 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -75.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -932.854622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.854622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.854622 (E_RNA) where: Base-Base interactions energy: -609.821 where: short stacking energy: -276.556 Base-Backbone interact. energy: 0.130 local terms energy: -323.163777 where: bonds (distance) C4'-P energy: -62.514 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -65.097 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -76.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -874.336383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.336383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.336383 (E_RNA) where: Base-Base interactions energy: -559.552 where: short stacking energy: -256.332 Base-Backbone interact. energy: -2.188 local terms energy: -312.595934 where: bonds (distance) C4'-P energy: -59.710 bonds (distance) P-C4' energy: -62.384 flat angles C4'-P-C4' energy: -70.876 flat angles P-C4'-P energy: -45.122 tors. eta vs tors. theta energy: -74.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -772.275261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.275261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.275261 (E_RNA) where: Base-Base interactions energy: -513.608 where: short stacking energy: -230.219 Base-Backbone interact. energy: -0.730 local terms energy: -257.936865 where: bonds (distance) C4'-P energy: -64.917 bonds (distance) P-C4' energy: -52.014 flat angles C4'-P-C4' energy: -52.355 flat angles P-C4'-P energy: -33.140 tors. eta vs tors. theta energy: -55.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -630.271815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.271815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.271815 (E_RNA) where: Base-Base interactions energy: -386.262 where: short stacking energy: -173.411 Base-Backbone interact. energy: -1.777 local terms energy: -242.232497 where: bonds (distance) C4'-P energy: -62.764 bonds (distance) P-C4' energy: -54.522 flat angles C4'-P-C4' energy: -44.131 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -35.474 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: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -327.155867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.155867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.155867 (E_RNA) where: Base-Base interactions energy: -136.147 where: short stacking energy: -118.778 Base-Backbone interact. energy: -1.592 local terms energy: -189.416670 where: bonds (distance) C4'-P energy: -48.483 bonds (distance) P-C4' energy: -56.648 flat angles C4'-P-C4' energy: -60.377 flat angles P-C4'-P energy: -21.382 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -292.712599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.712599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.712599 (E_RNA) where: Base-Base interactions energy: -79.356 where: short stacking energy: -74.781 Base-Backbone interact. energy: -0.243 local terms energy: -213.113142 where: bonds (distance) C4'-P energy: -67.503 bonds (distance) P-C4' energy: -69.088 flat angles C4'-P-C4' energy: -56.425 flat angles P-C4'-P energy: -21.579 tors. eta vs tors. theta energy: 1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1133.911445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.911445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.911445 (E_RNA) where: Base-Base interactions energy: -769.325 where: short stacking energy: -333.227 Base-Backbone interact. energy: -1.877 local terms energy: -362.709074 where: bonds (distance) C4'-P energy: -73.432 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -74.690 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -93.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1073.889810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.889810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.889810 (E_RNA) where: Base-Base interactions energy: -717.949 where: short stacking energy: -328.610 Base-Backbone interact. energy: -1.433 local terms energy: -354.507705 where: bonds (distance) C4'-P energy: -69.282 bonds (distance) P-C4' energy: -76.189 flat angles C4'-P-C4' energy: -73.958 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -92.242 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: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -989.698998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.698998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.698998 (E_RNA) where: Base-Base interactions energy: -656.372 where: short stacking energy: -318.661 Base-Backbone interact. energy: -1.631 local terms energy: -331.696789 where: bonds (distance) C4'-P energy: -54.334 bonds (distance) P-C4' energy: -71.292 flat angles C4'-P-C4' energy: -65.684 flat angles P-C4'-P energy: -54.704 tors. eta vs tors. theta energy: -85.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -943.897889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.897889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.897889 (E_RNA) where: Base-Base interactions energy: -615.472 where: short stacking energy: -267.566 Base-Backbone interact. energy: -0.739 local terms energy: -327.687088 where: bonds (distance) C4'-P energy: -73.143 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -72.105 flat angles P-C4'-P energy: -47.443 tors. eta vs tors. theta energy: -77.951 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: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -934.355731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.355731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.355731 (E_RNA) where: Base-Base interactions energy: -615.334 where: short stacking energy: -268.638 Base-Backbone interact. energy: 2.319 local terms energy: -321.341564 where: bonds (distance) C4'-P energy: -57.318 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -69.933 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: -75.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -830.907820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.907820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.907820 (E_RNA) where: Base-Base interactions energy: -552.187 where: short stacking energy: -242.738 Base-Backbone interact. energy: -2.094 local terms energy: -276.626882 where: bonds (distance) C4'-P energy: -52.381 bonds (distance) P-C4' energy: -51.603 flat angles C4'-P-C4' energy: -70.041 flat angles P-C4'-P energy: -36.771 tors. eta vs tors. theta energy: -65.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -761.021564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.021564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.021564 (E_RNA) where: Base-Base interactions energy: -465.798 where: short stacking energy: -207.760 Base-Backbone interact. energy: -1.164 local terms energy: -294.059088 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -62.454 flat angles P-C4'-P energy: -46.020 tors. eta vs tors. theta energy: -64.632 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: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -582.676275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.676275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.676275 (E_RNA) where: Base-Base interactions energy: -352.465 where: short stacking energy: -181.969 Base-Backbone interact. energy: -0.564 local terms energy: -229.647318 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -57.776 flat angles C4'-P-C4' energy: -64.704 flat angles P-C4'-P energy: -19.235 tors. eta vs tors. theta energy: -30.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -320.550802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.550802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.550802 (E_RNA) where: Base-Base interactions energy: -121.314 where: short stacking energy: -105.763 Base-Backbone interact. energy: -1.760 local terms energy: -197.476267 where: bonds (distance) C4'-P energy: -52.384 bonds (distance) P-C4' energy: -60.954 flat angles C4'-P-C4' energy: -58.086 flat angles P-C4'-P energy: -27.655 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: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -300.142884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.142884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.142884 (E_RNA) where: Base-Base interactions energy: -111.092 where: short stacking energy: -95.100 Base-Backbone interact. energy: 0.183 local terms energy: -189.234749 where: bonds (distance) C4'-P energy: -55.399 bonds (distance) P-C4' energy: -56.513 flat angles C4'-P-C4' energy: -49.961 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: 8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1137.977911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.977911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.977911 (E_RNA) where: Base-Base interactions energy: -784.564 where: short stacking energy: -320.965 Base-Backbone interact. energy: 1.406 local terms energy: -354.819952 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -67.363 flat angles C4'-P-C4' energy: -77.893 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -89.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1091.802247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.802247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.802247 (E_RNA) where: Base-Base interactions energy: -740.449 where: short stacking energy: -340.925 Base-Backbone interact. energy: -0.712 local terms energy: -350.641591 where: bonds (distance) C4'-P energy: -72.739 bonds (distance) P-C4' energy: -50.388 flat angles C4'-P-C4' energy: -77.234 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -97.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1019.297542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.297542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.297542 (E_RNA) where: Base-Base interactions energy: -678.043 where: short stacking energy: -331.428 Base-Backbone interact. energy: -0.495 local terms energy: -340.759032 where: bonds (distance) C4'-P energy: -56.878 bonds (distance) P-C4' energy: -71.115 flat angles C4'-P-C4' energy: -70.530 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -90.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -915.933545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.933545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.933545 (E_RNA) where: Base-Base interactions energy: -594.323 where: short stacking energy: -273.536 Base-Backbone interact. energy: -0.659 local terms energy: -320.951684 where: bonds (distance) C4'-P energy: -63.423 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -71.286 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -73.129 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: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -903.282284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.282284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.282284 (E_RNA) where: Base-Base interactions energy: -587.609 where: short stacking energy: -276.669 Base-Backbone interact. energy: -1.413 local terms energy: -314.260708 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: -68.035 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: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -804.722123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.722123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.722123 (E_RNA) where: Base-Base interactions energy: -516.499 where: short stacking energy: -264.959 Base-Backbone interact. energy: -1.151 local terms energy: -287.071421 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -53.431 flat angles C4'-P-C4' energy: -61.850 flat angles P-C4'-P energy: -42.041 tors. eta vs tors. theta energy: -71.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -757.473337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.473337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.473337 (E_RNA) where: Base-Base interactions energy: -481.471 where: short stacking energy: -241.738 Base-Backbone interact. energy: 2.202 local terms energy: -278.203879 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -48.922 flat angles C4'-P-C4' energy: -65.593 flat angles P-C4'-P energy: -38.051 tors. eta vs tors. theta energy: -70.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -580.991994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.991994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.991994 (E_RNA) where: Base-Base interactions energy: -361.375 where: short stacking energy: -162.933 Base-Backbone interact. energy: -0.295 local terms energy: -219.321981 where: bonds (distance) C4'-P energy: -47.820 bonds (distance) P-C4' energy: -53.861 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -23.753 tors. eta vs tors. theta energy: -34.934 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: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -318.805505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.805505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.805505 (E_RNA) where: Base-Base interactions energy: -124.106 where: short stacking energy: -101.378 Base-Backbone interact. energy: -1.798 local terms energy: -192.901738 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -55.958 flat angles C4'-P-C4' energy: -58.993 flat angles P-C4'-P energy: -15.988 tors. eta vs tors. theta energy: -10.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -275.966663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.966663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.966663 (E_RNA) where: Base-Base interactions energy: -96.567 where: short stacking energy: -76.167 Base-Backbone interact. energy: 6.894 local terms energy: -186.293633 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -66.399 flat angles C4'-P-C4' energy: -46.231 flat angles P-C4'-P energy: -34.034 tors. eta vs tors. theta energy: 14.562 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: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1150.750625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.750625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.750625 (E_RNA) where: Base-Base interactions energy: -797.183 where: short stacking energy: -319.187 Base-Backbone interact. energy: -0.218 local terms energy: -353.349837 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -69.392 flat angles C4'-P-C4' energy: -71.870 flat angles P-C4'-P energy: -53.529 tors. eta vs tors. theta energy: -93.310 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: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1084.746907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.746907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.746907 (E_RNA) where: Base-Base interactions energy: -730.904 where: short stacking energy: -326.713 Base-Backbone interact. energy: -1.046 local terms energy: -352.797130 where: bonds (distance) C4'-P energy: -68.433 bonds (distance) P-C4' energy: -59.765 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -94.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1002.555123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.555123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.555123 (E_RNA) where: Base-Base interactions energy: -653.389 where: short stacking energy: -287.832 Base-Backbone interact. energy: -0.365 local terms energy: -348.801334 where: bonds (distance) C4'-P energy: -67.884 bonds (distance) P-C4' energy: -64.406 flat angles C4'-P-C4' energy: -76.483 flat angles P-C4'-P energy: -50.502 tors. eta vs tors. theta energy: -89.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -969.368059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.368059 (E_RNA) where: Base-Base interactions energy: -623.076 where: short stacking energy: -271.003 Base-Backbone interact. energy: -1.377 local terms energy: -344.915125 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -76.362 flat angles C4'-P-C4' energy: -76.422 flat angles P-C4'-P energy: -50.668 tors. eta vs tors. theta energy: -79.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -910.833079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.833079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.833079 (E_RNA) where: Base-Base interactions energy: -587.954 where: short stacking energy: -250.479 Base-Backbone interact. energy: -1.816 local terms energy: -321.063827 where: bonds (distance) C4'-P energy: -73.278 bonds (distance) P-C4' energy: -59.716 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -73.075 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: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -859.642705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.642705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.642705 (E_RNA) where: Base-Base interactions energy: -545.869 where: short stacking energy: -273.592 Base-Backbone interact. energy: -0.875 local terms energy: -312.899567 where: bonds (distance) C4'-P energy: -67.041 bonds (distance) P-C4' energy: -55.336 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -47.939 tors. eta vs tors. theta energy: -74.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -747.955481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.955481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.955481 (E_RNA) where: Base-Base interactions energy: -470.144 where: short stacking energy: -213.012 Base-Backbone interact. energy: -1.389 local terms energy: -276.422654 where: bonds (distance) C4'-P energy: -55.723 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -32.100 tors. eta vs tors. theta energy: -49.932 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: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -572.652360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.652360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.652360 (E_RNA) where: Base-Base interactions energy: -334.288 where: short stacking energy: -183.762 Base-Backbone interact. energy: 1.604 local terms energy: -239.968742 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -67.970 flat angles C4'-P-C4' energy: -47.801 flat angles P-C4'-P energy: -32.502 tors. eta vs tors. theta energy: -37.939 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: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -327.896708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.896708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.896708 (E_RNA) where: Base-Base interactions energy: -123.242 where: short stacking energy: -98.269 Base-Backbone interact. energy: -0.991 local terms energy: -203.664067 where: bonds (distance) C4'-P energy: -66.393 bonds (distance) P-C4' energy: -51.805 flat angles C4'-P-C4' energy: -42.636 flat angles P-C4'-P energy: -46.820 tors. eta vs tors. theta energy: 3.990 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -310.365828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.365828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.365828 (E_RNA) where: Base-Base interactions energy: -126.481 where: short stacking energy: -76.861 Base-Backbone interact. energy: -0.278 local terms energy: -183.606863 where: bonds (distance) C4'-P energy: -50.719 bonds (distance) P-C4' energy: -64.942 flat angles C4'-P-C4' energy: -55.938 flat angles P-C4'-P energy: -16.087 tors. eta vs tors. theta energy: 4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1129.163474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.163474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.163474 (E_RNA) where: Base-Base interactions energy: -769.410 where: short stacking energy: -334.358 Base-Backbone interact. energy: 0.418 local terms energy: -360.172011 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -70.939 flat angles C4'-P-C4' energy: -78.516 flat angles P-C4'-P energy: -52.908 tors. eta vs tors. theta energy: -101.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1083.730571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.730571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.730571 (E_RNA) where: Base-Base interactions energy: -727.192 where: short stacking energy: -339.968 Base-Backbone interact. energy: -1.237 local terms energy: -355.301639 where: bonds (distance) C4'-P energy: -67.416 bonds (distance) P-C4' energy: -67.088 flat angles C4'-P-C4' energy: -72.513 flat angles P-C4'-P energy: -53.919 tors. eta vs tors. theta energy: -94.366 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -994.235302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.235302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.235302 (E_RNA) where: Base-Base interactions energy: -655.903 where: short stacking energy: -297.525 Base-Backbone interact. energy: -1.841 local terms energy: -336.490587 where: bonds (distance) C4'-P energy: -60.994 bonds (distance) P-C4' energy: -76.753 flat angles C4'-P-C4' energy: -70.440 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -80.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -956.249532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.249532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.249532 (E_RNA) where: Base-Base interactions energy: -641.021 where: short stacking energy: -285.334 Base-Backbone interact. energy: -1.039 local terms energy: -314.189453 where: bonds (distance) C4'-P energy: -49.370 bonds (distance) P-C4' energy: -72.433 flat angles C4'-P-C4' energy: -74.800 flat angles P-C4'-P energy: -35.114 tors. eta vs tors. theta energy: -82.472 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: 5, replica: 9 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -862.905527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.905527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.905527 (E_RNA) where: Base-Base interactions energy: -567.163 where: short stacking energy: -242.172 Base-Backbone interact. energy: 1.182 local terms energy: -296.925154 where: bonds (distance) C4'-P energy: -65.616 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -63.486 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -66.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -877.426512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.426512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.426512 (E_RNA) where: Base-Base interactions energy: -577.423 where: short stacking energy: -255.126 Base-Backbone interact. energy: -0.846 local terms energy: -299.157297 where: bonds (distance) C4'-P energy: -70.915 bonds (distance) P-C4' energy: -70.107 flat angles C4'-P-C4' energy: -61.097 flat angles P-C4'-P energy: -29.228 tors. eta vs tors. theta energy: -67.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -758.265625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.265625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.265625 (E_RNA) where: Base-Base interactions energy: -486.016 where: short stacking energy: -234.505 Base-Backbone interact. energy: 0.879 local terms energy: -273.128658 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -53.860 flat angles C4'-P-C4' energy: -69.200 flat angles P-C4'-P energy: -30.881 tors. eta vs tors. theta energy: -56.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -562.332957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.332957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.332957 (E_RNA) where: Base-Base interactions energy: -338.741 where: short stacking energy: -166.729 Base-Backbone interact. energy: -0.897 local terms energy: -222.694449 where: bonds (distance) C4'-P energy: -45.917 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -56.661 flat angles P-C4'-P energy: -28.927 tors. eta vs tors. theta energy: -30.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -337.674414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.674414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.674414 (E_RNA) where: Base-Base interactions energy: -133.882 where: short stacking energy: -100.949 Base-Backbone interact. energy: -2.737 local terms energy: -201.055510 where: bonds (distance) C4'-P energy: -64.594 bonds (distance) P-C4' energy: -59.267 flat angles C4'-P-C4' energy: -46.139 flat angles P-C4'-P energy: -27.451 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -296.489919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.489919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.489919 (E_RNA) where: Base-Base interactions energy: -112.597 where: short stacking energy: -92.464 Base-Backbone interact. energy: -1.435 local terms energy: -182.458542 where: bonds (distance) C4'-P energy: -39.851 bonds (distance) P-C4' energy: -75.801 flat angles C4'-P-C4' energy: -45.463 flat angles P-C4'-P energy: -24.534 tors. eta vs tors. theta energy: 3.191 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: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1150.528087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.528087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.528087 (E_RNA) where: Base-Base interactions energy: -779.405 where: short stacking energy: -338.605 Base-Backbone interact. energy: -4.663 local terms energy: -366.460219 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -77.365 flat angles C4'-P-C4' energy: -79.466 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: -98.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1094.919822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.919822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.919822 (E_RNA) where: Base-Base interactions energy: -737.499 where: short stacking energy: -330.781 Base-Backbone interact. energy: -0.275 local terms energy: -357.145252 where: bonds (distance) C4'-P energy: -65.996 bonds (distance) P-C4' energy: -66.903 flat angles C4'-P-C4' energy: -77.894 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -97.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -972.197252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.197252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.197252 (E_RNA) where: Base-Base interactions energy: -649.430 where: short stacking energy: -292.866 Base-Backbone interact. energy: -0.368 local terms energy: -322.399652 where: bonds (distance) C4'-P energy: -67.616 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -69.198 flat angles P-C4'-P energy: -36.117 tors. eta vs tors. theta energy: -82.878 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: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -967.450686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.450686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.450686 (E_RNA) where: Base-Base interactions energy: -641.220 where: short stacking energy: -325.409 Base-Backbone interact. energy: -0.589 local terms energy: -325.642305 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -56.958 flat angles C4'-P-C4' energy: -67.241 flat angles P-C4'-P energy: -43.987 tors. eta vs tors. theta energy: -92.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -886.156607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.156607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.156607 (E_RNA) where: Base-Base interactions energy: -580.874 where: short stacking energy: -275.537 Base-Backbone interact. energy: 0.825 local terms energy: -306.107643 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -63.879 flat angles C4'-P-C4' energy: -54.240 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -68.109 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: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -881.665865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.665865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.665865 (E_RNA) where: Base-Base interactions energy: -567.009 where: short stacking energy: -246.157 Base-Backbone interact. energy: 0.371 local terms energy: -315.028112 where: bonds (distance) C4'-P energy: -68.308 bonds (distance) P-C4' energy: -62.454 flat angles C4'-P-C4' energy: -66.973 flat angles P-C4'-P energy: -51.386 tors. eta vs tors. theta energy: -65.907 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: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -771.697287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.697287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.697287 (E_RNA) where: Base-Base interactions energy: -446.021 where: short stacking energy: -217.631 Base-Backbone interact. energy: -1.091 local terms energy: -324.585765 where: bonds (distance) C4'-P energy: -67.019 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -60.555 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -67.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -536.754728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.754728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.754728 (E_RNA) where: Base-Base interactions energy: -302.104 where: short stacking energy: -166.026 Base-Backbone interact. energy: 0.660 local terms energy: -235.311112 where: bonds (distance) C4'-P energy: -73.424 bonds (distance) P-C4' energy: -57.584 flat angles C4'-P-C4' energy: -59.159 flat angles P-C4'-P energy: -22.139 tors. eta vs tors. theta energy: -23.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -317.040520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.040520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.040520 (E_RNA) where: Base-Base interactions energy: -124.511 where: short stacking energy: -97.048 Base-Backbone interact. energy: 0.085 local terms energy: -192.614255 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -51.379 flat angles C4'-P-C4' energy: -54.421 flat angles P-C4'-P energy: -26.126 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -283.424600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.424600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.424600 (E_RNA) where: Base-Base interactions energy: -93.219 where: short stacking energy: -88.343 Base-Backbone interact. energy: 3.741 local terms energy: -193.946668 where: bonds (distance) C4'-P energy: -49.217 bonds (distance) P-C4' energy: -66.541 flat angles C4'-P-C4' energy: -53.601 flat angles P-C4'-P energy: -34.180 tors. eta vs tors. theta energy: 9.592 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: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1144.476627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.476627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.476627 (E_RNA) where: Base-Base interactions energy: -785.842 where: short stacking energy: -331.573 Base-Backbone interact. energy: -3.277 local terms energy: -355.356892 where: bonds (distance) C4'-P energy: -71.612 bonds (distance) P-C4' energy: -72.208 flat angles C4'-P-C4' energy: -74.767 flat angles P-C4'-P energy: -46.932 tors. eta vs tors. theta energy: -89.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1071.539885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.539885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.539885 (E_RNA) where: Base-Base interactions energy: -719.342 where: short stacking energy: -317.753 Base-Backbone interact. energy: -1.045 local terms energy: -351.153224 where: bonds (distance) C4'-P energy: -72.875 bonds (distance) P-C4' energy: -59.924 flat angles C4'-P-C4' energy: -73.285 flat angles P-C4'-P energy: -45.144 tors. eta vs tors. theta energy: -99.925 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: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -982.386541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.386541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.386541 (E_RNA) where: Base-Base interactions energy: -644.001 where: short stacking energy: -300.281 Base-Backbone interact. energy: -0.479 local terms energy: -337.906480 where: bonds (distance) C4'-P energy: -57.040 bonds (distance) P-C4' energy: -70.403 flat angles C4'-P-C4' energy: -75.349 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: -90.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -947.899526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.899526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.899526 (E_RNA) where: Base-Base interactions energy: -597.599 where: short stacking energy: -264.463 Base-Backbone interact. energy: -3.931 local terms energy: -346.369307 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -83.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -882.347120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.347120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.347120 (E_RNA) where: Base-Base interactions energy: -581.264 where: short stacking energy: -271.078 Base-Backbone interact. energy: 0.059 local terms energy: -301.142043 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -59.195 flat angles C4'-P-C4' energy: -62.893 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -74.667 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: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -861.287410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.287410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.287410 (E_RNA) where: Base-Base interactions energy: -567.809 where: short stacking energy: -263.550 Base-Backbone interact. energy: 0.278 local terms energy: -293.756889 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -69.944 flat angles C4'-P-C4' energy: -64.273 flat angles P-C4'-P energy: -31.057 tors. eta vs tors. theta energy: -70.232 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: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -761.425954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.425954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.425954 (E_RNA) where: Base-Base interactions energy: -470.678 where: short stacking energy: -227.729 Base-Backbone interact. energy: -1.636 local terms energy: -289.112268 where: bonds (distance) C4'-P energy: -58.891 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -38.300 tors. eta vs tors. theta energy: -65.790 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: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -536.532906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.532906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.532906 (E_RNA) where: Base-Base interactions energy: -315.447 where: short stacking energy: -151.055 Base-Backbone interact. energy: -0.639 local terms energy: -220.447013 where: bonds (distance) C4'-P energy: -60.695 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -60.364 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -370.319085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.319085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.319085 (E_RNA) where: Base-Base interactions energy: -186.200 where: short stacking energy: -101.711 Base-Backbone interact. energy: 2.641 local terms energy: -186.759983 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -45.994 flat angles C4'-P-C4' energy: -53.576 flat angles P-C4'-P energy: -26.826 tors. eta vs tors. theta energy: 0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -287.223764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.223764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.223764 (E_RNA) where: Base-Base interactions energy: -111.443 where: short stacking energy: -87.013 Base-Backbone interact. energy: 3.258 local terms energy: -179.038617 where: bonds (distance) C4'-P energy: -54.565 bonds (distance) P-C4' energy: -51.775 flat angles C4'-P-C4' energy: -45.313 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: 5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1140.183971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.183971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.183971 (E_RNA) where: Base-Base interactions energy: -792.357 where: short stacking energy: -343.169 Base-Backbone interact. energy: -1.376 local terms energy: -346.450818 where: bonds (distance) C4'-P energy: -62.762 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -49.741 tors. eta vs tors. theta energy: -95.179 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: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1082.502163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.502163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.502163 (E_RNA) where: Base-Base interactions energy: -733.124 where: short stacking energy: -314.541 Base-Backbone interact. energy: -1.193 local terms energy: -348.185853 where: bonds (distance) C4'-P energy: -55.386 bonds (distance) P-C4' energy: -69.778 flat angles C4'-P-C4' energy: -73.617 flat angles P-C4'-P energy: -57.835 tors. eta vs tors. theta energy: -91.569 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: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1030.269309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.269309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.269309 (E_RNA) where: Base-Base interactions energy: -682.803 where: short stacking energy: -346.027 Base-Backbone interact. energy: -1.080 local terms energy: -346.385626 where: bonds (distance) C4'-P energy: -70.012 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -71.841 flat angles P-C4'-P energy: -44.942 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: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -944.824305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.824305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.824305 (E_RNA) where: Base-Base interactions energy: -630.246 where: short stacking energy: -284.786 Base-Backbone interact. energy: -0.405 local terms energy: -314.173414 where: bonds (distance) C4'-P energy: -64.012 bonds (distance) P-C4' energy: -67.738 flat angles C4'-P-C4' energy: -63.776 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -77.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -837.019767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.019767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.019767 (E_RNA) where: Base-Base interactions energy: -535.451 where: short stacking energy: -230.658 Base-Backbone interact. energy: -0.536 local terms energy: -301.032656 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -72.723 flat angles C4'-P-C4' energy: -63.195 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -57.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -871.420529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.420529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.420529 (E_RNA) where: Base-Base interactions energy: -560.721 where: short stacking energy: -252.587 Base-Backbone interact. energy: -1.030 local terms energy: -309.669309 where: bonds (distance) C4'-P energy: -59.337 bonds (distance) P-C4' energy: -68.921 flat angles C4'-P-C4' energy: -64.816 flat angles P-C4'-P energy: -41.337 tors. eta vs tors. theta energy: -75.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -795.853397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.853397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.853397 (E_RNA) where: Base-Base interactions energy: -505.406 where: short stacking energy: -222.033 Base-Backbone interact. energy: -0.360 local terms energy: -290.087607 where: bonds (distance) C4'-P energy: -65.545 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -66.979 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -64.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -551.543208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.543208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.543208 (E_RNA) where: Base-Base interactions energy: -304.083 where: short stacking energy: -160.716 Base-Backbone interact. energy: -0.012 local terms energy: -247.448068 where: bonds (distance) C4'-P energy: -52.874 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -45.839 tors. eta vs tors. theta energy: -26.090 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: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -376.238289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.238289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.238289 (E_RNA) where: Base-Base interactions energy: -194.261 where: short stacking energy: -138.124 Base-Backbone interact. energy: 1.905 local terms energy: -183.882521 where: bonds (distance) C4'-P energy: -34.614 bonds (distance) P-C4' energy: -64.416 flat angles C4'-P-C4' energy: -55.280 flat angles P-C4'-P energy: -19.101 tors. eta vs tors. theta energy: -10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -291.630554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.630554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.630554 (E_RNA) where: Base-Base interactions energy: -93.239 where: short stacking energy: -72.874 Base-Backbone interact. energy: -0.759 local terms energy: -197.632133 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -65.137 flat angles C4'-P-C4' energy: -52.901 flat angles P-C4'-P energy: -32.543 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: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1141.699409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.699409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.699409 (E_RNA) where: Base-Base interactions energy: -784.700 where: short stacking energy: -325.580 Base-Backbone interact. energy: -0.782 local terms energy: -356.216834 where: bonds (distance) C4'-P energy: -65.778 bonds (distance) P-C4' energy: -68.292 flat angles C4'-P-C4' energy: -75.165 flat angles P-C4'-P energy: -51.728 tors. eta vs tors. theta energy: -95.253 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: 418 Temperature: 0.950000 Total energy: -1100.456382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.456382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.456382 (E_RNA) where: Base-Base interactions energy: -752.332 where: short stacking energy: -337.065 Base-Backbone interact. energy: -0.844 local terms energy: -347.279830 where: bonds (distance) C4'-P energy: -52.377 bonds (distance) P-C4' energy: -68.194 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -50.127 tors. eta vs tors. theta energy: -99.148 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: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1003.550060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.550060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.550060 (E_RNA) where: Base-Base interactions energy: -657.623 where: short stacking energy: -301.473 Base-Backbone interact. energy: -0.052 local terms energy: -345.874950 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -70.150 flat angles C4'-P-C4' energy: -68.778 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -88.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -943.464802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.464802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.464802 (E_RNA) where: Base-Base interactions energy: -623.406 where: short stacking energy: -279.776 Base-Backbone interact. energy: -1.342 local terms energy: -318.716903 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -62.835 flat angles C4'-P-C4' energy: -68.034 flat angles P-C4'-P energy: -42.519 tors. eta vs tors. theta energy: -76.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -909.397347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.397347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.397347 (E_RNA) where: Base-Base interactions energy: -594.903 where: short stacking energy: -253.427 Base-Backbone interact. energy: -2.400 local terms energy: -312.093815 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -66.495 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -71.620 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: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -810.125813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.125813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.125813 (E_RNA) where: Base-Base interactions energy: -521.066 where: short stacking energy: -246.807 Base-Backbone interact. energy: -1.339 local terms energy: -287.720792 where: bonds (distance) C4'-P energy: -59.456 bonds (distance) P-C4' energy: -69.608 flat angles C4'-P-C4' energy: -64.499 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -51.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -782.920784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.920784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.920784 (E_RNA) where: Base-Base interactions energy: -501.881 where: short stacking energy: -221.502 Base-Backbone interact. energy: -0.320 local terms energy: -280.719934 where: bonds (distance) C4'-P energy: -59.231 bonds (distance) P-C4' energy: -64.229 flat angles C4'-P-C4' energy: -67.895 flat angles P-C4'-P energy: -30.675 tors. eta vs tors. theta energy: -58.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -524.218083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.218083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.218083 (E_RNA) where: Base-Base interactions energy: -293.257 where: short stacking energy: -154.872 Base-Backbone interact. energy: 2.403 local terms energy: -233.364064 where: bonds (distance) C4'-P energy: -54.065 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -54.815 flat angles P-C4'-P energy: -39.899 tors. eta vs tors. theta energy: -19.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -396.941743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.941743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.941743 (E_RNA) where: Base-Base interactions energy: -191.033 where: short stacking energy: -98.709 Base-Backbone interact. energy: 2.209 local terms energy: -208.117725 where: bonds (distance) C4'-P energy: -60.623 bonds (distance) P-C4' energy: -58.767 flat angles C4'-P-C4' energy: -60.452 flat angles P-C4'-P energy: -32.885 tors. eta vs tors. theta energy: 4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -276.884371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.884371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.884371 (E_RNA) where: Base-Base interactions energy: -99.321 where: short stacking energy: -75.712 Base-Backbone interact. energy: 1.092 local terms energy: -178.655799 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -60.264 flat angles C4'-P-C4' energy: -30.988 flat angles P-C4'-P energy: -50.490 tors. eta vs tors. theta energy: 20.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1127.914763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.914763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.914763 (E_RNA) where: Base-Base interactions energy: -767.271 where: short stacking energy: -318.860 Base-Backbone interact. energy: -1.558 local terms energy: -359.085609 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -65.752 flat angles C4'-P-C4' energy: -82.987 flat angles P-C4'-P energy: -51.027 tors. eta vs tors. theta energy: -88.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1106.175096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.175096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.175096 (E_RNA) where: Base-Base interactions energy: -746.616 where: short stacking energy: -339.848 Base-Backbone interact. energy: 0.029 local terms energy: -359.587826 where: bonds (distance) C4'-P energy: -62.498 bonds (distance) P-C4' energy: -78.055 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -96.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -971.616360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.616360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.616360 (E_RNA) where: Base-Base interactions energy: -626.225 where: short stacking energy: -293.968 Base-Backbone interact. energy: -0.459 local terms energy: -344.932294 where: bonds (distance) C4'-P energy: -73.405 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -73.208 flat angles P-C4'-P energy: -45.910 tors. eta vs tors. theta energy: -86.118 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: 8 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -982.409558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.409558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.409558 (E_RNA) where: Base-Base interactions energy: -642.662 where: short stacking energy: -300.326 Base-Backbone interact. energy: -0.966 local terms energy: -338.781141 where: bonds (distance) C4'-P energy: -61.353 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -78.483 flat angles P-C4'-P energy: -49.075 tors. eta vs tors. theta energy: -87.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -882.758532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.758532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.758532 (E_RNA) where: Base-Base interactions energy: -581.629 where: short stacking energy: -247.555 Base-Backbone interact. energy: -0.772 local terms energy: -300.357497 where: bonds (distance) C4'-P energy: -64.306 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -65.469 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: -56.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -780.345761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.345761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.345761 (E_RNA) where: Base-Base interactions energy: -502.671 where: short stacking energy: -227.456 Base-Backbone interact. energy: 1.977 local terms energy: -279.652419 where: bonds (distance) C4'-P energy: -53.707 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -63.689 flat angles P-C4'-P energy: -46.077 tors. eta vs tors. theta energy: -58.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -768.969464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.969464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.969464 (E_RNA) where: Base-Base interactions energy: -512.755 where: short stacking energy: -222.034 Base-Backbone interact. energy: -0.881 local terms energy: -255.333331 where: bonds (distance) C4'-P energy: -49.300 bonds (distance) P-C4' energy: -60.282 flat angles C4'-P-C4' energy: -54.382 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -48.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -488.991688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.991688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.991688 (E_RNA) where: Base-Base interactions energy: -261.208 where: short stacking energy: -138.607 Base-Backbone interact. energy: -2.425 local terms energy: -225.358715 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -67.303 flat angles C4'-P-C4' energy: -47.325 flat angles P-C4'-P energy: -32.765 tors. eta vs tors. theta energy: -13.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -321.527793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.527793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.527793 (E_RNA) where: Base-Base interactions energy: -141.640 where: short stacking energy: -110.621 Base-Backbone interact. energy: 0.097 local terms energy: -179.984696 where: bonds (distance) C4'-P energy: -51.394 bonds (distance) P-C4' energy: -61.306 flat angles C4'-P-C4' energy: -45.078 flat angles P-C4'-P energy: -18.622 tors. eta vs tors. theta energy: -3.585 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: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -289.918278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.918278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.918278 (E_RNA) where: Base-Base interactions energy: -112.447 where: short stacking energy: -86.311 Base-Backbone interact. energy: 6.086 local terms energy: -183.557253 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -54.099 flat angles C4'-P-C4' energy: -56.478 flat angles P-C4'-P energy: -22.690 tors. eta vs tors. theta energy: 11.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1125.450236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.450236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.450236 (E_RNA) where: Base-Base interactions energy: -762.742 where: short stacking energy: -340.378 Base-Backbone interact. energy: -2.552 local terms energy: -360.156102 where: bonds (distance) C4'-P energy: -60.846 bonds (distance) P-C4' energy: -76.693 flat angles C4'-P-C4' energy: -78.352 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -91.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1097.815742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.815742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.815742 (E_RNA) where: Base-Base interactions energy: -750.103 where: short stacking energy: -333.493 Base-Backbone interact. energy: -1.447 local terms energy: -346.265371 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -71.582 flat angles C4'-P-C4' energy: -77.379 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -96.872 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: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -980.937526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.937526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.937526 (E_RNA) where: Base-Base interactions energy: -645.919 where: short stacking energy: -298.936 Base-Backbone interact. energy: -0.915 local terms energy: -334.103750 where: bonds (distance) C4'-P energy: -59.267 bonds (distance) P-C4' energy: -69.078 flat angles C4'-P-C4' energy: -78.910 flat angles P-C4'-P energy: -40.042 tors. eta vs tors. theta energy: -86.807 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: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -964.739572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.739572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.739572 (E_RNA) where: Base-Base interactions energy: -642.171 where: short stacking energy: -302.998 Base-Backbone interact. energy: 1.233 local terms energy: -323.801872 where: bonds (distance) C4'-P energy: -59.152 bonds (distance) P-C4' energy: -55.963 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -44.650 tors. eta vs tors. theta energy: -88.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -878.275046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.275046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.275046 (E_RNA) where: Base-Base interactions energy: -587.788 where: short stacking energy: -254.351 Base-Backbone interact. energy: -2.753 local terms energy: -287.733696 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -65.395 flat angles C4'-P-C4' energy: -45.603 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -70.270 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: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -788.775420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.775420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.775420 (E_RNA) where: Base-Base interactions energy: -492.134 where: short stacking energy: -238.767 Base-Backbone interact. energy: -0.224 local terms energy: -296.417554 where: bonds (distance) C4'-P energy: -65.786 bonds (distance) P-C4' energy: -71.597 flat angles C4'-P-C4' energy: -60.360 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: -62.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -757.654545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.654545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.654545 (E_RNA) where: Base-Base interactions energy: -477.329 where: short stacking energy: -225.267 Base-Backbone interact. energy: -2.416 local terms energy: -277.909287 where: bonds (distance) C4'-P energy: -51.913 bonds (distance) P-C4' energy: -59.290 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -59.692 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: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -552.310184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.310184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.310184 (E_RNA) where: Base-Base interactions energy: -319.553 where: short stacking energy: -147.795 Base-Backbone interact. energy: 0.786 local terms energy: -233.542885 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -59.607 flat angles P-C4'-P energy: -38.351 tors. eta vs tors. theta energy: -19.982 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: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -300.598363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.598363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.598363 (E_RNA) where: Base-Base interactions energy: -107.169 where: short stacking energy: -96.653 Base-Backbone interact. energy: -0.352 local terms energy: -193.078348 where: bonds (distance) C4'-P energy: -53.292 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -48.576 flat angles P-C4'-P energy: -33.677 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -277.975864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.975864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.975864 (E_RNA) where: Base-Base interactions energy: -83.073 where: short stacking energy: -74.044 Base-Backbone interact. energy: -1.508 local terms energy: -193.394104 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -42.791 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: 6.978 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: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1123.712582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.712582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.712582 (E_RNA) where: Base-Base interactions energy: -756.446 where: short stacking energy: -334.811 Base-Backbone interact. energy: -1.926 local terms energy: -365.340588 where: bonds (distance) C4'-P energy: -65.009 bonds (distance) P-C4' energy: -73.942 flat angles C4'-P-C4' energy: -78.974 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -99.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1083.275486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.275486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.275486 (E_RNA) where: Base-Base interactions energy: -737.886 where: short stacking energy: -321.580 Base-Backbone interact. energy: -1.393 local terms energy: -343.997011 where: bonds (distance) C4'-P energy: -67.411 bonds (distance) P-C4' energy: -62.340 flat angles C4'-P-C4' energy: -76.832 flat angles P-C4'-P energy: -40.906 tors. eta vs tors. theta energy: -96.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -980.356345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.356345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.356345 (E_RNA) where: Base-Base interactions energy: -631.040 where: short stacking energy: -320.174 Base-Backbone interact. energy: -0.729 local terms energy: -348.587393 where: bonds (distance) C4'-P energy: -68.252 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -73.317 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -94.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -979.660706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.660706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.660706 (E_RNA) where: Base-Base interactions energy: -657.354 where: short stacking energy: -295.267 Base-Backbone interact. energy: -2.685 local terms energy: -319.621310 where: bonds (distance) C4'-P energy: -60.792 bonds (distance) P-C4' energy: -60.595 flat angles C4'-P-C4' energy: -69.263 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -82.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -900.101174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.101174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.101174 (E_RNA) where: Base-Base interactions energy: -598.952 where: short stacking energy: -271.445 Base-Backbone interact. energy: 1.202 local terms energy: -302.350679 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -68.690 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -65.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -803.633311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.633311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.633311 (E_RNA) where: Base-Base interactions energy: -540.635 where: short stacking energy: -235.608 Base-Backbone interact. energy: 0.235 local terms energy: -263.233042 where: bonds (distance) C4'-P energy: -48.314 bonds (distance) P-C4' energy: -57.112 flat angles C4'-P-C4' energy: -56.757 flat angles P-C4'-P energy: -45.861 tors. eta vs tors. theta energy: -55.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -803.103783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.103783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.103783 (E_RNA) where: Base-Base interactions energy: -530.327 where: short stacking energy: -248.830 Base-Backbone interact. energy: 0.118 local terms energy: -272.894613 where: bonds (distance) C4'-P energy: -47.263 bonds (distance) P-C4' energy: -64.442 flat angles C4'-P-C4' energy: -58.321 flat angles P-C4'-P energy: -38.561 tors. eta vs tors. theta energy: -64.307 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: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -523.843775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.843775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.843775 (E_RNA) where: Base-Base interactions energy: -314.712 where: short stacking energy: -139.726 Base-Backbone interact. energy: -2.018 local terms energy: -207.114047 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -62.596 flat angles C4'-P-C4' energy: -48.750 flat angles P-C4'-P energy: -30.884 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -327.183069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.183069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.183069 (E_RNA) where: Base-Base interactions energy: -127.850 where: short stacking energy: -90.867 Base-Backbone interact. energy: -0.389 local terms energy: -198.943979 where: bonds (distance) C4'-P energy: -57.716 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -54.433 flat angles P-C4'-P energy: -30.257 tors. eta vs tors. theta energy: 4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -296.987986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.987986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.987986 (E_RNA) where: Base-Base interactions energy: -100.613 where: short stacking energy: -83.714 Base-Backbone interact. energy: -0.124 local terms energy: -196.251717 where: bonds (distance) C4'-P energy: -44.309 bonds (distance) P-C4' energy: -66.626 flat angles C4'-P-C4' energy: -47.173 flat angles P-C4'-P energy: -43.458 tors. eta vs tors. theta energy: 5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1114.084660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.084660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.084660 (E_RNA) where: Base-Base interactions energy: -779.363 where: short stacking energy: -326.293 Base-Backbone interact. energy: 0.429 local terms energy: -335.150593 where: bonds (distance) C4'-P energy: -66.573 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -68.037 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -83.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1093.778079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.778079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.778079 (E_RNA) where: Base-Base interactions energy: -750.884 where: short stacking energy: -336.803 Base-Backbone interact. energy: -0.778 local terms energy: -342.115936 where: bonds (distance) C4'-P energy: -65.665 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -51.178 tors. eta vs tors. theta energy: -95.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -994.514849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.514849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.514849 (E_RNA) where: Base-Base interactions energy: -643.863 where: short stacking energy: -298.639 Base-Backbone interact. energy: -3.562 local terms energy: -347.090343 where: bonds (distance) C4'-P energy: -70.278 bonds (distance) P-C4' energy: -68.502 flat angles C4'-P-C4' energy: -73.590 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: -82.939 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: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -953.731073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.731073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.731073 (E_RNA) where: Base-Base interactions energy: -622.552 where: short stacking energy: -301.967 Base-Backbone interact. energy: -0.630 local terms energy: -330.549939 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -61.320 flat angles C4'-P-C4' energy: -69.665 flat angles P-C4'-P energy: -48.611 tors. eta vs tors. theta energy: -97.296 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: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -854.395369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.395369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.395369 (E_RNA) where: Base-Base interactions energy: -580.865 where: short stacking energy: -253.547 Base-Backbone interact. energy: -1.208 local terms energy: -272.321970 where: bonds (distance) C4'-P energy: -54.888 bonds (distance) P-C4' energy: -41.503 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -42.111 tors. eta vs tors. theta energy: -64.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -825.799723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.799723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.799723 (E_RNA) where: Base-Base interactions energy: -539.534 where: short stacking energy: -238.053 Base-Backbone interact. energy: -1.342 local terms energy: -284.923903 where: bonds (distance) C4'-P energy: -62.955 bonds (distance) P-C4' energy: -51.643 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -42.707 tors. eta vs tors. theta energy: -57.601 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: 422 Temperature: 1.200000 Total energy: -807.601368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.601368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.601368 (E_RNA) where: Base-Base interactions energy: -515.521 where: short stacking energy: -235.413 Base-Backbone interact. energy: -1.664 local terms energy: -290.417107 where: bonds (distance) C4'-P energy: -72.581 bonds (distance) P-C4' energy: -59.093 flat angles C4'-P-C4' energy: -55.956 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -60.261 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: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -499.846798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.846798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.846798 (E_RNA) where: Base-Base interactions energy: -261.990 where: short stacking energy: -154.593 Base-Backbone interact. energy: -0.852 local terms energy: -237.005055 where: bonds (distance) C4'-P energy: -54.017 bonds (distance) P-C4' energy: -54.119 flat angles C4'-P-C4' energy: -64.734 flat angles P-C4'-P energy: -31.825 tors. eta vs tors. theta energy: -32.311 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -320.080000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.080000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.080000 (E_RNA) where: Base-Base interactions energy: -126.248 where: short stacking energy: -97.403 Base-Backbone interact. energy: -0.508 local terms energy: -193.323488 where: bonds (distance) C4'-P energy: -54.666 bonds (distance) P-C4' energy: -59.152 flat angles C4'-P-C4' energy: -43.233 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -0.461 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: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -286.475751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.475751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.475751 (E_RNA) where: Base-Base interactions energy: -99.915 where: short stacking energy: -69.593 Base-Backbone interact. energy: 0.371 local terms energy: -186.931748 where: bonds (distance) C4'-P energy: -56.410 bonds (distance) P-C4' energy: -57.539 flat angles C4'-P-C4' energy: -45.178 flat angles P-C4'-P energy: -31.407 tors. eta vs tors. theta energy: 3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1131.445951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.445951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.445951 (E_RNA) where: Base-Base interactions energy: -765.370 where: short stacking energy: -335.874 Base-Backbone interact. energy: -0.493 local terms energy: -365.582744 where: bonds (distance) C4'-P energy: -72.071 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -75.622 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -98.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1067.961737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.961737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.961737 (E_RNA) where: Base-Base interactions energy: -727.210 where: short stacking energy: -308.036 Base-Backbone interact. energy: -0.411 local terms energy: -340.341064 where: bonds (distance) C4'-P energy: -67.653 bonds (distance) P-C4' energy: -66.129 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -85.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -997.209507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.209507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.209507 (E_RNA) where: Base-Base interactions energy: -657.738 where: short stacking energy: -313.613 Base-Backbone interact. energy: -3.512 local terms energy: -335.959577 where: bonds (distance) C4'-P energy: -58.859 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -78.502 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -90.062 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: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -972.543855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.543855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.543855 (E_RNA) where: Base-Base interactions energy: -642.216 where: short stacking energy: -312.917 Base-Backbone interact. energy: -1.343 local terms energy: -328.984954 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -60.252 flat angles C4'-P-C4' energy: -69.950 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: -92.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -866.656510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.656510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.656510 (E_RNA) where: Base-Base interactions energy: -563.859 where: short stacking energy: -246.902 Base-Backbone interact. energy: 2.375 local terms energy: -305.172685 where: bonds (distance) C4'-P energy: -70.893 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -46.730 tors. eta vs tors. theta energy: -57.332 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: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -862.297830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.297830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.297830 (E_RNA) where: Base-Base interactions energy: -592.131 where: short stacking energy: -265.193 Base-Backbone interact. energy: 1.443 local terms energy: -271.610090 where: bonds (distance) C4'-P energy: -53.046 bonds (distance) P-C4' energy: -68.002 flat angles C4'-P-C4' energy: -54.445 flat angles P-C4'-P energy: -34.346 tors. eta vs tors. theta energy: -61.771 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: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -787.295637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.295637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.295637 (E_RNA) where: Base-Base interactions energy: -516.568 where: short stacking energy: -226.977 Base-Backbone interact. energy: -2.677 local terms energy: -268.051099 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -58.266 flat angles C4'-P-C4' energy: -65.863 flat angles P-C4'-P energy: -26.960 tors. eta vs tors. theta energy: -51.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -474.559550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.559550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.559550 (E_RNA) where: Base-Base interactions energy: -252.127 where: short stacking energy: -142.217 Base-Backbone interact. energy: -0.882 local terms energy: -221.550152 where: bonds (distance) C4'-P energy: -55.724 bonds (distance) P-C4' energy: -48.686 flat angles C4'-P-C4' energy: -58.651 flat angles P-C4'-P energy: -32.946 tors. eta vs tors. theta energy: -25.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -328.937843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.937843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.937843 (E_RNA) where: Base-Base interactions energy: -109.438 where: short stacking energy: -101.604 Base-Backbone interact. energy: 4.453 local terms energy: -223.952531 where: bonds (distance) C4'-P energy: -62.628 bonds (distance) P-C4' energy: -74.282 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -285.946489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.946489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.946489 (E_RNA) where: Base-Base interactions energy: -92.053 where: short stacking energy: -81.181 Base-Backbone interact. energy: -0.774 local terms energy: -193.119761 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -63.440 flat angles C4'-P-C4' energy: -50.513 flat angles P-C4'-P energy: -30.081 tors. eta vs tors. theta energy: 11.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1108.334150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.334150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.334150 (E_RNA) where: Base-Base interactions energy: -744.193 where: short stacking energy: -353.918 Base-Backbone interact. energy: -0.530 local terms energy: -363.611439 where: bonds (distance) C4'-P energy: -68.654 bonds (distance) P-C4' energy: -71.482 flat angles C4'-P-C4' energy: -77.695 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -96.881 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1112.822681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.822681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.822681 (E_RNA) where: Base-Base interactions energy: -754.575 where: short stacking energy: -330.555 Base-Backbone interact. energy: -1.705 local terms energy: -356.543564 where: bonds (distance) C4'-P energy: -67.939 bonds (distance) P-C4' energy: -67.462 flat angles C4'-P-C4' energy: -71.629 flat angles P-C4'-P energy: -53.084 tors. eta vs tors. theta energy: -96.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1032.259501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.259501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.259501 (E_RNA) where: Base-Base interactions energy: -685.790 where: short stacking energy: -311.553 Base-Backbone interact. energy: 0.396 local terms energy: -346.865242 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -59.353 flat angles C4'-P-C4' energy: -78.821 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -88.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -966.520410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.520410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.520410 (E_RNA) where: Base-Base interactions energy: -631.856 where: short stacking energy: -297.531 Base-Backbone interact. energy: -2.256 local terms energy: -332.407812 where: bonds (distance) C4'-P energy: -51.373 bonds (distance) P-C4' energy: -65.070 flat angles C4'-P-C4' energy: -71.147 flat angles P-C4'-P energy: -56.729 tors. eta vs tors. theta energy: -88.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -849.165705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.165705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.165705 (E_RNA) where: Base-Base interactions energy: -536.755 where: short stacking energy: -237.225 Base-Backbone interact. energy: -0.592 local terms energy: -311.818294 where: bonds (distance) C4'-P energy: -56.231 bonds (distance) P-C4' energy: -66.475 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -51.761 tors. eta vs tors. theta energy: -66.657 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: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -841.458279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.458279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.458279 (E_RNA) where: Base-Base interactions energy: -576.714 where: short stacking energy: -250.937 Base-Backbone interact. energy: 0.030 local terms energy: -264.774987 where: bonds (distance) C4'-P energy: -63.089 bonds (distance) P-C4' energy: -37.695 flat angles C4'-P-C4' energy: -66.380 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -63.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -778.513545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.513545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.513545 (E_RNA) where: Base-Base interactions energy: -509.804 where: short stacking energy: -206.403 Base-Backbone interact. energy: 5.693 local terms energy: -274.402366 where: bonds (distance) C4'-P energy: -62.509 bonds (distance) P-C4' energy: -70.464 flat angles C4'-P-C4' energy: -56.609 flat angles P-C4'-P energy: -33.417 tors. eta vs tors. theta energy: -51.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -481.365101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.365101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.365101 (E_RNA) where: Base-Base interactions energy: -268.232 where: short stacking energy: -146.252 Base-Backbone interact. energy: -1.865 local terms energy: -211.268208 where: bonds (distance) C4'-P energy: -66.734 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -49.529 flat angles P-C4'-P energy: -25.507 tors. eta vs tors. theta energy: -13.487 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: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -333.110329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.110329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.110329 (E_RNA) where: Base-Base interactions energy: -152.716 where: short stacking energy: -112.140 Base-Backbone interact. energy: -0.819 local terms energy: -179.575048 where: bonds (distance) C4'-P energy: -44.406 bonds (distance) P-C4' energy: -54.537 flat angles C4'-P-C4' energy: -55.558 flat angles P-C4'-P energy: -25.327 tors. eta vs tors. theta energy: 0.253 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: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -286.752314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.752314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.752314 (E_RNA) where: Base-Base interactions energy: -115.832 where: short stacking energy: -100.067 Base-Backbone interact. energy: -0.254 local terms energy: -170.666037 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -54.274 flat angles P-C4'-P energy: -22.628 tors. eta vs tors. theta energy: 13.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1109.270524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.270524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.270524 (E_RNA) where: Base-Base interactions energy: -728.926 where: short stacking energy: -343.847 Base-Backbone interact. energy: 0.790 local terms energy: -381.134393 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -74.745 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -105.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1088.270058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.270058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.270058 (E_RNA) where: Base-Base interactions energy: -741.641 where: short stacking energy: -325.103 Base-Backbone interact. energy: -0.949 local terms energy: -345.679822 where: bonds (distance) C4'-P energy: -65.813 bonds (distance) P-C4' energy: -56.853 flat angles C4'-P-C4' energy: -77.407 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -86.434 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: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -998.652533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.652533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.652533 (E_RNA) where: Base-Base interactions energy: -674.151 where: short stacking energy: -298.923 Base-Backbone interact. energy: -0.613 local terms energy: -323.888510 where: bonds (distance) C4'-P energy: -66.684 bonds (distance) P-C4' energy: -53.601 flat angles C4'-P-C4' energy: -68.391 flat angles P-C4'-P energy: -45.022 tors. eta vs tors. theta energy: -90.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -947.823817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.823817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.823817 (E_RNA) where: Base-Base interactions energy: -609.641 where: short stacking energy: -289.198 Base-Backbone interact. energy: 0.227 local terms energy: -338.409859 where: bonds (distance) C4'-P energy: -71.831 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -73.764 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -84.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -868.658202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.658202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.658202 (E_RNA) where: Base-Base interactions energy: -576.548 where: short stacking energy: -257.272 Base-Backbone interact. energy: 3.082 local terms energy: -295.192437 where: bonds (distance) C4'-P energy: -59.016 bonds (distance) P-C4' energy: -63.144 flat angles C4'-P-C4' energy: -68.765 flat angles P-C4'-P energy: -42.989 tors. eta vs tors. theta energy: -61.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -817.635392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.635392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.635392 (E_RNA) where: Base-Base interactions energy: -525.189 where: short stacking energy: -250.424 Base-Backbone interact. energy: 3.050 local terms energy: -295.496435 where: bonds (distance) C4'-P energy: -49.962 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -69.202 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: -61.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -753.508659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.508659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.508659 (E_RNA) where: Base-Base interactions energy: -485.281 where: short stacking energy: -218.311 Base-Backbone interact. energy: -0.736 local terms energy: -267.492475 where: bonds (distance) C4'-P energy: -49.755 bonds (distance) P-C4' energy: -59.623 flat angles C4'-P-C4' energy: -67.405 flat angles P-C4'-P energy: -37.659 tors. eta vs tors. theta energy: -53.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -490.026989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.026989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.026989 (E_RNA) where: Base-Base interactions energy: -275.579 where: short stacking energy: -147.645 Base-Backbone interact. energy: -0.588 local terms energy: -213.859631 where: bonds (distance) C4'-P energy: -47.335 bonds (distance) P-C4' energy: -57.810 flat angles C4'-P-C4' energy: -55.105 flat angles P-C4'-P energy: -33.426 tors. eta vs tors. theta energy: -20.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -332.712194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.712194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.712194 (E_RNA) where: Base-Base interactions energy: -149.162 where: short stacking energy: -113.160 Base-Backbone interact. energy: 1.061 local terms energy: -184.611884 where: bonds (distance) C4'-P energy: -59.897 bonds (distance) P-C4' energy: -60.740 flat angles C4'-P-C4' energy: -39.045 flat angles P-C4'-P energy: -18.516 tors. eta vs tors. theta energy: -6.414 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: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -347.284340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.284340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.284340 (E_RNA) where: Base-Base interactions energy: -145.981 where: short stacking energy: -108.028 Base-Backbone interact. energy: -0.217 local terms energy: -201.087079 where: bonds (distance) C4'-P energy: -49.896 bonds (distance) P-C4' energy: -64.058 flat angles C4'-P-C4' energy: -51.328 flat angles P-C4'-P energy: -31.755 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1122.668551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.668551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.668551 (E_RNA) where: Base-Base interactions energy: -779.652 where: short stacking energy: -313.079 Base-Backbone interact. energy: 0.212 local terms energy: -343.229380 where: bonds (distance) C4'-P energy: -67.660 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -74.330 flat angles P-C4'-P energy: -44.059 tors. eta vs tors. theta energy: -91.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1090.842576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.842576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.842576 (E_RNA) where: Base-Base interactions energy: -729.049 where: short stacking energy: -328.403 Base-Backbone interact. energy: -1.957 local terms energy: -359.836655 where: bonds (distance) C4'-P energy: -67.889 bonds (distance) P-C4' energy: -69.584 flat angles C4'-P-C4' energy: -75.710 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -99.156 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: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -978.662207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.662207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.662207 (E_RNA) where: Base-Base interactions energy: -637.525 where: short stacking energy: -336.904 Base-Backbone interact. energy: -0.572 local terms energy: -340.564733 where: bonds (distance) C4'-P energy: -58.594 bonds (distance) P-C4' energy: -72.030 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -41.267 tors. eta vs tors. theta energy: -96.010 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: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -977.947381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.947381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.947381 (E_RNA) where: Base-Base interactions energy: -645.325 where: short stacking energy: -302.485 Base-Backbone interact. energy: 0.602 local terms energy: -333.224213 where: bonds (distance) C4'-P energy: -59.429 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -86.033 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: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -872.039493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.039493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.039493 (E_RNA) where: Base-Base interactions energy: -564.688 where: short stacking energy: -265.594 Base-Backbone interact. energy: -2.387 local terms energy: -304.964592 where: bonds (distance) C4'-P energy: -61.164 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -68.877 flat angles P-C4'-P energy: -44.689 tors. eta vs tors. theta energy: -70.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -905.641773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.641773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.641773 (E_RNA) where: Base-Base interactions energy: -606.780 where: short stacking energy: -252.416 Base-Backbone interact. energy: 0.401 local terms energy: -299.262374 where: bonds (distance) C4'-P energy: -60.621 bonds (distance) P-C4' energy: -63.236 flat angles C4'-P-C4' energy: -67.138 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -62.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -764.368327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.368327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.368327 (E_RNA) where: Base-Base interactions energy: -478.256 where: short stacking energy: -232.284 Base-Backbone interact. energy: -3.203 local terms energy: -282.909709 where: bonds (distance) C4'-P energy: -50.890 bonds (distance) P-C4' energy: -69.192 flat angles C4'-P-C4' energy: -58.141 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: -64.235 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: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -575.512544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.512544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.512544 (E_RNA) where: Base-Base interactions energy: -340.163 where: short stacking energy: -183.963 Base-Backbone interact. energy: -1.679 local terms energy: -233.670434 where: bonds (distance) C4'-P energy: -58.886 bonds (distance) P-C4' energy: -52.279 flat angles C4'-P-C4' energy: -49.363 flat angles P-C4'-P energy: -28.995 tors. eta vs tors. theta energy: -44.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -297.161242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.161242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.161242 (E_RNA) where: Base-Base interactions energy: -103.934 where: short stacking energy: -84.307 Base-Backbone interact. energy: 0.737 local terms energy: -193.964895 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -59.173 flat angles C4'-P-C4' energy: -47.140 flat angles P-C4'-P energy: -35.699 tors. eta vs tors. theta energy: 3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -321.747421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.747421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.747421 (E_RNA) where: Base-Base interactions energy: -120.236 where: short stacking energy: -85.771 Base-Backbone interact. energy: -0.945 local terms energy: -200.565579 where: bonds (distance) C4'-P energy: -50.359 bonds (distance) P-C4' energy: -68.231 flat angles C4'-P-C4' energy: -55.685 flat angles P-C4'-P energy: -32.969 tors. eta vs tors. theta energy: 6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1131.384828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.384828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.384828 (E_RNA) where: Base-Base interactions energy: -775.621 where: short stacking energy: -319.993 Base-Backbone interact. energy: -2.691 local terms energy: -353.072409 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -75.213 flat angles C4'-P-C4' energy: -71.301 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -86.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1097.864750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.864750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.864750 (E_RNA) where: Base-Base interactions energy: -747.545 where: short stacking energy: -350.683 Base-Backbone interact. energy: -2.287 local terms energy: -348.032324 where: bonds (distance) C4'-P energy: -61.100 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -76.399 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -101.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -982.514734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.514734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.514734 (E_RNA) where: Base-Base interactions energy: -629.811 where: short stacking energy: -291.652 Base-Backbone interact. energy: 1.507 local terms energy: -354.210842 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -70.236 flat angles C4'-P-C4' energy: -78.233 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -92.094 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: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -979.471496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.471496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.471496 (E_RNA) where: Base-Base interactions energy: -650.788 where: short stacking energy: -309.170 Base-Backbone interact. energy: -0.977 local terms energy: -327.706674 where: bonds (distance) C4'-P energy: -66.351 bonds (distance) P-C4' energy: -53.574 flat angles C4'-P-C4' energy: -71.579 flat angles P-C4'-P energy: -50.405 tors. eta vs tors. theta energy: -85.798 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: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -889.315394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.315394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.315394 (E_RNA) where: Base-Base interactions energy: -572.069 where: short stacking energy: -258.036 Base-Backbone interact. energy: -0.217 local terms energy: -317.029204 where: bonds (distance) C4'-P energy: -69.454 bonds (distance) P-C4' energy: -75.006 flat angles C4'-P-C4' energy: -65.756 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: -61.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -860.486496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.486496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.486496 (E_RNA) where: Base-Base interactions energy: -562.320 where: short stacking energy: -232.452 Base-Backbone interact. energy: -0.122 local terms energy: -298.044334 where: bonds (distance) C4'-P energy: -61.488 bonds (distance) P-C4' energy: -63.783 flat angles C4'-P-C4' energy: -61.498 flat angles P-C4'-P energy: -54.612 tors. eta vs tors. theta energy: -56.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -739.688149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.688149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.688149 (E_RNA) where: Base-Base interactions energy: -455.833 where: short stacking energy: -210.269 Base-Backbone interact. energy: 0.162 local terms energy: -284.017309 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -56.877 flat angles C4'-P-C4' energy: -67.865 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -52.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -572.127717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.127717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.127717 (E_RNA) where: Base-Base interactions energy: -315.621 where: short stacking energy: -174.332 Base-Backbone interact. energy: -1.911 local terms energy: -254.595785 where: bonds (distance) C4'-P energy: -50.183 bonds (distance) P-C4' energy: -67.564 flat angles C4'-P-C4' energy: -60.441 flat angles P-C4'-P energy: -42.548 tors. eta vs tors. theta energy: -33.860 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: 9, replica: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -335.719983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.719983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.719983 (E_RNA) where: Base-Base interactions energy: -141.873 where: short stacking energy: -95.520 Base-Backbone interact. energy: -1.942 local terms energy: -191.904872 where: bonds (distance) C4'-P energy: -50.444 bonds (distance) P-C4' energy: -64.103 flat angles C4'-P-C4' energy: -54.326 flat angles P-C4'-P energy: -28.358 tors. eta vs tors. theta energy: 5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -276.469612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.469612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.469612 (E_RNA) where: Base-Base interactions energy: -108.488 where: short stacking energy: -74.155 Base-Backbone interact. energy: 1.232 local terms energy: -169.213378 where: bonds (distance) C4'-P energy: -40.617 bonds (distance) P-C4' energy: -64.063 flat angles C4'-P-C4' energy: -50.926 flat angles P-C4'-P energy: -41.032 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: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1114.083919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.083919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.083919 (E_RNA) where: Base-Base interactions energy: -742.686 where: short stacking energy: -318.416 Base-Backbone interact. energy: -2.473 local terms energy: -368.924967 where: bonds (distance) C4'-P energy: -72.507 bonds (distance) P-C4' energy: -67.173 flat angles C4'-P-C4' energy: -77.920 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -101.139 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: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1086.654666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.654666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.654666 (E_RNA) where: Base-Base interactions energy: -729.108 where: short stacking energy: -346.418 Base-Backbone interact. energy: -1.977 local terms energy: -355.570298 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -78.240 flat angles P-C4'-P energy: -53.693 tors. eta vs tors. theta energy: -98.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1007.151708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.151708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.151708 (E_RNA) where: Base-Base interactions energy: -671.970 where: short stacking energy: -315.581 Base-Backbone interact. energy: -1.654 local terms energy: -333.528459 where: bonds (distance) C4'-P energy: -74.278 bonds (distance) P-C4' energy: -63.752 flat angles C4'-P-C4' energy: -62.777 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -87.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -960.352505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.352505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.352505 (E_RNA) where: Base-Base interactions energy: -642.670 where: short stacking energy: -285.087 Base-Backbone interact. energy: -1.589 local terms energy: -316.094214 where: bonds (distance) C4'-P energy: -60.844 bonds (distance) P-C4' energy: -72.467 flat angles C4'-P-C4' energy: -67.717 flat angles P-C4'-P energy: -35.926 tors. eta vs tors. theta energy: -79.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -890.325993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.325993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.325993 (E_RNA) where: Base-Base interactions energy: -589.347 where: short stacking energy: -255.216 Base-Backbone interact. energy: 5.519 local terms energy: -306.498132 where: bonds (distance) C4'-P energy: -54.724 bonds (distance) P-C4' energy: -71.781 flat angles C4'-P-C4' energy: -71.940 flat angles P-C4'-P energy: -44.733 tors. eta vs tors. theta energy: -63.320 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: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -831.695046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.695046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.695046 (E_RNA) where: Base-Base interactions energy: -566.316 where: short stacking energy: -251.948 Base-Backbone interact. energy: -1.956 local terms energy: -263.423124 where: bonds (distance) C4'-P energy: -53.503 bonds (distance) P-C4' energy: -37.735 flat angles C4'-P-C4' energy: -71.157 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -61.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -741.713423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.713423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.713423 (E_RNA) where: Base-Base interactions energy: -476.607 where: short stacking energy: -207.510 Base-Backbone interact. energy: -0.762 local terms energy: -264.344266 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -64.759 flat angles C4'-P-C4' energy: -73.399 flat angles P-C4'-P energy: -25.411 tors. eta vs tors. theta energy: -41.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -577.416157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.416157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.416157 (E_RNA) where: Base-Base interactions energy: -331.407 where: short stacking energy: -172.634 Base-Backbone interact. energy: -0.230 local terms energy: -245.779949 where: bonds (distance) C4'-P energy: -60.450 bonds (distance) P-C4' energy: -61.025 flat angles C4'-P-C4' energy: -46.207 flat angles P-C4'-P energy: -41.504 tors. eta vs tors. theta energy: -36.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -334.185232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.185232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.185232 (E_RNA) where: Base-Base interactions energy: -124.336 where: short stacking energy: -78.662 Base-Backbone interact. energy: -2.053 local terms energy: -207.795786 where: bonds (distance) C4'-P energy: -63.876 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -51.922 flat angles P-C4'-P energy: -33.346 tors. eta vs tors. theta energy: 3.086 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: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -279.529862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.529862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.529862 (E_RNA) where: Base-Base interactions energy: -112.722 where: short stacking energy: -72.045 Base-Backbone interact. energy: 0.327 local terms energy: -167.135298 where: bonds (distance) C4'-P energy: -54.722 bonds (distance) P-C4' energy: -53.260 flat angles C4'-P-C4' energy: -50.371 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: 30.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1144.380776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.380776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.380776 (E_RNA) where: Base-Base interactions energy: -769.805 where: short stacking energy: -326.655 Base-Backbone interact. energy: -1.649 local terms energy: -372.926865 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -70.574 flat angles C4'-P-C4' energy: -79.315 flat angles P-C4'-P energy: -60.107 tors. eta vs tors. theta energy: -92.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1033.610605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.610605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.610605 (E_RNA) where: Base-Base interactions energy: -681.418 where: short stacking energy: -344.135 Base-Backbone interact. energy: 2.052 local terms energy: -354.243772 where: bonds (distance) C4'-P energy: -66.516 bonds (distance) P-C4' energy: -57.640 flat angles C4'-P-C4' energy: -81.553 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -106.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1044.157804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.157804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.157804 (E_RNA) where: Base-Base interactions energy: -703.758 where: short stacking energy: -313.962 Base-Backbone interact. energy: -0.640 local terms energy: -339.760048 where: bonds (distance) C4'-P energy: -59.521 bonds (distance) P-C4' energy: -68.827 flat angles C4'-P-C4' energy: -76.901 flat angles P-C4'-P energy: -49.436 tors. eta vs tors. theta energy: -85.075 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: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -992.616160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.616160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.616160 (E_RNA) where: Base-Base interactions energy: -673.175 where: short stacking energy: -305.814 Base-Backbone interact. energy: -0.283 local terms energy: -319.157338 where: bonds (distance) C4'-P energy: -61.273 bonds (distance) P-C4' energy: -53.728 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -42.337 tors. eta vs tors. theta energy: -91.164 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: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -878.924848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.924848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.924848 (E_RNA) where: Base-Base interactions energy: -580.726 where: short stacking energy: -239.011 Base-Backbone interact. energy: 0.515 local terms energy: -298.714386 where: bonds (distance) C4'-P energy: -57.579 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -60.145 flat angles P-C4'-P energy: -42.711 tors. eta vs tors. theta energy: -66.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -838.100853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.100853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.100853 (E_RNA) where: Base-Base interactions energy: -564.171 where: short stacking energy: -244.150 Base-Backbone interact. energy: -2.412 local terms energy: -271.518281 where: bonds (distance) C4'-P energy: -45.872 bonds (distance) P-C4' energy: -62.902 flat angles C4'-P-C4' energy: -64.826 flat angles P-C4'-P energy: -31.732 tors. eta vs tors. theta energy: -66.187 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: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -788.661202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.661202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.661202 (E_RNA) where: Base-Base interactions energy: -500.898 where: short stacking energy: -220.345 Base-Backbone interact. energy: -1.100 local terms energy: -286.663228 where: bonds (distance) C4'-P energy: -50.977 bonds (distance) P-C4' energy: -58.585 flat angles C4'-P-C4' energy: -70.976 flat angles P-C4'-P energy: -46.426 tors. eta vs tors. theta energy: -59.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -516.288897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.288897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.288897 (E_RNA) where: Base-Base interactions energy: -282.286 where: short stacking energy: -149.039 Base-Backbone interact. energy: 1.942 local terms energy: -235.945553 where: bonds (distance) C4'-P energy: -59.041 bonds (distance) P-C4' energy: -60.058 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -40.245 tors. eta vs tors. theta energy: -14.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -313.365714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.365714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.365714 (E_RNA) where: Base-Base interactions energy: -129.144 where: short stacking energy: -112.607 Base-Backbone interact. energy: -1.336 local terms energy: -182.885391 where: bonds (distance) C4'-P energy: -44.478 bonds (distance) P-C4' energy: -61.855 flat angles C4'-P-C4' energy: -51.166 flat angles P-C4'-P energy: -24.448 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -306.966003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.966003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.966003 (E_RNA) where: Base-Base interactions energy: -131.439 where: short stacking energy: -92.108 Base-Backbone interact. energy: -3.020 local terms energy: -172.507301 where: bonds (distance) C4'-P energy: -57.605 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -43.826 flat angles P-C4'-P energy: -19.219 tors. eta vs tors. theta energy: 1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1119.815196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.815196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.815196 (E_RNA) where: Base-Base interactions energy: -765.311 where: short stacking energy: -311.892 Base-Backbone interact. energy: -0.157 local terms energy: -354.347977 where: bonds (distance) C4'-P energy: -66.648 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -90.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1013.806382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.806382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.806382 (E_RNA) where: Base-Base interactions energy: -670.598 where: short stacking energy: -315.173 Base-Backbone interact. energy: -0.516 local terms energy: -342.692317 where: bonds (distance) C4'-P energy: -65.391 bonds (distance) P-C4' energy: -70.811 flat angles C4'-P-C4' energy: -76.044 flat angles P-C4'-P energy: -42.656 tors. eta vs tors. theta energy: -87.791 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: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1038.082240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.082240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.082240 (E_RNA) where: Base-Base interactions energy: -705.807 where: short stacking energy: -297.817 Base-Backbone interact. energy: -0.354 local terms energy: -331.920825 where: bonds (distance) C4'-P energy: -49.814 bonds (distance) P-C4' energy: -67.265 flat angles C4'-P-C4' energy: -79.873 flat angles P-C4'-P energy: -49.111 tors. eta vs tors. theta energy: -85.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -964.814839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.814839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.814839 (E_RNA) where: Base-Base interactions energy: -634.779 where: short stacking energy: -284.226 Base-Backbone interact. energy: -0.581 local terms energy: -329.455153 where: bonds (distance) C4'-P energy: -68.376 bonds (distance) P-C4' energy: -65.389 flat angles C4'-P-C4' energy: -69.281 flat angles P-C4'-P energy: -49.177 tors. eta vs tors. theta energy: -77.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -885.561392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.561392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.561392 (E_RNA) where: Base-Base interactions energy: -580.599 where: short stacking energy: -272.167 Base-Backbone interact. energy: 0.445 local terms energy: -305.407449 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -64.368 flat angles C4'-P-C4' energy: -70.381 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -71.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -861.689239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.689239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.689239 (E_RNA) where: Base-Base interactions energy: -566.408 where: short stacking energy: -257.402 Base-Backbone interact. energy: -1.182 local terms energy: -294.099479 where: bonds (distance) C4'-P energy: -46.851 bonds (distance) P-C4' energy: -69.777 flat angles C4'-P-C4' energy: -68.040 flat angles P-C4'-P energy: -38.330 tors. eta vs tors. theta energy: -71.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -714.119737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.119737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.119737 (E_RNA) where: Base-Base interactions energy: -449.945 where: short stacking energy: -224.420 Base-Backbone interact. energy: -0.629 local terms energy: -263.545804 where: bonds (distance) C4'-P energy: -60.617 bonds (distance) P-C4' energy: -53.497 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: -53.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -505.892696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.892696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.892696 (E_RNA) where: Base-Base interactions energy: -284.634 where: short stacking energy: -131.084 Base-Backbone interact. energy: -0.296 local terms energy: -220.963351 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -66.757 flat angles C4'-P-C4' energy: -59.070 flat angles P-C4'-P energy: -28.070 tors. eta vs tors. theta energy: -14.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -313.522400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.522400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.522400 (E_RNA) where: Base-Base interactions energy: -124.963 where: short stacking energy: -100.531 Base-Backbone interact. energy: 0.156 local terms energy: -188.715389 where: bonds (distance) C4'-P energy: -50.014 bonds (distance) P-C4' energy: -62.608 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -23.846 tors. eta vs tors. theta energy: 8.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -283.704600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.704600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.704600 (E_RNA) where: Base-Base interactions energy: -104.394 where: short stacking energy: -76.728 Base-Backbone interact. energy: 2.800 local terms energy: -182.111187 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -46.390 flat angles C4'-P-C4' energy: -45.497 flat angles P-C4'-P energy: -38.561 tors. eta vs tors. theta energy: 5.091 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: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1135.461549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.461549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.461549 (E_RNA) where: Base-Base interactions energy: -754.727 where: short stacking energy: -329.772 Base-Backbone interact. energy: 0.052 local terms energy: -380.786061 where: bonds (distance) C4'-P energy: -73.459 bonds (distance) P-C4' energy: -77.049 flat angles C4'-P-C4' energy: -78.971 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -101.612 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: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1076.988926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.988926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.988926 (E_RNA) where: Base-Base interactions energy: -709.868 where: short stacking energy: -321.496 Base-Backbone interact. energy: -1.499 local terms energy: -365.621508 where: bonds (distance) C4'-P energy: -76.527 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -73.711 flat angles P-C4'-P energy: -55.072 tors. eta vs tors. theta energy: -92.685 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: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -997.207166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.207166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.207166 (E_RNA) where: Base-Base interactions energy: -656.811 where: short stacking energy: -320.094 Base-Backbone interact. energy: -0.523 local terms energy: -339.873404 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -64.621 flat angles C4'-P-C4' energy: -75.784 flat angles P-C4'-P energy: -49.940 tors. eta vs tors. theta energy: -88.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -966.137156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.137156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.137156 (E_RNA) where: Base-Base interactions energy: -645.487 where: short stacking energy: -310.854 Base-Backbone interact. energy: -0.264 local terms energy: -320.386262 where: bonds (distance) C4'-P energy: -60.662 bonds (distance) P-C4' energy: -53.496 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -51.736 tors. eta vs tors. theta energy: -86.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -913.754744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.754744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.754744 (E_RNA) where: Base-Base interactions energy: -603.975 where: short stacking energy: -276.527 Base-Backbone interact. energy: 4.924 local terms energy: -314.703084 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -73.799 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -44.206 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: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -862.074038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.074038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.074038 (E_RNA) where: Base-Base interactions energy: -570.181 where: short stacking energy: -247.252 Base-Backbone interact. energy: 1.553 local terms energy: -293.446087 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -66.461 flat angles C4'-P-C4' energy: -73.625 flat angles P-C4'-P energy: -40.481 tors. eta vs tors. theta energy: -56.367 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: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -697.370044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.370044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.370044 (E_RNA) where: Base-Base interactions energy: -433.579 where: short stacking energy: -195.529 Base-Backbone interact. energy: -1.592 local terms energy: -262.198953 where: bonds (distance) C4'-P energy: -58.910 bonds (distance) P-C4' energy: -64.920 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -45.541 tors. eta vs tors. theta energy: -34.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -481.827592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.827592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.827592 (E_RNA) where: Base-Base interactions energy: -250.207 where: short stacking energy: -130.158 Base-Backbone interact. energy: -0.056 local terms energy: -231.564828 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -52.937 flat angles C4'-P-C4' energy: -52.723 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -293.460346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.460346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.460346 (E_RNA) where: Base-Base interactions energy: -86.035 where: short stacking energy: -85.256 Base-Backbone interact. energy: 5.405 local terms energy: -212.831014 where: bonds (distance) C4'-P energy: -62.919 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -51.185 flat angles P-C4'-P energy: -43.777 tors. eta vs tors. theta energy: 2.297 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: 10, replica: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -286.000356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.000356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.000356 (E_RNA) where: Base-Base interactions energy: -122.102 where: short stacking energy: -88.017 Base-Backbone interact. energy: 2.789 local terms energy: -166.687429 where: bonds (distance) C4'-P energy: -45.839 bonds (distance) P-C4' energy: -47.053 flat angles C4'-P-C4' energy: -53.331 flat angles P-C4'-P energy: -20.850 tors. eta vs tors. theta energy: 0.385 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: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1125.992355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.992355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.992355 (E_RNA) where: Base-Base interactions energy: -768.423 where: short stacking energy: -321.247 Base-Backbone interact. energy: -1.455 local terms energy: -356.113803 where: bonds (distance) C4'-P energy: -69.628 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -47.108 tors. eta vs tors. theta energy: -94.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1086.713164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.713164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.713164 (E_RNA) where: Base-Base interactions energy: -722.324 where: short stacking energy: -331.242 Base-Backbone interact. energy: -1.018 local terms energy: -363.371741 where: bonds (distance) C4'-P energy: -67.752 bonds (distance) P-C4' energy: -71.035 flat angles C4'-P-C4' energy: -72.384 flat angles P-C4'-P energy: -54.966 tors. eta vs tors. theta energy: -97.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -991.941012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.941012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.941012 (E_RNA) where: Base-Base interactions energy: -647.884 where: short stacking energy: -304.469 Base-Backbone interact. energy: 1.724 local terms energy: -345.780644 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -67.925 flat angles C4'-P-C4' energy: -75.837 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -86.215 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: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -961.578983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.578983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.578983 (E_RNA) where: Base-Base interactions energy: -629.830 where: short stacking energy: -297.877 Base-Backbone interact. energy: -0.607 local terms energy: -331.142010 where: bonds (distance) C4'-P energy: -62.423 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -82.207 flat angles P-C4'-P energy: -36.509 tors. eta vs tors. theta energy: -88.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -896.918225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.918225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.918225 (E_RNA) where: Base-Base interactions energy: -606.023 where: short stacking energy: -289.104 Base-Backbone interact. energy: -0.671 local terms energy: -290.224400 where: bonds (distance) C4'-P energy: -49.254 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -68.030 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: -77.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -867.950548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.950548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.950548 (E_RNA) where: Base-Base interactions energy: -567.189 where: short stacking energy: -246.683 Base-Backbone interact. energy: -0.126 local terms energy: -300.634862 where: bonds (distance) C4'-P energy: -60.647 bonds (distance) P-C4' energy: -72.745 flat angles C4'-P-C4' energy: -68.444 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -56.867 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: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -716.422022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.422022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.422022 (E_RNA) where: Base-Base interactions energy: -444.929 where: short stacking energy: -193.092 Base-Backbone interact. energy: -0.190 local terms energy: -271.303053 where: bonds (distance) C4'-P energy: -68.268 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -68.835 flat angles P-C4'-P energy: -36.358 tors. eta vs tors. theta energy: -43.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -513.898651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.898651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.898651 (E_RNA) where: Base-Base interactions energy: -285.578 where: short stacking energy: -148.909 Base-Backbone interact. energy: 0.427 local terms energy: -228.748070 where: bonds (distance) C4'-P energy: -64.725 bonds (distance) P-C4' energy: -49.918 flat angles C4'-P-C4' energy: -60.081 flat angles P-C4'-P energy: -37.612 tors. eta vs tors. theta energy: -16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -301.826139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.826139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.826139 (E_RNA) where: Base-Base interactions energy: -117.482 where: short stacking energy: -84.205 Base-Backbone interact. energy: 4.153 local terms energy: -188.497406 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -67.021 flat angles C4'-P-C4' energy: -37.921 flat angles P-C4'-P energy: -23.634 tors. eta vs tors. theta energy: 1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -281.036214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.036214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.036214 (E_RNA) where: Base-Base interactions energy: -106.860 where: short stacking energy: -97.183 Base-Backbone interact. energy: -0.096 local terms energy: -174.080308 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -61.351 flat angles C4'-P-C4' energy: -59.087 flat angles P-C4'-P energy: -15.409 tors. eta vs tors. theta energy: 19.712 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: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1133.871440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.871440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.871440 (E_RNA) where: Base-Base interactions energy: -783.320 where: short stacking energy: -330.940 Base-Backbone interact. energy: -3.461 local terms energy: -347.090621 where: bonds (distance) C4'-P energy: -70.820 bonds (distance) P-C4' energy: -68.368 flat angles C4'-P-C4' energy: -66.237 flat angles P-C4'-P energy: -48.930 tors. eta vs tors. theta energy: -92.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1080.010126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.010126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.010126 (E_RNA) where: Base-Base interactions energy: -706.151 where: short stacking energy: -318.266 Base-Backbone interact. energy: 2.662 local terms energy: -376.521002 where: bonds (distance) C4'-P energy: -74.136 bonds (distance) P-C4' energy: -67.967 flat angles C4'-P-C4' energy: -77.484 flat angles P-C4'-P energy: -58.039 tors. eta vs tors. theta energy: -98.895 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: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -990.165782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.165782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.165782 (E_RNA) where: Base-Base interactions energy: -642.921 where: short stacking energy: -308.919 Base-Backbone interact. energy: -1.587 local terms energy: -345.658061 where: bonds (distance) C4'-P energy: -68.055 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -73.105 flat angles P-C4'-P energy: -49.999 tors. eta vs tors. theta energy: -92.190 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: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -979.934154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.934154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.934154 (E_RNA) where: Base-Base interactions energy: -640.844 where: short stacking energy: -310.176 Base-Backbone interact. energy: -0.983 local terms energy: -338.107946 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -80.287 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: -89.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -874.957954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.957954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.957954 (E_RNA) where: Base-Base interactions energy: -569.757 where: short stacking energy: -262.130 Base-Backbone interact. energy: -0.948 local terms energy: -304.252581 where: bonds (distance) C4'-P energy: -68.519 bonds (distance) P-C4' energy: -55.412 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -73.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -878.786659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.786659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.786659 (E_RNA) where: Base-Base interactions energy: -574.401 where: short stacking energy: -259.172 Base-Backbone interact. energy: -0.179 local terms energy: -304.206657 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -64.134 flat angles C4'-P-C4' energy: -60.346 flat angles P-C4'-P energy: -47.875 tors. eta vs tors. theta energy: -70.283 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: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -721.751026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.751026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.751026 (E_RNA) where: Base-Base interactions energy: -463.190 where: short stacking energy: -205.554 Base-Backbone interact. energy: -0.957 local terms energy: -257.604610 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -58.781 flat angles C4'-P-C4' energy: -57.524 flat angles P-C4'-P energy: -41.072 tors. eta vs tors. theta energy: -38.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -550.219081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.219081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.219081 (E_RNA) where: Base-Base interactions energy: -311.181 where: short stacking energy: -176.742 Base-Backbone interact. energy: -1.001 local terms energy: -238.037632 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -64.855 flat angles C4'-P-C4' energy: -60.355 flat angles P-C4'-P energy: -24.947 tors. eta vs tors. theta energy: -28.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -341.904996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.904996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.904996 (E_RNA) where: Base-Base interactions energy: -144.918 where: short stacking energy: -125.821 Base-Backbone interact. energy: 1.917 local terms energy: -198.904239 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -59.253 flat angles C4'-P-C4' energy: -36.847 flat angles P-C4'-P energy: -29.549 tors. eta vs tors. theta energy: -12.176 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: 10, replica: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -299.440687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.440687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.440687 (E_RNA) where: Base-Base interactions energy: -98.184 where: short stacking energy: -77.067 Base-Backbone interact. energy: 4.154 local terms energy: -205.411055 where: bonds (distance) C4'-P energy: -48.722 bonds (distance) P-C4' energy: -72.297 flat angles C4'-P-C4' energy: -59.517 flat angles P-C4'-P energy: -31.162 tors. eta vs tors. theta energy: 6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1151.212640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.212640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.212640 (E_RNA) where: Base-Base interactions energy: -780.353 where: short stacking energy: -335.414 Base-Backbone interact. energy: -1.693 local terms energy: -369.166186 where: bonds (distance) C4'-P energy: -73.141 bonds (distance) P-C4' energy: -72.479 flat angles C4'-P-C4' energy: -83.431 flat angles P-C4'-P energy: -50.217 tors. eta vs tors. theta energy: -89.898 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: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1089.736124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.736124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.736124 (E_RNA) where: Base-Base interactions energy: -757.346 where: short stacking energy: -332.609 Base-Backbone interact. energy: -0.877 local terms energy: -331.513071 where: bonds (distance) C4'-P energy: -59.610 bonds (distance) P-C4' energy: -57.134 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -52.502 tors. eta vs tors. theta energy: -96.758 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: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -988.301582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.301582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.301582 (E_RNA) where: Base-Base interactions energy: -656.920 where: short stacking energy: -300.951 Base-Backbone interact. energy: -2.373 local terms energy: -329.007885 where: bonds (distance) C4'-P energy: -66.791 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -74.505 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: -75.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -968.852551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.852551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.852551 (E_RNA) where: Base-Base interactions energy: -608.414 where: short stacking energy: -300.297 Base-Backbone interact. energy: -1.324 local terms energy: -359.113886 where: bonds (distance) C4'-P energy: -68.446 bonds (distance) P-C4' energy: -74.901 flat angles C4'-P-C4' energy: -79.252 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -92.722 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: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -902.508907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.508907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.508907 (E_RNA) where: Base-Base interactions energy: -571.025 where: short stacking energy: -267.391 Base-Backbone interact. energy: -0.014 local terms energy: -331.469941 where: bonds (distance) C4'-P energy: -62.851 bonds (distance) P-C4' energy: -68.320 flat angles C4'-P-C4' energy: -79.430 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -72.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -847.009675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.009675 (E_RNA) where: Base-Base interactions energy: -552.658 where: short stacking energy: -266.031 Base-Backbone interact. energy: -0.876 local terms energy: -293.475166 where: bonds (distance) C4'-P energy: -52.440 bonds (distance) P-C4' energy: -55.612 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -41.178 tors. eta vs tors. theta energy: -77.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -748.663026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.663026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.663026 (E_RNA) where: Base-Base interactions energy: -467.736 where: short stacking energy: -230.261 Base-Backbone interact. energy: -2.047 local terms energy: -278.879729 where: bonds (distance) C4'-P energy: -58.950 bonds (distance) P-C4' energy: -67.995 flat angles C4'-P-C4' energy: -57.925 flat angles P-C4'-P energy: -40.968 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: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -531.340778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.340778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.340778 (E_RNA) where: Base-Base interactions energy: -277.394 where: short stacking energy: -137.865 Base-Backbone interact. energy: -2.710 local terms energy: -251.236418 where: bonds (distance) C4'-P energy: -62.216 bonds (distance) P-C4' energy: -62.640 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -27.531 tors. eta vs tors. theta energy: -30.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -321.365456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.365456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.365456 (E_RNA) where: Base-Base interactions energy: -136.976 where: short stacking energy: -103.483 Base-Backbone interact. energy: 0.902 local terms energy: -185.292316 where: bonds (distance) C4'-P energy: -40.189 bonds (distance) P-C4' energy: -72.818 flat angles C4'-P-C4' energy: -46.855 flat angles P-C4'-P energy: -30.760 tors. eta vs tors. theta energy: 5.329 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: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -301.235937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.235937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.235937 (E_RNA) where: Base-Base interactions energy: -125.913 where: short stacking energy: -76.351 Base-Backbone interact. energy: 2.228 local terms energy: -177.550552 where: bonds (distance) C4'-P energy: -54.495 bonds (distance) P-C4' energy: -56.928 flat angles C4'-P-C4' energy: -49.661 flat angles P-C4'-P energy: -27.571 tors. eta vs tors. theta energy: 11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1123.606689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.606689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.606689 (E_RNA) where: Base-Base interactions energy: -768.583 where: short stacking energy: -316.224 Base-Backbone interact. energy: 0.438 local terms energy: -355.462358 where: bonds (distance) C4'-P energy: -65.800 bonds (distance) P-C4' energy: -64.742 flat angles C4'-P-C4' energy: -79.009 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -90.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1115.104111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.104111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.104111 (E_RNA) where: Base-Base interactions energy: -766.204 where: short stacking energy: -336.894 Base-Backbone interact. energy: -0.722 local terms energy: -348.178675 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -65.982 flat angles C4'-P-C4' energy: -71.520 flat angles P-C4'-P energy: -53.903 tors. eta vs tors. theta energy: -93.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1005.266759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.266759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.266759 (E_RNA) where: Base-Base interactions energy: -668.253 where: short stacking energy: -315.371 Base-Backbone interact. energy: -1.434 local terms energy: -335.579007 where: bonds (distance) C4'-P energy: -60.193 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -82.922 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -84.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -968.200673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.200673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.200673 (E_RNA) where: Base-Base interactions energy: -646.065 where: short stacking energy: -302.639 Base-Backbone interact. energy: -0.779 local terms energy: -321.356813 where: bonds (distance) C4'-P energy: -58.809 bonds (distance) P-C4' energy: -56.566 flat angles C4'-P-C4' energy: -75.264 flat angles P-C4'-P energy: -39.600 tors. eta vs tors. theta energy: -91.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -877.075396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.075396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.075396 (E_RNA) where: Base-Base interactions energy: -559.872 where: short stacking energy: -263.959 Base-Backbone interact. energy: -1.094 local terms energy: -316.108736 where: bonds (distance) C4'-P energy: -60.477 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -67.651 flat angles P-C4'-P energy: -49.043 tors. eta vs tors. theta energy: -74.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -830.374824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.374824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.374824 (E_RNA) where: Base-Base interactions energy: -537.443 where: short stacking energy: -263.235 Base-Backbone interact. energy: -0.255 local terms energy: -292.676514 where: bonds (distance) C4'-P energy: -57.436 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -62.068 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -68.918 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: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -719.511591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.511591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.511591 (E_RNA) where: Base-Base interactions energy: -450.957 where: short stacking energy: -229.360 Base-Backbone interact. energy: -1.660 local terms energy: -266.894027 where: bonds (distance) C4'-P energy: -56.880 bonds (distance) P-C4' energy: -59.222 flat angles C4'-P-C4' energy: -55.307 flat angles P-C4'-P energy: -37.652 tors. eta vs tors. theta energy: -57.833 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -563.067979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.067979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.067979 (E_RNA) where: Base-Base interactions energy: -339.424 where: short stacking energy: -171.475 Base-Backbone interact. energy: 0.666 local terms energy: -224.309629 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -52.582 flat angles C4'-P-C4' energy: -55.488 flat angles P-C4'-P energy: -28.718 tors. eta vs tors. theta energy: -21.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -306.570290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.570290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.570290 (E_RNA) where: Base-Base interactions energy: -124.874 where: short stacking energy: -99.980 Base-Backbone interact. energy: -0.882 local terms energy: -180.814840 where: bonds (distance) C4'-P energy: -52.850 bonds (distance) P-C4' energy: -69.079 flat angles C4'-P-C4' energy: -39.963 flat angles P-C4'-P energy: -28.146 tors. eta vs tors. theta energy: 9.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -273.322066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.322066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.322066 (E_RNA) where: Base-Base interactions energy: -102.336 where: short stacking energy: -69.414 Base-Backbone interact. energy: -1.142 local terms energy: -169.844855 where: bonds (distance) C4'-P energy: -46.308 bonds (distance) P-C4' energy: -54.293 flat angles C4'-P-C4' energy: -50.696 flat angles P-C4'-P energy: -25.085 tors. eta vs tors. theta energy: 6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1121.069029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.069029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.069029 (E_RNA) where: Base-Base interactions energy: -740.896 where: short stacking energy: -320.480 Base-Backbone interact. energy: 2.137 local terms energy: -382.310012 where: bonds (distance) C4'-P energy: -73.355 bonds (distance) P-C4' energy: -80.674 flat angles C4'-P-C4' energy: -82.191 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -95.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1095.640574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.640574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.640574 (E_RNA) where: Base-Base interactions energy: -732.518 where: short stacking energy: -329.349 Base-Backbone interact. energy: -1.840 local terms energy: -361.282427 where: bonds (distance) C4'-P energy: -77.846 bonds (distance) P-C4' energy: -75.806 flat angles C4'-P-C4' energy: -61.419 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -100.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1003.173020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.173020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.173020 (E_RNA) where: Base-Base interactions energy: -656.404 where: short stacking energy: -318.705 Base-Backbone interact. energy: 1.616 local terms energy: -348.385751 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -73.247 flat angles P-C4'-P energy: -49.211 tors. eta vs tors. theta energy: -93.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -977.485326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.485326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.485326 (E_RNA) where: Base-Base interactions energy: -642.882 where: short stacking energy: -304.489 Base-Backbone interact. energy: 1.183 local terms energy: -335.785694 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -70.984 flat angles C4'-P-C4' energy: -75.290 flat angles P-C4'-P energy: -51.584 tors. eta vs tors. theta energy: -81.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -891.603878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.603878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.603878 (E_RNA) where: Base-Base interactions energy: -593.319 where: short stacking energy: -239.006 Base-Backbone interact. energy: 1.681 local terms energy: -299.965839 where: bonds (distance) C4'-P energy: -60.938 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -72.586 flat angles P-C4'-P energy: -34.711 tors. eta vs tors. theta energy: -63.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -822.275721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.275721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.275721 (E_RNA) where: Base-Base interactions energy: -536.634 where: short stacking energy: -237.436 Base-Backbone interact. energy: -1.703 local terms energy: -283.938452 where: bonds (distance) C4'-P energy: -66.831 bonds (distance) P-C4' energy: -61.524 flat angles C4'-P-C4' energy: -59.265 flat angles P-C4'-P energy: -43.446 tors. eta vs tors. theta energy: -52.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -746.870679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.870679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.870679 (E_RNA) where: Base-Base interactions energy: -475.374 where: short stacking energy: -229.402 Base-Backbone interact. energy: -1.371 local terms energy: -270.125671 where: bonds (distance) C4'-P energy: -53.817 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -65.721 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -56.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -603.112679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.112679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.112679 (E_RNA) where: Base-Base interactions energy: -360.206 where: short stacking energy: -169.600 Base-Backbone interact. energy: -0.793 local terms energy: -242.112937 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -57.996 flat angles C4'-P-C4' energy: -59.521 flat angles P-C4'-P energy: -38.770 tors. eta vs tors. theta energy: -31.610 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: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -319.306071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.306071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.306071 (E_RNA) where: Base-Base interactions energy: -128.690 where: short stacking energy: -85.996 Base-Backbone interact. energy: -1.163 local terms energy: -189.452990 where: bonds (distance) C4'-P energy: -44.183 bonds (distance) P-C4' energy: -53.446 flat angles C4'-P-C4' energy: -50.331 flat angles P-C4'-P energy: -37.412 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -287.715480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.715480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.715480 (E_RNA) where: Base-Base interactions energy: -100.563 where: short stacking energy: -86.219 Base-Backbone interact. energy: -1.531 local terms energy: -185.620870 where: bonds (distance) C4'-P energy: -54.694 bonds (distance) P-C4' energy: -64.408 flat angles C4'-P-C4' energy: -45.534 flat angles P-C4'-P energy: -28.187 tors. eta vs tors. theta energy: 7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1127.198399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.198399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.198399 (E_RNA) where: Base-Base interactions energy: -765.005 where: short stacking energy: -319.943 Base-Backbone interact. energy: -1.048 local terms energy: -361.145708 where: bonds (distance) C4'-P energy: -63.617 bonds (distance) P-C4' energy: -67.012 flat angles C4'-P-C4' energy: -82.069 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -94.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1085.169740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.169740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.169740 (E_RNA) where: Base-Base interactions energy: -725.563 where: short stacking energy: -330.114 Base-Backbone interact. energy: -0.685 local terms energy: -358.921590 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -73.738 flat angles P-C4'-P energy: -38.777 tors. eta vs tors. theta energy: -108.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -996.772311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.772311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.772311 (E_RNA) where: Base-Base interactions energy: -655.598 where: short stacking energy: -305.940 Base-Backbone interact. energy: -0.274 local terms energy: -340.900890 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -65.525 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -32.993 tors. eta vs tors. theta energy: -88.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -979.724578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.724578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.724578 (E_RNA) where: Base-Base interactions energy: -640.033 where: short stacking energy: -284.194 Base-Backbone interact. energy: -1.207 local terms energy: -338.484690 where: bonds (distance) C4'-P energy: -58.332 bonds (distance) P-C4' energy: -67.521 flat angles C4'-P-C4' energy: -76.891 flat angles P-C4'-P energy: -55.668 tors. eta vs tors. theta energy: -80.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -902.802967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.802967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.802967 (E_RNA) where: Base-Base interactions energy: -600.377 where: short stacking energy: -275.455 Base-Backbone interact. energy: 5.973 local terms energy: -308.399864 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -62.514 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -53.823 tors. eta vs tors. theta energy: -67.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -820.736408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.736408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.736408 (E_RNA) where: Base-Base interactions energy: -539.480 where: short stacking energy: -233.539 Base-Backbone interact. energy: -0.684 local terms energy: -280.573002 where: bonds (distance) C4'-P energy: -58.890 bonds (distance) P-C4' energy: -59.100 flat angles C4'-P-C4' energy: -65.051 flat angles P-C4'-P energy: -38.507 tors. eta vs tors. theta energy: -59.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -701.184238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.184238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.184238 (E_RNA) where: Base-Base interactions energy: -449.042 where: short stacking energy: -215.748 Base-Backbone interact. energy: -0.755 local terms energy: -251.387247 where: bonds (distance) C4'-P energy: -45.946 bonds (distance) P-C4' energy: -57.437 flat angles C4'-P-C4' energy: -63.583 flat angles P-C4'-P energy: -37.952 tors. eta vs tors. theta energy: -46.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -581.489945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.489945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.489945 (E_RNA) where: Base-Base interactions energy: -341.223 where: short stacking energy: -170.997 Base-Backbone interact. energy: -0.865 local terms energy: -239.402497 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -53.794 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -29.921 tors. eta vs tors. theta energy: -36.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -324.567093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.567093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.567093 (E_RNA) where: Base-Base interactions energy: -121.438 where: short stacking energy: -92.261 Base-Backbone interact. energy: 0.627 local terms energy: -203.755632 where: bonds (distance) C4'-P energy: -54.053 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -54.695 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: 1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -289.139083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.139083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.139083 (E_RNA) where: Base-Base interactions energy: -108.965 where: short stacking energy: -78.980 Base-Backbone interact. energy: 7.269 local terms energy: -187.442609 where: bonds (distance) C4'-P energy: -50.460 bonds (distance) P-C4' energy: -51.829 flat angles C4'-P-C4' energy: -62.579 flat angles P-C4'-P energy: -27.471 tors. eta vs tors. theta energy: 4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1122.477353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.477353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.477353 (E_RNA) where: Base-Base interactions energy: -767.093 where: short stacking energy: -336.458 Base-Backbone interact. energy: -0.061 local terms energy: -355.322945 where: bonds (distance) C4'-P energy: -69.478 bonds (distance) P-C4' energy: -66.509 flat angles C4'-P-C4' energy: -72.397 flat angles P-C4'-P energy: -57.686 tors. eta vs tors. theta energy: -89.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1061.819118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.819118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.819118 (E_RNA) where: Base-Base interactions energy: -704.397 where: short stacking energy: -335.423 Base-Backbone interact. energy: -1.275 local terms energy: -356.147158 where: bonds (distance) C4'-P energy: -68.547 bonds (distance) P-C4' energy: -66.165 flat angles C4'-P-C4' energy: -71.442 flat angles P-C4'-P energy: -44.046 tors. eta vs tors. theta energy: -105.947 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: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -990.914700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.914700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.914700 (E_RNA) where: Base-Base interactions energy: -655.754 where: short stacking energy: -310.485 Base-Backbone interact. energy: -0.682 local terms energy: -334.478951 where: bonds (distance) C4'-P energy: -71.299 bonds (distance) P-C4' energy: -71.393 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -30.551 tors. eta vs tors. theta energy: -87.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -929.818964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.818964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.818964 (E_RNA) where: Base-Base interactions energy: -610.157 where: short stacking energy: -295.039 Base-Backbone interact. energy: -2.012 local terms energy: -317.649692 where: bonds (distance) C4'-P energy: -60.670 bonds (distance) P-C4' energy: -60.031 flat angles C4'-P-C4' energy: -76.946 flat angles P-C4'-P energy: -43.333 tors. eta vs tors. theta energy: -76.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -863.038434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.038434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.038434 (E_RNA) where: Base-Base interactions energy: -563.662 where: short stacking energy: -273.060 Base-Backbone interact. energy: -0.713 local terms energy: -298.663241 where: bonds (distance) C4'-P energy: -52.438 bonds (distance) P-C4' energy: -66.617 flat angles C4'-P-C4' energy: -71.568 flat angles P-C4'-P energy: -38.069 tors. eta vs tors. theta energy: -69.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -862.911098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.911098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.911098 (E_RNA) where: Base-Base interactions energy: -577.216 where: short stacking energy: -259.759 Base-Backbone interact. energy: -0.258 local terms energy: -285.437481 where: bonds (distance) C4'-P energy: -63.003 bonds (distance) P-C4' energy: -46.753 flat angles C4'-P-C4' energy: -69.168 flat angles P-C4'-P energy: -38.351 tors. eta vs tors. theta energy: -68.163 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: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -710.403938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.403938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.403938 (E_RNA) where: Base-Base interactions energy: -430.237 where: short stacking energy: -193.122 Base-Backbone interact. energy: 2.185 local terms energy: -282.352312 where: bonds (distance) C4'-P energy: -60.848 bonds (distance) P-C4' energy: -71.496 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -46.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -503.716539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.716539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.716539 (E_RNA) where: Base-Base interactions energy: -286.871 where: short stacking energy: -152.765 Base-Backbone interact. energy: 2.300 local terms energy: -219.145286 where: bonds (distance) C4'-P energy: -49.967 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -56.087 flat angles P-C4'-P energy: -21.975 tors. eta vs tors. theta energy: -21.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -315.059167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.059167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.059167 (E_RNA) where: Base-Base interactions energy: -133.418 where: short stacking energy: -121.468 Base-Backbone interact. energy: -0.858 local terms energy: -180.782900 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -53.051 flat angles C4'-P-C4' energy: -33.115 flat angles P-C4'-P energy: -31.448 tors. eta vs tors. theta energy: 1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -287.189786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.189786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.189786 (E_RNA) where: Base-Base interactions energy: -115.622 where: short stacking energy: -84.689 Base-Backbone interact. energy: -2.115 local terms energy: -169.453542 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -53.234 flat angles C4'-P-C4' energy: -36.384 flat angles P-C4'-P energy: -31.196 tors. eta vs tors. theta energy: 12.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1133.458946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.458946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.458946 (E_RNA) where: Base-Base interactions energy: -770.795 where: short stacking energy: -313.436 Base-Backbone interact. energy: -2.490 local terms energy: -360.174267 where: bonds (distance) C4'-P energy: -69.830 bonds (distance) P-C4' energy: -74.493 flat angles C4'-P-C4' energy: -66.768 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -92.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1064.391713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.391713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.391713 (E_RNA) where: Base-Base interactions energy: -705.146 where: short stacking energy: -331.181 Base-Backbone interact. energy: -0.718 local terms energy: -358.527217 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -66.111 flat angles C4'-P-C4' energy: -73.119 flat angles P-C4'-P energy: -53.286 tors. eta vs tors. theta energy: -91.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -983.816254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.816254 (E_RNA) where: Base-Base interactions energy: -640.153 where: short stacking energy: -294.792 Base-Backbone interact. energy: -1.256 local terms energy: -342.406998 where: bonds (distance) C4'-P energy: -70.427 bonds (distance) P-C4' energy: -70.396 flat angles C4'-P-C4' energy: -77.469 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -82.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -881.464155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.464155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.464155 (E_RNA) where: Base-Base interactions energy: -569.737 where: short stacking energy: -269.674 Base-Backbone interact. energy: -0.247 local terms energy: -311.480559 where: bonds (distance) C4'-P energy: -49.769 bonds (distance) P-C4' energy: -66.042 flat angles C4'-P-C4' energy: -74.447 flat angles P-C4'-P energy: -45.194 tors. eta vs tors. theta energy: -76.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -911.201299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.201299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.201299 (E_RNA) where: Base-Base interactions energy: -613.234 where: short stacking energy: -279.904 Base-Backbone interact. energy: -1.676 local terms energy: -296.290880 where: bonds (distance) C4'-P energy: -58.516 bonds (distance) P-C4' energy: -49.365 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -77.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -863.784344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.784344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.784344 (E_RNA) where: Base-Base interactions energy: -572.922 where: short stacking energy: -239.826 Base-Backbone interact. energy: -1.081 local terms energy: -289.780913 where: bonds (distance) C4'-P energy: -57.505 bonds (distance) P-C4' energy: -55.238 flat angles C4'-P-C4' energy: -66.747 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -68.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -714.172005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.172005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.172005 (E_RNA) where: Base-Base interactions energy: -451.042 where: short stacking energy: -223.958 Base-Backbone interact. energy: -3.110 local terms energy: -260.020746 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -57.503 flat angles C4'-P-C4' energy: -52.270 flat angles P-C4'-P energy: -36.407 tors. eta vs tors. theta energy: -52.598 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: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -546.404910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.404910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.404910 (E_RNA) where: Base-Base interactions energy: -301.367 where: short stacking energy: -146.127 Base-Backbone interact. energy: -2.683 local terms energy: -242.354823 where: bonds (distance) C4'-P energy: -49.841 bonds (distance) P-C4' energy: -57.601 flat angles C4'-P-C4' energy: -62.889 flat angles P-C4'-P energy: -34.570 tors. eta vs tors. theta energy: -37.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -297.414355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.414355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.414355 (E_RNA) where: Base-Base interactions energy: -98.257 where: short stacking energy: -90.789 Base-Backbone interact. energy: 7.368 local terms energy: -206.525241 where: bonds (distance) C4'-P energy: -65.176 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -45.863 flat angles P-C4'-P energy: -33.531 tors. eta vs tors. theta energy: 3.402 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: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -279.318023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.318023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.318023 (E_RNA) where: Base-Base interactions energy: -105.842 where: short stacking energy: -102.669 Base-Backbone interact. energy: -1.277 local terms energy: -172.198997 where: bonds (distance) C4'-P energy: -45.705 bonds (distance) P-C4' energy: -55.892 flat angles C4'-P-C4' energy: -40.095 flat angles P-C4'-P energy: -34.122 tors. eta vs tors. theta energy: 3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1131.361053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.361053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.361053 (E_RNA) where: Base-Base interactions energy: -776.248 where: short stacking energy: -342.849 Base-Backbone interact. energy: -0.565 local terms energy: -354.547950 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -67.732 flat angles C4'-P-C4' energy: -76.416 flat angles P-C4'-P energy: -48.711 tors. eta vs tors. theta energy: -96.263 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: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1072.331414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.331414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.331414 (E_RNA) where: Base-Base interactions energy: -720.125 where: short stacking energy: -323.715 Base-Backbone interact. energy: 0.094 local terms energy: -352.300517 where: bonds (distance) C4'-P energy: -63.743 bonds (distance) P-C4' energy: -70.144 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -56.972 tors. eta vs tors. theta energy: -94.360 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: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -946.595643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.595643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.595643 (E_RNA) where: Base-Base interactions energy: -618.911 where: short stacking energy: -313.105 Base-Backbone interact. energy: -0.588 local terms energy: -327.096542 where: bonds (distance) C4'-P energy: -53.646 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -63.191 flat angles P-C4'-P energy: -61.719 tors. eta vs tors. theta energy: -89.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -940.697135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.697135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.697135 (E_RNA) where: Base-Base interactions energy: -613.610 where: short stacking energy: -279.926 Base-Backbone interact. energy: -0.825 local terms energy: -326.262401 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -71.827 flat angles C4'-P-C4' energy: -71.649 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -75.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -919.421185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.421185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.421185 (E_RNA) where: Base-Base interactions energy: -610.434 where: short stacking energy: -288.536 Base-Backbone interact. energy: 0.739 local terms energy: -309.726669 where: bonds (distance) C4'-P energy: -58.177 bonds (distance) P-C4' energy: -61.938 flat angles C4'-P-C4' energy: -68.835 flat angles P-C4'-P energy: -40.500 tors. eta vs tors. theta energy: -80.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -869.275297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.275297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.275297 (E_RNA) where: Base-Base interactions energy: -582.447 where: short stacking energy: -237.635 Base-Backbone interact. energy: -1.699 local terms energy: -285.128620 where: bonds (distance) C4'-P energy: -48.310 bonds (distance) P-C4' energy: -69.161 flat angles C4'-P-C4' energy: -67.826 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: -54.086 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: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -770.953630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.953630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.953630 (E_RNA) where: Base-Base interactions energy: -482.132 where: short stacking energy: -231.259 Base-Backbone interact. energy: -0.076 local terms energy: -288.745693 where: bonds (distance) C4'-P energy: -56.478 bonds (distance) P-C4' energy: -52.298 flat angles C4'-P-C4' energy: -74.916 flat angles P-C4'-P energy: -38.189 tors. eta vs tors. theta energy: -66.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -540.538614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.538614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.538614 (E_RNA) where: Base-Base interactions energy: -306.794 where: short stacking energy: -185.383 Base-Backbone interact. energy: -0.713 local terms energy: -233.031016 where: bonds (distance) C4'-P energy: -44.525 bonds (distance) P-C4' energy: -53.348 flat angles C4'-P-C4' energy: -58.716 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -40.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -284.662853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.662853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.662853 (E_RNA) where: Base-Base interactions energy: -96.079 where: short stacking energy: -83.921 Base-Backbone interact. energy: 1.260 local terms energy: -189.843637 where: bonds (distance) C4'-P energy: -48.906 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -51.991 flat angles P-C4'-P energy: -27.524 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -282.843263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.843263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.843263 (E_RNA) where: Base-Base interactions energy: -108.598 where: short stacking energy: -80.845 Base-Backbone interact. energy: -0.514 local terms energy: -173.731478 where: bonds (distance) C4'-P energy: -53.689 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -32.053 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: 16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1164.879981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.879981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.879981 (E_RNA) where: Base-Base interactions energy: -794.042 where: short stacking energy: -324.980 Base-Backbone interact. energy: -1.006 local terms energy: -369.832146 where: bonds (distance) C4'-P energy: -69.684 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -80.875 flat angles P-C4'-P energy: -53.685 tors. eta vs tors. theta energy: -96.135 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: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1084.817347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.817347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.817347 (E_RNA) where: Base-Base interactions energy: -719.635 where: short stacking energy: -343.394 Base-Backbone interact. energy: -0.676 local terms energy: -364.506666 where: bonds (distance) C4'-P energy: -67.065 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -78.309 flat angles P-C4'-P energy: -48.594 tors. eta vs tors. theta energy: -108.438 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: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -918.542254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.542254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.542254 (E_RNA) where: Base-Base interactions energy: -610.370 where: short stacking energy: -278.315 Base-Backbone interact. energy: 1.930 local terms energy: -310.102650 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -39.077 flat angles C4'-P-C4' energy: -67.282 flat angles P-C4'-P energy: -57.051 tors. eta vs tors. theta energy: -76.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -978.862398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.862398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.862398 (E_RNA) where: Base-Base interactions energy: -653.898 where: short stacking energy: -287.226 Base-Backbone interact. energy: -1.107 local terms energy: -323.856889 where: bonds (distance) C4'-P energy: -45.752 bonds (distance) P-C4' energy: -64.570 flat angles C4'-P-C4' energy: -77.615 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -90.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -914.527364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.527364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.527364 (E_RNA) where: Base-Base interactions energy: -615.546 where: short stacking energy: -288.053 Base-Backbone interact. energy: -1.246 local terms energy: -297.735292 where: bonds (distance) C4'-P energy: -67.473 bonds (distance) P-C4' energy: -42.404 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -34.616 tors. eta vs tors. theta energy: -73.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -868.287013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.287013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.287013 (E_RNA) where: Base-Base interactions energy: -561.963 where: short stacking energy: -270.500 Base-Backbone interact. energy: -0.151 local terms energy: -306.172647 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -65.860 flat angles C4'-P-C4' energy: -65.167 flat angles P-C4'-P energy: -44.265 tors. eta vs tors. theta energy: -71.357 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: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -745.473384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.473384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.473384 (E_RNA) where: Base-Base interactions energy: -464.858 where: short stacking energy: -199.531 Base-Backbone interact. energy: -0.027 local terms energy: -280.587599 where: bonds (distance) C4'-P energy: -69.092 bonds (distance) P-C4' energy: -66.050 flat angles C4'-P-C4' energy: -56.475 flat angles P-C4'-P energy: -33.943 tors. eta vs tors. theta energy: -55.028 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: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -480.411536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.411536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.411536 (E_RNA) where: Base-Base interactions energy: -261.411 where: short stacking energy: -163.048 Base-Backbone interact. energy: -0.083 local terms energy: -218.918070 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -53.531 flat angles C4'-P-C4' energy: -43.272 flat angles P-C4'-P energy: -21.085 tors. eta vs tors. theta energy: -33.945 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: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -344.434372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.434372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.434372 (E_RNA) where: Base-Base interactions energy: -133.233 where: short stacking energy: -102.616 Base-Backbone interact. energy: 0.045 local terms energy: -211.246535 where: bonds (distance) C4'-P energy: -58.557 bonds (distance) P-C4' energy: -68.724 flat angles C4'-P-C4' energy: -53.352 flat angles P-C4'-P energy: -33.312 tors. eta vs tors. theta energy: 2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -303.129390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.129390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.129390 (E_RNA) where: Base-Base interactions energy: -106.422 where: short stacking energy: -94.464 Base-Backbone interact. energy: -0.079 local terms energy: -196.628134 where: bonds (distance) C4'-P energy: -43.403 bonds (distance) P-C4' energy: -62.950 flat angles C4'-P-C4' energy: -55.516 flat angles P-C4'-P energy: -34.076 tors. eta vs tors. theta energy: -0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1130.960564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.960564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.960564 (E_RNA) where: Base-Base interactions energy: -768.998 where: short stacking energy: -313.574 Base-Backbone interact. energy: -3.022 local terms energy: -358.940232 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -77.722 flat angles C4'-P-C4' energy: -76.215 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -96.957 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: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1083.836275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.836275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.836275 (E_RNA) where: Base-Base interactions energy: -720.080 where: short stacking energy: -338.447 Base-Backbone interact. energy: -0.709 local terms energy: -363.047587 where: bonds (distance) C4'-P energy: -62.947 bonds (distance) P-C4' energy: -69.365 flat angles C4'-P-C4' energy: -77.616 flat angles P-C4'-P energy: -58.840 tors. eta vs tors. theta energy: -94.280 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: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -987.835552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.835552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.835552 (E_RNA) where: Base-Base interactions energy: -650.674 where: short stacking energy: -311.188 Base-Backbone interact. energy: -1.945 local terms energy: -335.216022 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -90.830 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: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -874.246567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.246567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.246567 (E_RNA) where: Base-Base interactions energy: -552.039 where: short stacking energy: -252.623 Base-Backbone interact. energy: -4.940 local terms energy: -317.267735 where: bonds (distance) C4'-P energy: -61.706 bonds (distance) P-C4' energy: -71.581 flat angles C4'-P-C4' energy: -67.848 flat angles P-C4'-P energy: -49.075 tors. eta vs tors. theta energy: -67.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -884.381315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.381315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.381315 (E_RNA) where: Base-Base interactions energy: -575.966 where: short stacking energy: -246.557 Base-Backbone interact. energy: -0.860 local terms energy: -307.555012 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -74.952 flat angles P-C4'-P energy: -38.344 tors. eta vs tors. theta energy: -69.386 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: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -898.646947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.646947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.646947 (E_RNA) where: Base-Base interactions energy: -590.208 where: short stacking energy: -272.841 Base-Backbone interact. energy: -1.563 local terms energy: -306.875944 where: bonds (distance) C4'-P energy: -47.658 bonds (distance) P-C4' energy: -70.180 flat angles C4'-P-C4' energy: -68.876 flat angles P-C4'-P energy: -46.219 tors. eta vs tors. theta energy: -73.944 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: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -771.980984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.980984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.980984 (E_RNA) where: Base-Base interactions energy: -513.709 where: short stacking energy: -238.800 Base-Backbone interact. energy: -2.240 local terms energy: -256.032149 where: bonds (distance) C4'-P energy: -52.170 bonds (distance) P-C4' energy: -39.547 flat angles C4'-P-C4' energy: -67.035 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -57.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -518.445189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.445189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.445189 (E_RNA) where: Base-Base interactions energy: -286.554 where: short stacking energy: -166.088 Base-Backbone interact. energy: -0.458 local terms energy: -231.433027 where: bonds (distance) C4'-P energy: -62.939 bonds (distance) P-C4' energy: -56.530 flat angles C4'-P-C4' energy: -59.095 flat angles P-C4'-P energy: -27.154 tors. eta vs tors. theta energy: -25.715 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: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -300.936158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.936158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.936158 (E_RNA) where: Base-Base interactions energy: -113.846 where: short stacking energy: -92.609 Base-Backbone interact. energy: -1.140 local terms energy: -185.950348 where: bonds (distance) C4'-P energy: -54.513 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -44.834 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: 10.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -279.452512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.452512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.452512 (E_RNA) where: Base-Base interactions energy: -83.871 where: short stacking energy: -77.981 Base-Backbone interact. energy: -0.461 local terms energy: -195.120859 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -64.858 flat angles C4'-P-C4' energy: -50.657 flat angles P-C4'-P energy: -23.135 tors. eta vs tors. theta energy: 5.065 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: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1138.258641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.258641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.258641 (E_RNA) where: Base-Base interactions energy: -783.992 where: short stacking energy: -336.087 Base-Backbone interact. energy: 1.922 local terms energy: -356.189059 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -71.582 flat angles C4'-P-C4' energy: -70.177 flat angles P-C4'-P energy: -47.311 tors. eta vs tors. theta energy: -98.470 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: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1072.891566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.891566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.891566 (E_RNA) where: Base-Base interactions energy: -715.103 where: short stacking energy: -314.537 Base-Backbone interact. energy: -0.926 local terms energy: -356.862249 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -72.827 flat angles C4'-P-C4' energy: -75.474 flat angles P-C4'-P energy: -58.693 tors. eta vs tors. theta energy: -81.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -997.162090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.162090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.162090 (E_RNA) where: Base-Base interactions energy: -668.688 where: short stacking energy: -332.597 Base-Backbone interact. energy: -0.612 local terms energy: -327.862047 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -67.020 flat angles C4'-P-C4' energy: -67.098 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -96.572 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: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -895.385613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.385613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.385613 (E_RNA) where: Base-Base interactions energy: -581.612 where: short stacking energy: -275.466 Base-Backbone interact. energy: -2.650 local terms energy: -311.123350 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -41.271 tors. eta vs tors. theta energy: -69.413 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: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -897.727914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.727914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.727914 (E_RNA) where: Base-Base interactions energy: -586.555 where: short stacking energy: -252.188 Base-Backbone interact. energy: -1.107 local terms energy: -310.066000 where: bonds (distance) C4'-P energy: -56.322 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -66.482 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -70.975 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: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -894.287745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.287745 (E_RNA) where: Base-Base interactions energy: -606.282 where: short stacking energy: -270.911 Base-Backbone interact. energy: -1.413 local terms energy: -286.593310 where: bonds (distance) C4'-P energy: -64.241 bonds (distance) P-C4' energy: -54.137 flat angles C4'-P-C4' energy: -64.658 flat angles P-C4'-P energy: -37.931 tors. eta vs tors. theta energy: -65.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -763.635072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.635072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.635072 (E_RNA) where: Base-Base interactions energy: -483.945 where: short stacking energy: -202.938 Base-Backbone interact. energy: 1.088 local terms energy: -280.777910 where: bonds (distance) C4'-P energy: -61.725 bonds (distance) P-C4' energy: -62.274 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -40.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -508.195802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.195802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.195802 (E_RNA) where: Base-Base interactions energy: -280.068 where: short stacking energy: -163.203 Base-Backbone interact. energy: -1.621 local terms energy: -226.505881 where: bonds (distance) C4'-P energy: -58.584 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -60.664 flat angles P-C4'-P energy: -29.685 tors. eta vs tors. theta energy: -17.077 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: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -324.149630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.149630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.149630 (E_RNA) where: Base-Base interactions energy: -108.489 where: short stacking energy: -93.940 Base-Backbone interact. energy: 3.787 local terms energy: -219.447548 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -48.515 flat angles P-C4'-P energy: -26.285 tors. eta vs tors. theta energy: -14.808 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: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -285.662483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.662483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.662483 (E_RNA) where: Base-Base interactions energy: -103.357 where: short stacking energy: -80.576 Base-Backbone interact. energy: 0.240 local terms energy: -182.545154 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -54.319 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -24.214 tors. eta vs tors. theta energy: 13.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1109.220851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.220851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.220851 (E_RNA) where: Base-Base interactions energy: -776.365 where: short stacking energy: -318.386 Base-Backbone interact. energy: 5.935 local terms energy: -338.791286 where: bonds (distance) C4'-P energy: -55.124 bonds (distance) P-C4' energy: -71.609 flat angles C4'-P-C4' energy: -76.431 flat angles P-C4'-P energy: -50.468 tors. eta vs tors. theta energy: -85.158 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: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1079.930026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.930026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.930026 (E_RNA) where: Base-Base interactions energy: -719.530 where: short stacking energy: -331.473 Base-Backbone interact. energy: -1.241 local terms energy: -359.159090 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -71.558 flat angles P-C4'-P energy: -55.466 tors. eta vs tors. theta energy: -99.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -940.592078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.592078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.592078 (E_RNA) where: Base-Base interactions energy: -618.808 where: short stacking energy: -305.683 Base-Backbone interact. energy: -0.554 local terms energy: -321.230559 where: bonds (distance) C4'-P energy: -62.496 bonds (distance) P-C4' energy: -68.190 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -34.735 tors. eta vs tors. theta energy: -80.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -978.079409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.079409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.079409 (E_RNA) where: Base-Base interactions energy: -662.671 where: short stacking energy: -297.853 Base-Backbone interact. energy: 0.529 local terms energy: -315.937303 where: bonds (distance) C4'-P energy: -60.582 bonds (distance) P-C4' energy: -68.563 flat angles C4'-P-C4' energy: -72.706 flat angles P-C4'-P energy: -40.522 tors. eta vs tors. theta energy: -73.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -956.889431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.889431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.889431 (E_RNA) where: Base-Base interactions energy: -649.825 where: short stacking energy: -292.463 Base-Backbone interact. energy: -1.817 local terms energy: -305.247031 where: bonds (distance) C4'-P energy: -62.435 bonds (distance) P-C4' energy: -53.157 flat angles C4'-P-C4' energy: -61.932 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -80.792 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: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -851.475248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.475248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.475248 (E_RNA) where: Base-Base interactions energy: -559.357 where: short stacking energy: -255.656 Base-Backbone interact. energy: 0.631 local terms energy: -292.749592 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -65.748 flat angles P-C4'-P energy: -43.690 tors. eta vs tors. theta energy: -67.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -735.470894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.470894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.470894 (E_RNA) where: Base-Base interactions energy: -480.622 where: short stacking energy: -201.748 Base-Backbone interact. energy: -0.643 local terms energy: -254.206278 where: bonds (distance) C4'-P energy: -49.554 bonds (distance) P-C4' energy: -55.421 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -38.902 tors. eta vs tors. theta energy: -46.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -510.534100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.534100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.534100 (E_RNA) where: Base-Base interactions energy: -262.077 where: short stacking energy: -138.100 Base-Backbone interact. energy: 6.214 local terms energy: -254.670989 where: bonds (distance) C4'-P energy: -56.381 bonds (distance) P-C4' energy: -66.810 flat angles C4'-P-C4' energy: -57.691 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -29.654 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: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -310.362952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.362952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.362952 (E_RNA) where: Base-Base interactions energy: -104.996 where: short stacking energy: -98.340 Base-Backbone interact. energy: 4.462 local terms energy: -209.828156 where: bonds (distance) C4'-P energy: -57.948 bonds (distance) P-C4' energy: -59.305 flat angles C4'-P-C4' energy: -64.768 flat angles P-C4'-P energy: -38.056 tors. eta vs tors. theta energy: 10.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -276.378717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.378717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.378717 (E_RNA) where: Base-Base interactions energy: -100.845 where: short stacking energy: -83.458 Base-Backbone interact. energy: 0.230 local terms energy: -175.763611 where: bonds (distance) C4'-P energy: -62.313 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -49.847 flat angles P-C4'-P energy: -25.674 tors. eta vs tors. theta energy: 10.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1118.046854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.046854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.046854 (E_RNA) where: Base-Base interactions energy: -763.405 where: short stacking energy: -310.407 Base-Backbone interact. energy: -3.709 local terms energy: -350.932684 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -74.509 flat angles C4'-P-C4' energy: -76.200 flat angles P-C4'-P energy: -49.910 tors. eta vs tors. theta energy: -82.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1085.948452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.948452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.948452 (E_RNA) where: Base-Base interactions energy: -731.682 where: short stacking energy: -338.040 Base-Backbone interact. energy: -2.245 local terms energy: -352.021385 where: bonds (distance) C4'-P energy: -67.279 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -69.580 flat angles P-C4'-P energy: -52.858 tors. eta vs tors. theta energy: -96.474 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: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -949.303853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.303853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.303853 (E_RNA) where: Base-Base interactions energy: -625.464 where: short stacking energy: -294.466 Base-Backbone interact. energy: 1.319 local terms energy: -325.158372 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -79.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -967.678626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.678626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.678626 (E_RNA) where: Base-Base interactions energy: -647.232 where: short stacking energy: -299.378 Base-Backbone interact. energy: 0.241 local terms energy: -320.687550 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -54.744 flat angles C4'-P-C4' energy: -74.237 flat angles P-C4'-P energy: -39.912 tors. eta vs tors. theta energy: -92.480 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: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -988.155115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.155115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.155115 (E_RNA) where: Base-Base interactions energy: -648.693 where: short stacking energy: -298.433 Base-Backbone interact. energy: -1.690 local terms energy: -337.771491 where: bonds (distance) C4'-P energy: -63.251 bonds (distance) P-C4' energy: -72.217 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -87.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -844.591299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.591299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.591299 (E_RNA) where: Base-Base interactions energy: -559.024 where: short stacking energy: -250.300 Base-Backbone interact. energy: -1.717 local terms energy: -283.850093 where: bonds (distance) C4'-P energy: -53.545 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -55.985 flat angles P-C4'-P energy: -48.910 tors. eta vs tors. theta energy: -68.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -737.766305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.766305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.766305 (E_RNA) where: Base-Base interactions energy: -485.925 where: short stacking energy: -221.529 Base-Backbone interact. energy: -1.959 local terms energy: -249.882206 where: bonds (distance) C4'-P energy: -40.585 bonds (distance) P-C4' energy: -58.327 flat angles C4'-P-C4' energy: -59.199 flat angles P-C4'-P energy: -37.846 tors. eta vs tors. theta energy: -53.925 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: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -525.711083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.711083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.711083 (E_RNA) where: Base-Base interactions energy: -288.709 where: short stacking energy: -170.464 Base-Backbone interact. energy: -1.099 local terms energy: -235.903182 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -68.929 flat angles C4'-P-C4' energy: -61.397 flat angles P-C4'-P energy: -23.099 tors. eta vs tors. theta energy: -28.258 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: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -319.613945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.613945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.613945 (E_RNA) where: Base-Base interactions energy: -151.997 where: short stacking energy: -90.387 Base-Backbone interact. energy: -3.432 local terms energy: -164.184077 where: bonds (distance) C4'-P energy: -47.906 bonds (distance) P-C4' energy: -50.438 flat angles C4'-P-C4' energy: -45.689 flat angles P-C4'-P energy: -34.940 tors. eta vs tors. theta energy: 14.788 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: 10, replica: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -287.432042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.432042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.432042 (E_RNA) where: Base-Base interactions energy: -102.775 where: short stacking energy: -85.986 Base-Backbone interact. energy: -1.875 local terms energy: -182.782115 where: bonds (distance) C4'-P energy: -61.845 bonds (distance) P-C4' energy: -53.565 flat angles C4'-P-C4' energy: -38.960 flat angles P-C4'-P energy: -30.906 tors. eta vs tors. theta energy: 2.495 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: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1079.885380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.885380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.885380 (E_RNA) where: Base-Base interactions energy: -706.033 where: short stacking energy: -322.236 Base-Backbone interact. energy: -1.595 local terms energy: -372.257592 where: bonds (distance) C4'-P energy: -77.369 bonds (distance) P-C4' energy: -78.362 flat angles C4'-P-C4' energy: -78.503 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -89.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1092.643508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.643508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.643508 (E_RNA) where: Base-Base interactions energy: -760.473 where: short stacking energy: -328.345 Base-Backbone interact. energy: -1.597 local terms energy: -330.573195 where: bonds (distance) C4'-P energy: -77.342 bonds (distance) P-C4' energy: -56.492 flat angles C4'-P-C4' energy: -65.515 flat angles P-C4'-P energy: -40.510 tors. eta vs tors. theta energy: -90.714 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: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -980.564246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.564246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.564246 (E_RNA) where: Base-Base interactions energy: -628.009 where: short stacking energy: -295.775 Base-Backbone interact. energy: -2.681 local terms energy: -349.874781 where: bonds (distance) C4'-P energy: -68.566 bonds (distance) P-C4' energy: -69.274 flat angles C4'-P-C4' energy: -72.215 flat angles P-C4'-P energy: -46.484 tors. eta vs tors. theta energy: -93.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -933.275396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.275396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.275396 (E_RNA) where: Base-Base interactions energy: -613.641 where: short stacking energy: -281.737 Base-Backbone interact. energy: -1.262 local terms energy: -318.372450 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -63.735 flat angles C4'-P-C4' energy: -72.648 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -80.840 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: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -915.198798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.198798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.198798 (E_RNA) where: Base-Base interactions energy: -608.314 where: short stacking energy: -254.354 Base-Backbone interact. energy: -1.929 local terms energy: -304.955882 where: bonds (distance) C4'-P energy: -63.652 bonds (distance) P-C4' energy: -64.756 flat angles C4'-P-C4' energy: -65.415 flat angles P-C4'-P energy: -39.477 tors. eta vs tors. theta energy: -71.656 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: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -835.384359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.384359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.384359 (E_RNA) where: Base-Base interactions energy: -525.993 where: short stacking energy: -231.727 Base-Backbone interact. energy: 1.857 local terms energy: -311.249163 where: bonds (distance) C4'-P energy: -68.725 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -65.933 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -64.017 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: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -757.750123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.750123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.750123 (E_RNA) where: Base-Base interactions energy: -514.686 where: short stacking energy: -234.083 Base-Backbone interact. energy: -0.222 local terms energy: -242.842339 where: bonds (distance) C4'-P energy: -42.403 bonds (distance) P-C4' energy: -61.131 flat angles C4'-P-C4' energy: -56.549 flat angles P-C4'-P energy: -28.478 tors. eta vs tors. theta energy: -54.282 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: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -496.598735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.598735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.598735 (E_RNA) where: Base-Base interactions energy: -263.650 where: short stacking energy: -159.036 Base-Backbone interact. energy: 0.937 local terms energy: -233.886129 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -53.103 flat angles C4'-P-C4' energy: -65.473 flat angles P-C4'-P energy: -33.293 tors. eta vs tors. theta energy: -23.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -341.939453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.939453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.939453 (E_RNA) where: Base-Base interactions energy: -126.365 where: short stacking energy: -89.114 Base-Backbone interact. energy: 1.691 local terms energy: -217.265297 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -28.623 tors. eta vs tors. theta energy: 1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -287.603629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.603629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.603629 (E_RNA) where: Base-Base interactions energy: -102.026 where: short stacking energy: -68.588 Base-Backbone interact. energy: -2.522 local terms energy: -183.055851 where: bonds (distance) C4'-P energy: -49.755 bonds (distance) P-C4' energy: -54.022 flat angles C4'-P-C4' energy: -61.082 flat angles P-C4'-P energy: -31.000 tors. eta vs tors. theta energy: 12.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1092.184403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.184403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.184403 (E_RNA) where: Base-Base interactions energy: -720.291 where: short stacking energy: -335.242 Base-Backbone interact. energy: -2.049 local terms energy: -369.844342 where: bonds (distance) C4'-P energy: -70.574 bonds (distance) P-C4' energy: -72.198 flat angles C4'-P-C4' energy: -82.850 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: -91.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1094.572308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.572308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.572308 (E_RNA) where: Base-Base interactions energy: -765.074 where: short stacking energy: -308.073 Base-Backbone interact. energy: -2.205 local terms energy: -327.292685 where: bonds (distance) C4'-P energy: -56.086 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -76.812 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -80.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -997.108982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.108982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.108982 (E_RNA) where: Base-Base interactions energy: -651.983 where: short stacking energy: -315.407 Base-Backbone interact. energy: -1.147 local terms energy: -343.979649 where: bonds (distance) C4'-P energy: -72.056 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: -85.334 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: 447 Temperature: 1.050000 Total energy: -955.711718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.711718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.711718 (E_RNA) where: Base-Base interactions energy: -639.996 where: short stacking energy: -296.248 Base-Backbone interact. energy: 6.527 local terms energy: -322.242705 where: bonds (distance) C4'-P energy: -67.390 bonds (distance) P-C4' energy: -64.409 flat angles C4'-P-C4' energy: -71.751 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -78.773 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: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -900.698819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.698819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.698819 (E_RNA) where: Base-Base interactions energy: -590.766 where: short stacking energy: -286.349 Base-Backbone interact. energy: -0.687 local terms energy: -309.245957 where: bonds (distance) C4'-P energy: -50.206 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -69.627 flat angles P-C4'-P energy: -45.098 tors. eta vs tors. theta energy: -83.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -804.806628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.806628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.806628 (E_RNA) where: Base-Base interactions energy: -510.053 where: short stacking energy: -228.356 Base-Backbone interact. energy: -0.146 local terms energy: -294.607277 where: bonds (distance) C4'-P energy: -57.013 bonds (distance) P-C4' energy: -73.451 flat angles C4'-P-C4' energy: -61.369 flat angles P-C4'-P energy: -45.674 tors. eta vs tors. theta energy: -57.100 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: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -725.887437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.887437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.887437 (E_RNA) where: Base-Base interactions energy: -463.626 where: short stacking energy: -211.042 Base-Backbone interact. energy: -1.612 local terms energy: -260.648816 where: bonds (distance) C4'-P energy: -64.371 bonds (distance) P-C4' energy: -54.926 flat angles C4'-P-C4' energy: -60.245 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -38.192 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: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -504.081706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.081706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.081706 (E_RNA) where: Base-Base interactions energy: -266.779 where: short stacking energy: -164.487 Base-Backbone interact. energy: 3.253 local terms energy: -240.555527 where: bonds (distance) C4'-P energy: -62.393 bonds (distance) P-C4' energy: -54.942 flat angles C4'-P-C4' energy: -58.271 flat angles P-C4'-P energy: -34.837 tors. eta vs tors. theta energy: -30.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -308.002949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.002949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.002949 (E_RNA) where: Base-Base interactions energy: -108.452 where: short stacking energy: -91.038 Base-Backbone interact. energy: -0.826 local terms energy: -198.725082 where: bonds (distance) C4'-P energy: -58.436 bonds (distance) P-C4' energy: -56.962 flat angles C4'-P-C4' energy: -57.893 flat angles P-C4'-P energy: -20.083 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -300.149550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.149550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.149550 (E_RNA) where: Base-Base interactions energy: -122.896 where: short stacking energy: -95.083 Base-Backbone interact. energy: 4.200 local terms energy: -181.453037 where: bonds (distance) C4'-P energy: -60.911 bonds (distance) P-C4' energy: -64.771 flat angles C4'-P-C4' energy: -46.810 flat angles P-C4'-P energy: -27.659 tors. eta vs tors. theta energy: 18.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1101.430337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.430337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.430337 (E_RNA) where: Base-Base interactions energy: -754.257 where: short stacking energy: -330.730 Base-Backbone interact. energy: 0.217 local terms energy: -347.390421 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -67.937 flat angles C4'-P-C4' energy: -72.463 flat angles P-C4'-P energy: -59.499 tors. eta vs tors. theta energy: -86.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1062.050682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.050682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.050682 (E_RNA) where: Base-Base interactions energy: -696.828 where: short stacking energy: -345.379 Base-Backbone interact. energy: -2.932 local terms energy: -362.290874 where: bonds (distance) C4'-P energy: -71.306 bonds (distance) P-C4' energy: -66.511 flat angles C4'-P-C4' energy: -78.285 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -96.674 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: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -976.287585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.287585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.287585 (E_RNA) where: Base-Base interactions energy: -647.355 where: short stacking energy: -304.541 Base-Backbone interact. energy: -1.303 local terms energy: -327.629178 where: bonds (distance) C4'-P energy: -58.228 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -68.799 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: -82.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -954.547678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.547678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.547678 (E_RNA) where: Base-Base interactions energy: -614.455 where: short stacking energy: -296.829 Base-Backbone interact. energy: 0.310 local terms energy: -340.402876 where: bonds (distance) C4'-P energy: -65.515 bonds (distance) P-C4' energy: -71.109 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -83.971 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: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -918.772172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.772172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.772172 (E_RNA) where: Base-Base interactions energy: -607.634 where: short stacking energy: -281.055 Base-Backbone interact. energy: -1.583 local terms energy: -309.555873 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -57.331 flat angles C4'-P-C4' energy: -70.546 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -76.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -858.726866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.726866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.726866 (E_RNA) where: Base-Base interactions energy: -560.843 where: short stacking energy: -242.353 Base-Backbone interact. energy: -1.397 local terms energy: -296.487068 where: bonds (distance) C4'-P energy: -65.221 bonds (distance) P-C4' energy: -61.934 flat angles C4'-P-C4' energy: -59.536 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -65.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -707.608315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.608315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.608315 (E_RNA) where: Base-Base interactions energy: -450.687 where: short stacking energy: -211.436 Base-Backbone interact. energy: 1.629 local terms energy: -258.550389 where: bonds (distance) C4'-P energy: -60.252 bonds (distance) P-C4' energy: -48.448 flat angles C4'-P-C4' energy: -68.262 flat angles P-C4'-P energy: -38.947 tors. eta vs tors. theta energy: -42.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -514.538320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.538320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.538320 (E_RNA) where: Base-Base interactions energy: -266.408 where: short stacking energy: -133.689 Base-Backbone interact. energy: -0.525 local terms energy: -247.605502 where: bonds (distance) C4'-P energy: -54.429 bonds (distance) P-C4' energy: -60.283 flat angles C4'-P-C4' energy: -61.211 flat angles P-C4'-P energy: -48.820 tors. eta vs tors. theta energy: -22.863 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: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -343.972642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.972642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.972642 (E_RNA) where: Base-Base interactions energy: -157.755 where: short stacking energy: -91.122 Base-Backbone interact. energy: -1.201 local terms energy: -185.017161 where: bonds (distance) C4'-P energy: -51.691 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -47.194 flat angles P-C4'-P energy: -33.581 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: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -304.307977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.307977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.307977 (E_RNA) where: Base-Base interactions energy: -99.898 where: short stacking energy: -94.923 Base-Backbone interact. energy: 1.384 local terms energy: -205.793487 where: bonds (distance) C4'-P energy: -50.908 bonds (distance) P-C4' energy: -69.025 flat angles C4'-P-C4' energy: -49.390 flat angles P-C4'-P energy: -35.485 tors. eta vs tors. theta energy: -0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1119.454096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.454096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.454096 (E_RNA) where: Base-Base interactions energy: -745.907 where: short stacking energy: -321.555 Base-Backbone interact. energy: -1.881 local terms energy: -371.665554 where: bonds (distance) C4'-P energy: -69.000 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -84.492 flat angles P-C4'-P energy: -53.788 tors. eta vs tors. theta energy: -95.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1086.459010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.459010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.459010 (E_RNA) where: Base-Base interactions energy: -720.231 where: short stacking energy: -329.866 Base-Backbone interact. energy: -0.564 local terms energy: -365.663788 where: bonds (distance) C4'-P energy: -76.699 bonds (distance) P-C4' energy: -65.066 flat angles C4'-P-C4' energy: -74.531 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -92.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1006.527948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.527948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.527948 (E_RNA) where: Base-Base interactions energy: -667.021 where: short stacking energy: -301.364 Base-Backbone interact. energy: -2.198 local terms energy: -337.308332 where: bonds (distance) C4'-P energy: -68.446 bonds (distance) P-C4' energy: -66.373 flat angles C4'-P-C4' energy: -69.868 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -84.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -960.336697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.336697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.336697 (E_RNA) where: Base-Base interactions energy: -635.092 where: short stacking energy: -293.891 Base-Backbone interact. energy: -0.855 local terms energy: -324.389366 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -67.976 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: -84.158 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: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -924.998599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.998599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.998599 (E_RNA) where: Base-Base interactions energy: -596.812 where: short stacking energy: -281.764 Base-Backbone interact. energy: -0.165 local terms energy: -328.021445 where: bonds (distance) C4'-P energy: -63.069 bonds (distance) P-C4' energy: -66.325 flat angles C4'-P-C4' energy: -68.646 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -83.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -883.229392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.229392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.229392 (E_RNA) where: Base-Base interactions energy: -573.046 where: short stacking energy: -276.553 Base-Backbone interact. energy: 2.697 local terms energy: -312.880770 where: bonds (distance) C4'-P energy: -60.042 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -71.491 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -75.605 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: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -702.871162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.871162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.871162 (E_RNA) where: Base-Base interactions energy: -436.231 where: short stacking energy: -215.618 Base-Backbone interact. energy: -1.010 local terms energy: -265.630197 where: bonds (distance) C4'-P energy: -47.089 bonds (distance) P-C4' energy: -60.152 flat angles C4'-P-C4' energy: -75.312 flat angles P-C4'-P energy: -36.886 tors. eta vs tors. theta energy: -46.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -516.269425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.269425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.269425 (E_RNA) where: Base-Base interactions energy: -291.164 where: short stacking energy: -156.276 Base-Backbone interact. energy: -0.343 local terms energy: -224.762522 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -52.366 flat angles P-C4'-P energy: -22.489 tors. eta vs tors. theta energy: -31.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -315.734453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.734453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.734453 (E_RNA) where: Base-Base interactions energy: -127.064 where: short stacking energy: -98.965 Base-Backbone interact. energy: -0.007 local terms energy: -188.663316 where: bonds (distance) C4'-P energy: -60.397 bonds (distance) P-C4' energy: -54.925 flat angles C4'-P-C4' energy: -39.863 flat angles P-C4'-P energy: -31.128 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -309.977755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.977755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.977755 (E_RNA) where: Base-Base interactions energy: -115.222 where: short stacking energy: -84.174 Base-Backbone interact. energy: 0.310 local terms energy: -195.066026 where: bonds (distance) C4'-P energy: -50.001 bonds (distance) P-C4' energy: -59.598 flat angles C4'-P-C4' energy: -52.400 flat angles P-C4'-P energy: -37.509 tors. eta vs tors. theta energy: 4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1132.650171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.650171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.650171 (E_RNA) where: Base-Base interactions energy: -761.477 where: short stacking energy: -355.573 Base-Backbone interact. energy: 0.232 local terms energy: -371.404681 where: bonds (distance) C4'-P energy: -68.565 bonds (distance) P-C4' energy: -70.700 flat angles C4'-P-C4' energy: -75.365 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -101.017 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: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1091.552681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.552681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.552681 (E_RNA) where: Base-Base interactions energy: -735.707 where: short stacking energy: -309.594 Base-Backbone interact. energy: -0.376 local terms energy: -355.469910 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -81.975 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -88.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1029.557894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.557894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.557894 (E_RNA) where: Base-Base interactions energy: -677.767 where: short stacking energy: -316.350 Base-Backbone interact. energy: -1.818 local terms energy: -349.973223 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -67.663 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -91.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -979.107782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.107782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.107782 (E_RNA) where: Base-Base interactions energy: -654.248 where: short stacking energy: -309.155 Base-Backbone interact. energy: -1.013 local terms energy: -323.846657 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -64.826 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -44.131 tors. eta vs tors. theta energy: -84.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -916.255119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.255119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.255119 (E_RNA) where: Base-Base interactions energy: -596.675 where: short stacking energy: -265.762 Base-Backbone interact. energy: -1.126 local terms energy: -318.454813 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -70.614 flat angles C4'-P-C4' energy: -70.749 flat angles P-C4'-P energy: -49.204 tors. eta vs tors. theta energy: -67.531 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: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -852.921286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.921286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.921286 (E_RNA) where: Base-Base interactions energy: -578.832 where: short stacking energy: -259.976 Base-Backbone interact. energy: 2.653 local terms energy: -276.741652 where: bonds (distance) C4'-P energy: -43.913 bonds (distance) P-C4' energy: -64.192 flat angles C4'-P-C4' energy: -60.796 flat angles P-C4'-P energy: -36.220 tors. eta vs tors. theta energy: -71.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -680.492974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.492974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.492974 (E_RNA) where: Base-Base interactions energy: -424.079 where: short stacking energy: -185.693 Base-Backbone interact. energy: 2.575 local terms energy: -258.989215 where: bonds (distance) C4'-P energy: -61.101 bonds (distance) P-C4' energy: -62.607 flat angles C4'-P-C4' energy: -49.338 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -39.278 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: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -518.858441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.858441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.858441 (E_RNA) where: Base-Base interactions energy: -268.055 where: short stacking energy: -143.859 Base-Backbone interact. energy: -1.649 local terms energy: -249.154904 where: bonds (distance) C4'-P energy: -49.262 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -39.863 tors. eta vs tors. theta energy: -29.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -302.131689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.131689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.131689 (E_RNA) where: Base-Base interactions energy: -105.979 where: short stacking energy: -88.842 Base-Backbone interact. energy: -0.232 local terms energy: -195.919937 where: bonds (distance) C4'-P energy: -65.964 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -56.021 flat angles P-C4'-P energy: -22.730 tors. eta vs tors. theta energy: 8.913 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: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -283.370411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.370411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.370411 (E_RNA) where: Base-Base interactions energy: -96.951 where: short stacking energy: -88.521 Base-Backbone interact. energy: 0.165 local terms energy: -186.584497 where: bonds (distance) C4'-P energy: -60.495 bonds (distance) P-C4' energy: -58.596 flat angles C4'-P-C4' energy: -44.182 flat angles P-C4'-P energy: -17.810 tors. eta vs tors. theta energy: -5.501 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: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1107.801251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.801251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.801251 (E_RNA) where: Base-Base interactions energy: -748.259 where: short stacking energy: -335.823 Base-Backbone interact. energy: -0.762 local terms energy: -358.780321 where: bonds (distance) C4'-P energy: -60.721 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -98.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1089.293974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.293974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.293974 (E_RNA) where: Base-Base interactions energy: -732.214 where: short stacking energy: -306.248 Base-Backbone interact. energy: -1.863 local terms energy: -355.217024 where: bonds (distance) C4'-P energy: -68.709 bonds (distance) P-C4' energy: -69.284 flat angles C4'-P-C4' energy: -77.340 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -90.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -994.107891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.107891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.107891 (E_RNA) where: Base-Base interactions energy: -650.387 where: short stacking energy: -309.382 Base-Backbone interact. energy: -2.461 local terms energy: -341.259703 where: bonds (distance) C4'-P energy: -51.334 bonds (distance) P-C4' energy: -81.424 flat angles C4'-P-C4' energy: -75.127 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -89.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -960.788581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.788581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.788581 (E_RNA) where: Base-Base interactions energy: -637.399 where: short stacking energy: -287.857 Base-Backbone interact. energy: -0.150 local terms energy: -323.240015 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -79.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -923.729884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.729884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.729884 (E_RNA) where: Base-Base interactions energy: -605.905 where: short stacking energy: -292.209 Base-Backbone interact. energy: 0.902 local terms energy: -318.726865 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -64.476 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -35.412 tors. eta vs tors. theta energy: -80.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -811.052796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.052796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.052796 (E_RNA) where: Base-Base interactions energy: -536.665 where: short stacking energy: -246.604 Base-Backbone interact. energy: -1.895 local terms energy: -272.492416 where: bonds (distance) C4'-P energy: -61.790 bonds (distance) P-C4' energy: -57.620 flat angles C4'-P-C4' energy: -63.526 flat angles P-C4'-P energy: -38.714 tors. eta vs tors. theta energy: -50.842 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: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -675.186691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.186691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.186691 (E_RNA) where: Base-Base interactions energy: -404.810 where: short stacking energy: -188.455 Base-Backbone interact. energy: -0.448 local terms energy: -269.929116 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -65.776 flat angles C4'-P-C4' energy: -64.585 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -45.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -528.140490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.140490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.140490 (E_RNA) where: Base-Base interactions energy: -264.198 where: short stacking energy: -139.119 Base-Backbone interact. energy: -0.959 local terms energy: -262.983979 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -63.155 flat angles P-C4'-P energy: -46.440 tors. eta vs tors. theta energy: -23.233 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: 1 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -320.723064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.723064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.723064 (E_RNA) where: Base-Base interactions energy: -104.299 where: short stacking energy: -101.781 Base-Backbone interact. energy: -0.924 local terms energy: -215.500822 where: bonds (distance) C4'-P energy: -67.523 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -45.467 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: 3.837 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: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -293.169612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.169612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.169612 (E_RNA) where: Base-Base interactions energy: -117.264 where: short stacking energy: -86.457 Base-Backbone interact. energy: 0.608 local terms energy: -176.513901 where: bonds (distance) C4'-P energy: -47.615 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -46.019 flat angles P-C4'-P energy: -25.107 tors. eta vs tors. theta energy: 5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1122.430464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.430464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.430464 (E_RNA) where: Base-Base interactions energy: -758.630 where: short stacking energy: -328.017 Base-Backbone interact. energy: -2.690 local terms energy: -361.110210 where: bonds (distance) C4'-P energy: -68.457 bonds (distance) P-C4' energy: -67.148 flat angles C4'-P-C4' energy: -77.322 flat angles P-C4'-P energy: -47.712 tors. eta vs tors. theta energy: -100.470 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1092.382490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.382490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.382490 (E_RNA) where: Base-Base interactions energy: -729.100 where: short stacking energy: -328.193 Base-Backbone interact. energy: 0.984 local terms energy: -364.266459 where: bonds (distance) C4'-P energy: -70.631 bonds (distance) P-C4' energy: -73.854 flat angles C4'-P-C4' energy: -70.686 flat angles P-C4'-P energy: -54.030 tors. eta vs tors. theta energy: -95.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1000.185997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.185997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.185997 (E_RNA) where: Base-Base interactions energy: -645.809 where: short stacking energy: -332.673 Base-Backbone interact. energy: -1.785 local terms energy: -352.592260 where: bonds (distance) C4'-P energy: -67.217 bonds (distance) P-C4' energy: -70.796 flat angles C4'-P-C4' energy: -78.139 flat angles P-C4'-P energy: -48.896 tors. eta vs tors. theta energy: -87.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -932.809535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.809535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.809535 (E_RNA) where: Base-Base interactions energy: -620.634 where: short stacking energy: -298.004 Base-Backbone interact. energy: -1.046 local terms energy: -311.128780 where: bonds (distance) C4'-P energy: -58.566 bonds (distance) P-C4' energy: -57.888 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -83.325 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: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -938.761985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.761985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.761985 (E_RNA) where: Base-Base interactions energy: -603.014 where: short stacking energy: -270.223 Base-Backbone interact. energy: -0.452 local terms energy: -335.296632 where: bonds (distance) C4'-P energy: -68.322 bonds (distance) P-C4' energy: -73.801 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -69.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -812.033598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.033598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.033598 (E_RNA) where: Base-Base interactions energy: -529.972 where: short stacking energy: -244.064 Base-Backbone interact. energy: -0.591 local terms energy: -281.470486 where: bonds (distance) C4'-P energy: -58.422 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -63.176 flat angles P-C4'-P energy: -46.389 tors. eta vs tors. theta energy: -56.422 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: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -666.851102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.851102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.851102 (E_RNA) where: Base-Base interactions energy: -398.723 where: short stacking energy: -183.259 Base-Backbone interact. energy: -1.180 local terms energy: -266.947902 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -59.249 flat angles C4'-P-C4' energy: -65.477 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -41.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -462.630937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.630937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.630937 (E_RNA) where: Base-Base interactions energy: -230.194 where: short stacking energy: -114.471 Base-Backbone interact. energy: -0.664 local terms energy: -231.773036 where: bonds (distance) C4'-P energy: -66.641 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -60.033 flat angles P-C4'-P energy: -28.314 tors. eta vs tors. theta energy: -11.350 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: 9, replica: 1 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -317.487274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.487274 (E_RNA) where: Base-Base interactions energy: -133.042 where: short stacking energy: -117.859 Base-Backbone interact. energy: 0.015 local terms energy: -184.460426 where: bonds (distance) C4'-P energy: -47.508 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -45.663 flat angles P-C4'-P energy: -21.999 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -284.334528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.334528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.334528 (E_RNA) where: Base-Base interactions energy: -103.310 where: short stacking energy: -89.571 Base-Backbone interact. energy: 0.640 local terms energy: -181.664856 where: bonds (distance) C4'-P energy: -50.744 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -53.369 flat angles P-C4'-P energy: -25.629 tors. eta vs tors. theta energy: 10.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1134.657009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.657009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.657009 (E_RNA) where: Base-Base interactions energy: -756.903 where: short stacking energy: -325.735 Base-Backbone interact. energy: -2.384 local terms energy: -375.370103 where: bonds (distance) C4'-P energy: -68.378 bonds (distance) P-C4' energy: -75.376 flat angles C4'-P-C4' energy: -81.403 flat angles P-C4'-P energy: -46.809 tors. eta vs tors. theta energy: -103.404 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: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1098.937597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.937597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.937597 (E_RNA) where: Base-Base interactions energy: -724.397 where: short stacking energy: -331.544 Base-Backbone interact. energy: -1.682 local terms energy: -372.858856 where: bonds (distance) C4'-P energy: -72.769 bonds (distance) P-C4' energy: -66.126 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -51.725 tors. eta vs tors. theta energy: -100.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1002.317495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.317495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.317495 (E_RNA) where: Base-Base interactions energy: -668.754 where: short stacking energy: -316.101 Base-Backbone interact. energy: -1.459 local terms energy: -332.104898 where: bonds (distance) C4'-P energy: -57.467 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -78.898 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -85.620 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: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -942.775871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.775871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.775871 (E_RNA) where: Base-Base interactions energy: -633.141 where: short stacking energy: -275.593 Base-Backbone interact. energy: -0.948 local terms energy: -308.687045 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -64.963 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -73.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -978.116880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.116880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.116880 (E_RNA) where: Base-Base interactions energy: -665.991 where: short stacking energy: -300.783 Base-Backbone interact. energy: -2.202 local terms energy: -309.924145 where: bonds (distance) C4'-P energy: -52.988 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -66.659 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -89.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -850.696029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.696029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.696029 (E_RNA) where: Base-Base interactions energy: -554.609 where: short stacking energy: -254.114 Base-Backbone interact. energy: -1.185 local terms energy: -294.901344 where: bonds (distance) C4'-P energy: -53.795 bonds (distance) P-C4' energy: -63.771 flat angles C4'-P-C4' energy: -68.441 flat angles P-C4'-P energy: -43.560 tors. eta vs tors. theta energy: -65.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -675.578078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.578078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.578078 (E_RNA) where: Base-Base interactions energy: -421.251 where: short stacking energy: -224.500 Base-Backbone interact. energy: 0.587 local terms energy: -254.913336 where: bonds (distance) C4'-P energy: -39.469 bonds (distance) P-C4' energy: -72.762 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -40.706 tors. eta vs tors. theta energy: -43.662 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: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -469.372861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.372861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.372861 (E_RNA) where: Base-Base interactions energy: -245.635 where: short stacking energy: -114.994 Base-Backbone interact. energy: -1.794 local terms energy: -221.943424 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -56.609 flat angles C4'-P-C4' energy: -50.373 flat angles P-C4'-P energy: -33.629 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -327.850823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.850823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.850823 (E_RNA) where: Base-Base interactions energy: -125.814 where: short stacking energy: -108.659 Base-Backbone interact. energy: 1.108 local terms energy: -203.144427 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -52.365 flat angles C4'-P-C4' energy: -65.920 flat angles P-C4'-P energy: -27.946 tors. eta vs tors. theta energy: -3.842 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: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -275.606771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.606771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.606771 (E_RNA) where: Base-Base interactions energy: -72.657 where: short stacking energy: -65.051 Base-Backbone interact. energy: -0.932 local terms energy: -202.017699 where: bonds (distance) C4'-P energy: -62.868 bonds (distance) P-C4' energy: -65.947 flat angles C4'-P-C4' energy: -40.449 flat angles P-C4'-P energy: -36.345 tors. eta vs tors. theta energy: 3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1133.692886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.692886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.692886 (E_RNA) where: Base-Base interactions energy: -779.082 where: short stacking energy: -337.126 Base-Backbone interact. energy: -1.828 local terms energy: -352.783025 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -99.185 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: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1084.518759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.518759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.518759 (E_RNA) where: Base-Base interactions energy: -710.200 where: short stacking energy: -313.712 Base-Backbone interact. energy: -1.030 local terms energy: -373.288894 where: bonds (distance) C4'-P energy: -73.747 bonds (distance) P-C4' energy: -74.118 flat angles C4'-P-C4' energy: -71.965 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -98.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1015.001275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.001275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.001275 (E_RNA) where: Base-Base interactions energy: -679.939 where: short stacking energy: -299.445 Base-Backbone interact. energy: -0.971 local terms energy: -334.090979 where: bonds (distance) C4'-P energy: -59.019 bonds (distance) P-C4' energy: -79.292 flat angles C4'-P-C4' energy: -63.741 flat angles P-C4'-P energy: -43.008 tors. eta vs tors. theta energy: -89.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -947.006771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.006771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.006771 (E_RNA) where: Base-Base interactions energy: -616.961 where: short stacking energy: -308.154 Base-Backbone interact. energy: -1.683 local terms energy: -328.362393 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -53.999 flat angles C4'-P-C4' energy: -70.403 flat angles P-C4'-P energy: -45.698 tors. eta vs tors. theta energy: -87.914 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: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -966.276606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.276606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.276606 (E_RNA) where: Base-Base interactions energy: -638.122 where: short stacking energy: -303.001 Base-Backbone interact. energy: -0.977 local terms energy: -327.177813 where: bonds (distance) C4'-P energy: -66.314 bonds (distance) P-C4' energy: -65.416 flat angles C4'-P-C4' energy: -63.580 flat angles P-C4'-P energy: -35.617 tors. eta vs tors. theta energy: -96.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -818.471971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.471971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.471971 (E_RNA) where: Base-Base interactions energy: -528.534 where: short stacking energy: -240.367 Base-Backbone interact. energy: -2.615 local terms energy: -287.322544 where: bonds (distance) C4'-P energy: -55.788 bonds (distance) P-C4' energy: -71.969 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -36.531 tors. eta vs tors. theta energy: -58.582 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: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -680.809448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.809448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.809448 (E_RNA) where: Base-Base interactions energy: -421.326 where: short stacking energy: -203.413 Base-Backbone interact. energy: 0.567 local terms energy: -260.050132 where: bonds (distance) C4'-P energy: -65.712 bonds (distance) P-C4' energy: -49.727 flat angles C4'-P-C4' energy: -54.138 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -45.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -476.496243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.496243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.496243 (E_RNA) where: Base-Base interactions energy: -255.604 where: short stacking energy: -140.993 Base-Backbone interact. energy: -1.443 local terms energy: -219.448834 where: bonds (distance) C4'-P energy: -56.555 bonds (distance) P-C4' energy: -61.681 flat angles C4'-P-C4' energy: -60.913 flat angles P-C4'-P energy: -24.054 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: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -353.395138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.395138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.395138 (E_RNA) where: Base-Base interactions energy: -145.332 where: short stacking energy: -113.274 Base-Backbone interact. energy: -0.744 local terms energy: -207.319307 where: bonds (distance) C4'-P energy: -58.230 bonds (distance) P-C4' energy: -53.425 flat angles C4'-P-C4' energy: -50.499 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -296.759661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.759661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.759661 (E_RNA) where: Base-Base interactions energy: -110.069 where: short stacking energy: -92.914 Base-Backbone interact. energy: 0.333 local terms energy: -187.023314 where: bonds (distance) C4'-P energy: -42.452 bonds (distance) P-C4' energy: -66.391 flat angles C4'-P-C4' energy: -52.813 flat angles P-C4'-P energy: -33.364 tors. eta vs tors. theta energy: 7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1113.734905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.734905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.734905 (E_RNA) where: Base-Base interactions energy: -778.141 where: short stacking energy: -299.006 Base-Backbone interact. energy: -1.682 local terms energy: -333.911913 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -70.922 flat angles C4'-P-C4' energy: -65.499 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -91.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1078.582797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.582797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.582797 (E_RNA) where: Base-Base interactions energy: -716.558 where: short stacking energy: -325.564 Base-Backbone interact. energy: -2.728 local terms energy: -359.296590 where: bonds (distance) C4'-P energy: -65.800 bonds (distance) P-C4' energy: -66.258 flat angles C4'-P-C4' energy: -80.979 flat angles P-C4'-P energy: -51.659 tors. eta vs tors. theta energy: -94.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1022.369125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.369125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.369125 (E_RNA) where: Base-Base interactions energy: -673.928 where: short stacking energy: -320.784 Base-Backbone interact. energy: -1.769 local terms energy: -346.672831 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -79.048 flat angles P-C4'-P energy: -44.592 tors. eta vs tors. theta energy: -98.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -993.868770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.868770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.868770 (E_RNA) where: Base-Base interactions energy: -666.273 where: short stacking energy: -300.898 Base-Backbone interact. energy: -0.782 local terms energy: -326.813649 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -62.579 flat angles C4'-P-C4' energy: -72.936 flat angles P-C4'-P energy: -42.809 tors. eta vs tors. theta energy: -83.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -961.734985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.734985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.734985 (E_RNA) where: Base-Base interactions energy: -645.162 where: short stacking energy: -286.027 Base-Backbone interact. energy: -0.659 local terms energy: -315.914369 where: bonds (distance) C4'-P energy: -66.468 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -64.029 flat angles P-C4'-P energy: -34.017 tors. eta vs tors. theta energy: -84.218 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: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -820.658234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.658234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.658234 (E_RNA) where: Base-Base interactions energy: -518.556 where: short stacking energy: -242.757 Base-Backbone interact. energy: -1.732 local terms energy: -300.370391 where: bonds (distance) C4'-P energy: -73.440 bonds (distance) P-C4' energy: -66.504 flat angles C4'-P-C4' energy: -59.381 flat angles P-C4'-P energy: -28.309 tors. eta vs tors. theta energy: -72.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -701.659354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.659354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.659354 (E_RNA) where: Base-Base interactions energy: -445.244 where: short stacking energy: -213.100 Base-Backbone interact. energy: -0.101 local terms energy: -256.314706 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -57.869 flat angles C4'-P-C4' energy: -56.698 flat angles P-C4'-P energy: -36.828 tors. eta vs tors. theta energy: -43.559 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: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -500.719471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.719471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.719471 (E_RNA) where: Base-Base interactions energy: -267.007 where: short stacking energy: -156.987 Base-Backbone interact. energy: -2.376 local terms energy: -231.336662 where: bonds (distance) C4'-P energy: -47.154 bonds (distance) P-C4' energy: -65.116 flat angles C4'-P-C4' energy: -52.117 flat angles P-C4'-P energy: -33.725 tors. eta vs tors. theta energy: -33.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -305.183283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.183283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.183283 (E_RNA) where: Base-Base interactions energy: -111.034 where: short stacking energy: -87.239 Base-Backbone interact. energy: -1.458 local terms energy: -192.691187 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -55.807 flat angles C4'-P-C4' energy: -49.775 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: 4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -305.388666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.388666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.388666 (E_RNA) where: Base-Base interactions energy: -102.060 where: short stacking energy: -89.998 Base-Backbone interact. energy: -0.584 local terms energy: -202.744509 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -58.490 flat angles C4'-P-C4' energy: -45.480 flat angles P-C4'-P energy: -35.957 tors. eta vs tors. theta energy: 5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1125.588541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.588541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.588541 (E_RNA) where: Base-Base interactions energy: -781.801 where: short stacking energy: -328.231 Base-Backbone interact. energy: -1.379 local terms energy: -342.408380 where: bonds (distance) C4'-P energy: -69.147 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -70.380 flat angles P-C4'-P energy: -56.353 tors. eta vs tors. theta energy: -86.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1068.340234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.340234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.340234 (E_RNA) where: Base-Base interactions energy: -718.271 where: short stacking energy: -340.222 Base-Backbone interact. energy: -1.409 local terms energy: -348.659920 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -74.061 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -94.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1015.709692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.709692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.709692 (E_RNA) where: Base-Base interactions energy: -667.283 where: short stacking energy: -329.324 Base-Backbone interact. energy: -0.710 local terms energy: -347.717127 where: bonds (distance) C4'-P energy: -61.468 bonds (distance) P-C4' energy: -74.742 flat angles C4'-P-C4' energy: -75.359 flat angles P-C4'-P energy: -48.739 tors. eta vs tors. theta energy: -87.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -973.121909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.121909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.121909 (E_RNA) where: Base-Base interactions energy: -639.986 where: short stacking energy: -297.101 Base-Backbone interact. energy: 2.490 local terms energy: -335.625747 where: bonds (distance) C4'-P energy: -68.581 bonds (distance) P-C4' energy: -70.549 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -46.781 tors. eta vs tors. theta energy: -76.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -948.867412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.867412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.867412 (E_RNA) where: Base-Base interactions energy: -626.316 where: short stacking energy: -285.520 Base-Backbone interact. energy: 3.541 local terms energy: -326.092997 where: bonds (distance) C4'-P energy: -63.635 bonds (distance) P-C4' energy: -62.809 flat angles C4'-P-C4' energy: -74.048 flat angles P-C4'-P energy: -36.591 tors. eta vs tors. theta energy: -89.010 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: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -839.673878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.673878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.673878 (E_RNA) where: Base-Base interactions energy: -539.928 where: short stacking energy: -254.637 Base-Backbone interact. energy: -1.050 local terms energy: -298.695459 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -52.721 flat angles C4'-P-C4' energy: -74.044 flat angles P-C4'-P energy: -48.580 tors. eta vs tors. theta energy: -62.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -680.446433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.446433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.446433 (E_RNA) where: Base-Base interactions energy: -429.603 where: short stacking energy: -198.697 Base-Backbone interact. energy: -0.016 local terms energy: -250.827078 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -55.574 flat angles C4'-P-C4' energy: -57.351 flat angles P-C4'-P energy: -27.608 tors. eta vs tors. theta energy: -48.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -480.131717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.131717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.131717 (E_RNA) where: Base-Base interactions energy: -253.920 where: short stacking energy: -138.482 Base-Backbone interact. energy: -0.111 local terms energy: -226.100999 where: bonds (distance) C4'-P energy: -62.457 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -57.506 flat angles P-C4'-P energy: -27.902 tors. eta vs tors. theta energy: -14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -314.546613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.546613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.546613 (E_RNA) where: Base-Base interactions energy: -116.657 where: short stacking energy: -101.438 Base-Backbone interact. energy: 4.582 local terms energy: -202.471515 where: bonds (distance) C4'-P energy: -66.742 bonds (distance) P-C4' energy: -42.518 flat angles C4'-P-C4' energy: -53.368 flat angles P-C4'-P energy: -35.553 tors. eta vs tors. theta energy: -4.291 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: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -282.478096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.478096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.478096 (E_RNA) where: Base-Base interactions energy: -105.173 where: short stacking energy: -74.578 Base-Backbone interact. energy: 2.097 local terms energy: -179.402689 where: bonds (distance) C4'-P energy: -47.883 bonds (distance) P-C4' energy: -65.663 flat angles C4'-P-C4' energy: -48.405 flat angles P-C4'-P energy: -23.337 tors. eta vs tors. theta energy: 5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1118.295953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.295953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.295953 (E_RNA) where: Base-Base interactions energy: -753.004 where: short stacking energy: -339.931 Base-Backbone interact. energy: -2.380 local terms energy: -362.911803 where: bonds (distance) C4'-P energy: -73.684 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -77.599 flat angles P-C4'-P energy: -46.472 tors. eta vs tors. theta energy: -96.077 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: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1073.694560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.694560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.694560 (E_RNA) where: Base-Base interactions energy: -722.806 where: short stacking energy: -343.538 Base-Backbone interact. energy: 3.509 local terms energy: -354.397651 where: bonds (distance) C4'-P energy: -67.784 bonds (distance) P-C4' energy: -77.308 flat angles C4'-P-C4' energy: -67.136 flat angles P-C4'-P energy: -46.104 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: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1037.272450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.272450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.272450 (E_RNA) where: Base-Base interactions energy: -666.281 where: short stacking energy: -307.488 Base-Backbone interact. energy: -0.786 local terms energy: -370.205381 where: bonds (distance) C4'-P energy: -79.836 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -75.573 flat angles P-C4'-P energy: -49.145 tors. eta vs tors. theta energy: -97.922 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: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1005.900964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.900964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.900964 (E_RNA) where: Base-Base interactions energy: -675.918 where: short stacking energy: -292.847 Base-Backbone interact. energy: -0.214 local terms energy: -329.769814 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -58.092 flat angles C4'-P-C4' energy: -74.883 flat angles P-C4'-P energy: -40.736 tors. eta vs tors. theta energy: -91.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -881.045862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.045862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.045862 (E_RNA) where: Base-Base interactions energy: -572.469 where: short stacking energy: -264.746 Base-Backbone interact. energy: -1.158 local terms energy: -307.418607 where: bonds (distance) C4'-P energy: -68.847 bonds (distance) P-C4' energy: -59.692 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -38.289 tors. eta vs tors. theta energy: -74.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -855.195629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.195629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.195629 (E_RNA) where: Base-Base interactions energy: -542.112 where: short stacking energy: -258.859 Base-Backbone interact. energy: -1.377 local terms energy: -311.706825 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -65.879 flat angles C4'-P-C4' energy: -73.476 flat angles P-C4'-P energy: -49.350 tors. eta vs tors. theta energy: -64.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -669.508978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.508978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.508978 (E_RNA) where: Base-Base interactions energy: -408.213 where: short stacking energy: -188.934 Base-Backbone interact. energy: -1.955 local terms energy: -259.340358 where: bonds (distance) C4'-P energy: -58.015 bonds (distance) P-C4' energy: -70.497 flat angles C4'-P-C4' energy: -62.920 flat angles P-C4'-P energy: -31.598 tors. eta vs tors. theta energy: -36.310 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: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -471.805472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.805472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.805472 (E_RNA) where: Base-Base interactions energy: -249.283 where: short stacking energy: -146.613 Base-Backbone interact. energy: -0.724 local terms energy: -221.798668 where: bonds (distance) C4'-P energy: -67.194 bonds (distance) P-C4' energy: -44.954 flat angles C4'-P-C4' energy: -59.657 flat angles P-C4'-P energy: -34.376 tors. eta vs tors. theta energy: -15.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -312.955053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.955053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.955053 (E_RNA) where: Base-Base interactions energy: -110.478 where: short stacking energy: -70.321 Base-Backbone interact. energy: -1.590 local terms energy: -200.886737 where: bonds (distance) C4'-P energy: -66.783 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -51.858 flat angles P-C4'-P energy: -27.210 tors. eta vs tors. theta energy: 13.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -290.193625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.193625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.193625 (E_RNA) where: Base-Base interactions energy: -105.303 where: short stacking energy: -61.190 Base-Backbone interact. energy: 0.603 local terms energy: -185.493680 where: bonds (distance) C4'-P energy: -57.802 bonds (distance) P-C4' energy: -57.680 flat angles C4'-P-C4' energy: -60.924 flat angles P-C4'-P energy: -34.002 tors. eta vs tors. theta energy: 24.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1130.959971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.959971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.959971 (E_RNA) where: Base-Base interactions energy: -785.447 where: short stacking energy: -322.442 Base-Backbone interact. energy: 0.639 local terms energy: -346.152242 where: bonds (distance) C4'-P energy: -69.976 bonds (distance) P-C4' energy: -70.405 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -87.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1069.148633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.148633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.148633 (E_RNA) where: Base-Base interactions energy: -719.531 where: short stacking energy: -316.992 Base-Backbone interact. energy: -3.285 local terms energy: -346.332559 where: bonds (distance) C4'-P energy: -69.788 bonds (distance) P-C4' energy: -67.198 flat angles C4'-P-C4' energy: -70.622 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -94.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1024.559798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.559798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.559798 (E_RNA) where: Base-Base interactions energy: -685.515 where: short stacking energy: -307.943 Base-Backbone interact. energy: -0.065 local terms energy: -338.980061 where: bonds (distance) C4'-P energy: -58.152 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -73.771 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -90.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -998.851966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.851966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.851966 (E_RNA) where: Base-Base interactions energy: -653.538 where: short stacking energy: -305.408 Base-Backbone interact. energy: 0.451 local terms energy: -345.765365 where: bonds (distance) C4'-P energy: -64.471 bonds (distance) P-C4' energy: -62.764 flat angles C4'-P-C4' energy: -73.478 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -92.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -923.723008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.723008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.723008 (E_RNA) where: Base-Base interactions energy: -598.559 where: short stacking energy: -284.049 Base-Backbone interact. energy: 0.034 local terms energy: -325.198032 where: bonds (distance) C4'-P energy: -67.636 bonds (distance) P-C4' energy: -65.962 flat angles C4'-P-C4' energy: -65.403 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -71.736 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: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -840.253030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.253030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.253030 (E_RNA) where: Base-Base interactions energy: -516.284 where: short stacking energy: -231.374 Base-Backbone interact. energy: 0.309 local terms energy: -324.277922 where: bonds (distance) C4'-P energy: -71.326 bonds (distance) P-C4' energy: -80.889 flat angles C4'-P-C4' energy: -67.287 flat angles P-C4'-P energy: -42.027 tors. eta vs tors. theta energy: -62.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -634.590715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.590715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.590715 (E_RNA) where: Base-Base interactions energy: -375.702 where: short stacking energy: -200.885 Base-Backbone interact. energy: 0.600 local terms energy: -259.488748 where: bonds (distance) C4'-P energy: -63.227 bonds (distance) P-C4' energy: -59.073 flat angles C4'-P-C4' energy: -63.559 flat angles P-C4'-P energy: -37.842 tors. eta vs tors. theta energy: -35.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -508.426251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.426251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.426251 (E_RNA) where: Base-Base interactions energy: -285.708 where: short stacking energy: -155.523 Base-Backbone interact. energy: 1.436 local terms energy: -224.154366 where: bonds (distance) C4'-P energy: -63.604 bonds (distance) P-C4' energy: -46.810 flat angles C4'-P-C4' energy: -54.052 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: -26.027 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: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -328.458538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.458538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.458538 (E_RNA) where: Base-Base interactions energy: -106.611 where: short stacking energy: -98.122 Base-Backbone interact. energy: 1.937 local terms energy: -223.783942 where: bonds (distance) C4'-P energy: -56.346 bonds (distance) P-C4' energy: -67.200 flat angles C4'-P-C4' energy: -63.164 flat angles P-C4'-P energy: -37.951 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: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -299.385992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.385992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.385992 (E_RNA) where: Base-Base interactions energy: -100.710 where: short stacking energy: -89.104 Base-Backbone interact. energy: -0.067 local terms energy: -198.609340 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -58.640 flat angles C4'-P-C4' energy: -53.921 flat angles P-C4'-P energy: -32.297 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: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1118.436890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.436890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.436890 (E_RNA) where: Base-Base interactions energy: -766.667 where: short stacking energy: -319.983 Base-Backbone interact. energy: -2.627 local terms energy: -349.142793 where: bonds (distance) C4'-P energy: -77.673 bonds (distance) P-C4' energy: -63.315 flat angles C4'-P-C4' energy: -80.200 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: -80.344 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: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1081.509731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.509731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.509731 (E_RNA) where: Base-Base interactions energy: -709.943 where: short stacking energy: -317.412 Base-Backbone interact. energy: -1.218 local terms energy: -370.348499 where: bonds (distance) C4'-P energy: -75.376 bonds (distance) P-C4' energy: -74.446 flat angles C4'-P-C4' energy: -73.114 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -92.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -998.916836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.916836 (E_RNA) where: Base-Base interactions energy: -659.038 where: short stacking energy: -285.004 Base-Backbone interact. energy: -1.428 local terms energy: -338.450755 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -75.192 flat angles P-C4'-P energy: -47.884 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: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -964.698275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.698275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.698275 (E_RNA) where: Base-Base interactions energy: -641.136 where: short stacking energy: -300.944 Base-Backbone interact. energy: -0.430 local terms energy: -323.132082 where: bonds (distance) C4'-P energy: -72.222 bonds (distance) P-C4' energy: -44.794 flat angles C4'-P-C4' energy: -66.932 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -82.252 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: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -933.730698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.730698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.730698 (E_RNA) where: Base-Base interactions energy: -601.302 where: short stacking energy: -281.037 Base-Backbone interact. energy: 6.471 local terms energy: -338.899785 where: bonds (distance) C4'-P energy: -68.231 bonds (distance) P-C4' energy: -64.575 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -50.558 tors. eta vs tors. theta energy: -88.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -858.245552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.245552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.245552 (E_RNA) where: Base-Base interactions energy: -564.057 where: short stacking energy: -246.118 Base-Backbone interact. energy: -1.168 local terms energy: -293.021021 where: bonds (distance) C4'-P energy: -49.618 bonds (distance) P-C4' energy: -68.915 flat angles C4'-P-C4' energy: -69.588 flat angles P-C4'-P energy: -42.998 tors. eta vs tors. theta energy: -61.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -683.131943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.131943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.131943 (E_RNA) where: Base-Base interactions energy: -425.489 where: short stacking energy: -211.865 Base-Backbone interact. energy: 5.475 local terms energy: -263.117790 where: bonds (distance) C4'-P energy: -58.110 bonds (distance) P-C4' energy: -60.527 flat angles C4'-P-C4' energy: -61.747 flat angles P-C4'-P energy: -33.894 tors. eta vs tors. theta energy: -48.840 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: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -510.744941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.744941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.744941 (E_RNA) where: Base-Base interactions energy: -298.800 where: short stacking energy: -167.439 Base-Backbone interact. energy: -2.183 local terms energy: -209.761851 where: bonds (distance) C4'-P energy: -52.403 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -47.228 flat angles P-C4'-P energy: -27.199 tors. eta vs tors. theta energy: -27.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -371.293375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.293375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.293375 (E_RNA) where: Base-Base interactions energy: -177.714 where: short stacking energy: -97.327 Base-Backbone interact. energy: 0.794 local terms energy: -194.373319 where: bonds (distance) C4'-P energy: -47.969 bonds (distance) P-C4' energy: -56.493 flat angles C4'-P-C4' energy: -57.695 flat angles P-C4'-P energy: -24.463 tors. eta vs tors. theta energy: -7.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -314.940259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.940259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.940259 (E_RNA) where: Base-Base interactions energy: -91.897 where: short stacking energy: -86.841 Base-Backbone interact. energy: -1.542 local terms energy: -221.500564 where: bonds (distance) C4'-P energy: -67.452 bonds (distance) P-C4' energy: -63.571 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -32.806 tors. eta vs tors. theta energy: 3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1151.936794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.936794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.936794 (E_RNA) where: Base-Base interactions energy: -796.709 where: short stacking energy: -327.130 Base-Backbone interact. energy: -5.316 local terms energy: -349.911282 where: bonds (distance) C4'-P energy: -63.684 bonds (distance) P-C4' energy: -75.981 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -42.156 tors. eta vs tors. theta energy: -97.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1067.018765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.018765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.018765 (E_RNA) where: Base-Base interactions energy: -710.874 where: short stacking energy: -332.818 Base-Backbone interact. energy: -1.983 local terms energy: -354.161605 where: bonds (distance) C4'-P energy: -66.778 bonds (distance) P-C4' energy: -56.969 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -98.054 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: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1001.624599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.624599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.624599 (E_RNA) where: Base-Base interactions energy: -647.017 where: short stacking energy: -297.806 Base-Backbone interact. energy: -1.979 local terms energy: -352.628856 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -68.064 flat angles C4'-P-C4' energy: -77.322 flat angles P-C4'-P energy: -46.455 tors. eta vs tors. theta energy: -92.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -967.024041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.024041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.024041 (E_RNA) where: Base-Base interactions energy: -638.129 where: short stacking energy: -313.487 Base-Backbone interact. energy: 0.704 local terms energy: -329.599164 where: bonds (distance) C4'-P energy: -62.033 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -72.425 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -87.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -913.055281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.055281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.055281 (E_RNA) where: Base-Base interactions energy: -620.226 where: short stacking energy: -280.773 Base-Backbone interact. energy: -0.202 local terms energy: -292.627671 where: bonds (distance) C4'-P energy: -57.483 bonds (distance) P-C4' energy: -55.129 flat angles C4'-P-C4' energy: -68.549 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -73.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -838.183646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.183646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.183646 (E_RNA) where: Base-Base interactions energy: -539.181 where: short stacking energy: -243.052 Base-Backbone interact. energy: 4.588 local terms energy: -303.589954 where: bonds (distance) C4'-P energy: -60.299 bonds (distance) P-C4' energy: -71.074 flat angles C4'-P-C4' energy: -75.130 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -57.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -652.734066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.734066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.734066 (E_RNA) where: Base-Base interactions energy: -398.109 where: short stacking energy: -191.232 Base-Backbone interact. energy: -1.631 local terms energy: -252.993922 where: bonds (distance) C4'-P energy: -49.560 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -60.082 flat angles P-C4'-P energy: -39.795 tors. eta vs tors. theta energy: -37.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -495.413592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.413592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.413592 (E_RNA) where: Base-Base interactions energy: -264.468 where: short stacking energy: -140.697 Base-Backbone interact. energy: 1.714 local terms energy: -232.659431 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -73.206 flat angles C4'-P-C4' energy: -48.637 flat angles P-C4'-P energy: -34.034 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -336.785781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.785781 (E_RNA) where: Base-Base interactions energy: -147.721 where: short stacking energy: -97.170 Base-Backbone interact. energy: 2.083 local terms energy: -191.147703 where: bonds (distance) C4'-P energy: -45.551 bonds (distance) P-C4' energy: -50.444 flat angles C4'-P-C4' energy: -61.960 flat angles P-C4'-P energy: -29.425 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -273.432901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.432901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.432901 (E_RNA) where: Base-Base interactions energy: -95.411 where: short stacking energy: -76.792 Base-Backbone interact. energy: -1.818 local terms energy: -176.203687 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -41.780 flat angles P-C4'-P energy: -19.329 tors. eta vs tors. theta energy: 9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1132.546123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.546123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.546123 (E_RNA) where: Base-Base interactions energy: -780.962 where: short stacking energy: -342.231 Base-Backbone interact. energy: 3.646 local terms energy: -355.230163 where: bonds (distance) C4'-P energy: -56.030 bonds (distance) P-C4' energy: -75.206 flat angles C4'-P-C4' energy: -76.325 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -94.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1069.031758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.031758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.031758 (E_RNA) where: Base-Base interactions energy: -718.025 where: short stacking energy: -328.692 Base-Backbone interact. energy: -0.627 local terms energy: -350.379148 where: bonds (distance) C4'-P energy: -62.558 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -74.220 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -91.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1022.797962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.797962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.797962 (E_RNA) where: Base-Base interactions energy: -700.011 where: short stacking energy: -306.583 Base-Backbone interact. energy: -1.369 local terms energy: -321.417588 where: bonds (distance) C4'-P energy: -51.215 bonds (distance) P-C4' energy: -69.536 flat angles C4'-P-C4' energy: -77.429 flat angles P-C4'-P energy: -38.179 tors. eta vs tors. theta energy: -85.059 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: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -949.376407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.376407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.376407 (E_RNA) where: Base-Base interactions energy: -612.580 where: short stacking energy: -283.807 Base-Backbone interact. energy: -2.912 local terms energy: -333.884708 where: bonds (distance) C4'-P energy: -63.042 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -79.798 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: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -953.015794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.015794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.015794 (E_RNA) where: Base-Base interactions energy: -625.115 where: short stacking energy: -290.886 Base-Backbone interact. energy: 1.586 local terms energy: -329.486751 where: bonds (distance) C4'-P energy: -57.143 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -41.834 tors. eta vs tors. theta energy: -89.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -852.149727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.149727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.149727 (E_RNA) where: Base-Base interactions energy: -549.102 where: short stacking energy: -244.513 Base-Backbone interact. energy: -1.450 local terms energy: -301.597714 where: bonds (distance) C4'-P energy: -64.067 bonds (distance) P-C4' energy: -63.672 flat angles C4'-P-C4' energy: -63.306 flat angles P-C4'-P energy: -40.542 tors. eta vs tors. theta energy: -70.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -609.522608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.522608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.522608 (E_RNA) where: Base-Base interactions energy: -383.458 where: short stacking energy: -174.073 Base-Backbone interact. energy: 0.655 local terms energy: -226.719460 where: bonds (distance) C4'-P energy: -42.708 bonds (distance) P-C4' energy: -52.404 flat angles C4'-P-C4' energy: -60.513 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -28.193 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: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -515.738319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.738319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.738319 (E_RNA) where: Base-Base interactions energy: -276.072 where: short stacking energy: -157.263 Base-Backbone interact. energy: 4.658 local terms energy: -244.324598 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -55.827 flat angles C4'-P-C4' energy: -52.164 flat angles P-C4'-P energy: -39.612 tors. eta vs tors. theta energy: -42.090 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: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -346.406639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.406639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.406639 (E_RNA) where: Base-Base interactions energy: -131.012 where: short stacking energy: -119.501 Base-Backbone interact. energy: -0.417 local terms energy: -214.977635 where: bonds (distance) C4'-P energy: -65.004 bonds (distance) P-C4' energy: -46.365 flat angles C4'-P-C4' energy: -60.496 flat angles P-C4'-P energy: -31.325 tors. eta vs tors. theta energy: -11.788 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: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -312.391488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.391488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.391488 (E_RNA) where: Base-Base interactions energy: -101.989 where: short stacking energy: -99.843 Base-Backbone interact. energy: -0.800 local terms energy: -209.602696 where: bonds (distance) C4'-P energy: -46.061 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -53.319 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -2.709 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: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1132.363775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.363775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.363775 (E_RNA) where: Base-Base interactions energy: -784.702 where: short stacking energy: -358.055 Base-Backbone interact. energy: 0.641 local terms energy: -348.302975 where: bonds (distance) C4'-P energy: -59.277 bonds (distance) P-C4' energy: -75.430 flat angles C4'-P-C4' energy: -74.136 flat angles P-C4'-P energy: -50.635 tors. eta vs tors. theta energy: -88.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1078.374319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.374319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.374319 (E_RNA) where: Base-Base interactions energy: -731.887 where: short stacking energy: -340.041 Base-Backbone interact. energy: -0.312 local terms energy: -346.174979 where: bonds (distance) C4'-P energy: -57.893 bonds (distance) P-C4' energy: -74.089 flat angles C4'-P-C4' energy: -70.111 flat angles P-C4'-P energy: -47.360 tors. eta vs tors. theta energy: -96.722 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: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1037.693557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.693557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.693557 (E_RNA) where: Base-Base interactions energy: -692.535 where: short stacking energy: -314.197 Base-Backbone interact. energy: -0.045 local terms energy: -345.114038 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -73.004 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -89.932 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: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -960.019585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.019585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.019585 (E_RNA) where: Base-Base interactions energy: -627.557 where: short stacking energy: -299.873 Base-Backbone interact. energy: -0.244 local terms energy: -332.218738 where: bonds (distance) C4'-P energy: -57.108 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -91.624 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: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -943.743328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.743328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.743328 (E_RNA) where: Base-Base interactions energy: -613.656 where: short stacking energy: -283.254 Base-Backbone interact. energy: 0.716 local terms energy: -330.803332 where: bonds (distance) C4'-P energy: -60.793 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -83.455 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: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -844.762598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.762598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.762598 (E_RNA) where: Base-Base interactions energy: -548.534 where: short stacking energy: -250.206 Base-Backbone interact. energy: 1.528 local terms energy: -297.756607 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -61.912 flat angles P-C4'-P energy: -34.495 tors. eta vs tors. theta energy: -76.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -666.467887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.467887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.467887 (E_RNA) where: Base-Base interactions energy: -420.180 where: short stacking energy: -208.247 Base-Backbone interact. energy: -0.600 local terms energy: -245.687983 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -49.461 flat angles C4'-P-C4' energy: -51.143 flat angles P-C4'-P energy: -35.312 tors. eta vs tors. theta energy: -45.065 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: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -514.574778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.574778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.574778 (E_RNA) where: Base-Base interactions energy: -284.434 where: short stacking energy: -162.984 Base-Backbone interact. energy: -0.855 local terms energy: -229.285940 where: bonds (distance) C4'-P energy: -46.016 bonds (distance) P-C4' energy: -62.601 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -38.773 tors. eta vs tors. theta energy: -25.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -312.606927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.606927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.606927 (E_RNA) where: Base-Base interactions energy: -135.231 where: short stacking energy: -107.060 Base-Backbone interact. energy: 6.627 local terms energy: -184.003073 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -50.213 flat angles C4'-P-C4' energy: -44.951 flat angles P-C4'-P energy: -27.272 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -288.056701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.056701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.056701 (E_RNA) where: Base-Base interactions energy: -104.145 where: short stacking energy: -78.321 Base-Backbone interact. energy: -0.671 local terms energy: -183.240767 where: bonds (distance) C4'-P energy: -54.430 bonds (distance) P-C4' energy: -67.541 flat angles C4'-P-C4' energy: -41.950 flat angles P-C4'-P energy: -32.096 tors. eta vs tors. theta energy: 12.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1132.547699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.547699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.547699 (E_RNA) where: Base-Base interactions energy: -771.525 where: short stacking energy: -321.866 Base-Backbone interact. energy: -0.757 local terms energy: -360.265730 where: bonds (distance) C4'-P energy: -66.306 bonds (distance) P-C4' energy: -68.958 flat angles C4'-P-C4' energy: -78.344 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -91.350 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: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1095.625072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.625072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.625072 (E_RNA) where: Base-Base interactions energy: -733.331 where: short stacking energy: -328.037 Base-Backbone interact. energy: -1.572 local terms energy: -360.722035 where: bonds (distance) C4'-P energy: -69.723 bonds (distance) P-C4' energy: -67.411 flat angles C4'-P-C4' energy: -77.226 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -94.544 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: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1034.576180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.576180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.576180 (E_RNA) where: Base-Base interactions energy: -702.437 where: short stacking energy: -315.206 Base-Backbone interact. energy: -2.545 local terms energy: -329.594507 where: bonds (distance) C4'-P energy: -59.065 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -68.316 flat angles P-C4'-P energy: -45.048 tors. eta vs tors. theta energy: -91.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -976.984345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.984345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.984345 (E_RNA) where: Base-Base interactions energy: -637.382 where: short stacking energy: -296.169 Base-Backbone interact. energy: 0.590 local terms energy: -340.192665 where: bonds (distance) C4'-P energy: -67.621 bonds (distance) P-C4' energy: -69.245 flat angles C4'-P-C4' energy: -75.536 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: -84.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -924.904931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.904931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.904931 (E_RNA) where: Base-Base interactions energy: -612.811 where: short stacking energy: -274.660 Base-Backbone interact. energy: -0.536 local terms energy: -311.557848 where: bonds (distance) C4'-P energy: -68.684 bonds (distance) P-C4' energy: -56.522 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -81.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -854.146118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.146118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.146118 (E_RNA) where: Base-Base interactions energy: -558.412 where: short stacking energy: -247.190 Base-Backbone interact. energy: -1.215 local terms energy: -294.518500 where: bonds (distance) C4'-P energy: -63.852 bonds (distance) P-C4' energy: -58.394 flat angles C4'-P-C4' energy: -67.920 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -64.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -628.987724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.987724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.987724 (E_RNA) where: Base-Base interactions energy: -361.696 where: short stacking energy: -178.867 Base-Backbone interact. energy: -1.834 local terms energy: -265.458004 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -70.170 flat angles C4'-P-C4' energy: -56.915 flat angles P-C4'-P energy: -35.459 tors. eta vs tors. theta energy: -45.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -499.569382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.569382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.569382 (E_RNA) where: Base-Base interactions energy: -254.382 where: short stacking energy: -144.637 Base-Backbone interact. energy: 0.774 local terms energy: -245.961379 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -29.412 tors. eta vs tors. theta energy: -19.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -306.709488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.709488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.709488 (E_RNA) where: Base-Base interactions energy: -137.514 where: short stacking energy: -85.468 Base-Backbone interact. energy: 0.731 local terms energy: -169.927056 where: bonds (distance) C4'-P energy: -56.015 bonds (distance) P-C4' energy: -43.900 flat angles C4'-P-C4' energy: -40.635 flat angles P-C4'-P energy: -40.107 tors. eta vs tors. theta energy: 10.729 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: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -293.576657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.576657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.576657 (E_RNA) where: Base-Base interactions energy: -98.547 where: short stacking energy: -74.567 Base-Backbone interact. energy: -2.063 local terms energy: -192.966685 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -48.146 flat angles P-C4'-P energy: -30.763 tors. eta vs tors. theta energy: 7.562 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: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1156.012270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.012270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.012270 (E_RNA) where: Base-Base interactions energy: -789.932 where: short stacking energy: -349.402 Base-Backbone interact. energy: -2.086 local terms energy: -363.994838 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -68.918 flat angles C4'-P-C4' energy: -80.336 flat angles P-C4'-P energy: -54.881 tors. eta vs tors. theta energy: -93.719 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: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1092.109124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.109124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.109124 (E_RNA) where: Base-Base interactions energy: -734.636 where: short stacking energy: -320.682 Base-Backbone interact. energy: -2.220 local terms energy: -355.252872 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -68.470 flat angles C4'-P-C4' energy: -78.675 flat angles P-C4'-P energy: -47.707 tors. eta vs tors. theta energy: -99.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1025.407538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.407538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.407538 (E_RNA) where: Base-Base interactions energy: -683.993 where: short stacking energy: -321.618 Base-Backbone interact. energy: -1.168 local terms energy: -340.245873 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -68.283 flat angles C4'-P-C4' energy: -70.345 flat angles P-C4'-P energy: -47.415 tors. eta vs tors. theta energy: -86.905 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1012.457428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.457428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.457428 (E_RNA) where: Base-Base interactions energy: -659.805 where: short stacking energy: -295.990 Base-Backbone interact. energy: -2.593 local terms energy: -350.059266 where: bonds (distance) C4'-P energy: -60.786 bonds (distance) P-C4' energy: -65.666 flat angles C4'-P-C4' energy: -83.759 flat angles P-C4'-P energy: -47.684 tors. eta vs tors. theta energy: -92.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -937.145063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.145063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.145063 (E_RNA) where: Base-Base interactions energy: -602.986 where: short stacking energy: -274.805 Base-Backbone interact. energy: 0.037 local terms energy: -334.195689 where: bonds (distance) C4'-P energy: -66.642 bonds (distance) P-C4' energy: -66.537 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -45.061 tors. eta vs tors. theta energy: -87.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -855.857014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.857014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.857014 (E_RNA) where: Base-Base interactions energy: -558.148 where: short stacking energy: -246.464 Base-Backbone interact. energy: -0.677 local terms energy: -297.032218 where: bonds (distance) C4'-P energy: -49.976 bonds (distance) P-C4' energy: -57.029 flat angles C4'-P-C4' energy: -72.441 flat angles P-C4'-P energy: -45.315 tors. eta vs tors. theta energy: -72.271 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: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -639.900678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.900678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.900678 (E_RNA) where: Base-Base interactions energy: -378.487 where: short stacking energy: -193.396 Base-Backbone interact. energy: 0.217 local terms energy: -261.630865 where: bonds (distance) C4'-P energy: -58.134 bonds (distance) P-C4' energy: -65.904 flat angles C4'-P-C4' energy: -65.907 flat angles P-C4'-P energy: -38.163 tors. eta vs tors. theta energy: -33.524 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: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -479.738419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.738419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.738419 (E_RNA) where: Base-Base interactions energy: -245.828 where: short stacking energy: -135.128 Base-Backbone interact. energy: -0.770 local terms energy: -233.140697 where: bonds (distance) C4'-P energy: -69.505 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -54.358 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: -17.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -327.223695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.223695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.223695 (E_RNA) where: Base-Base interactions energy: -110.055 where: short stacking energy: -92.121 Base-Backbone interact. energy: 0.164 local terms energy: -217.332901 where: bonds (distance) C4'-P energy: -66.913 bonds (distance) P-C4' energy: -52.651 flat angles C4'-P-C4' energy: -66.463 flat angles P-C4'-P energy: -29.467 tors. eta vs tors. theta energy: -1.839 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: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -270.857602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.857602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.857602 (E_RNA) where: Base-Base interactions energy: -88.395 where: short stacking energy: -82.403 Base-Backbone interact. energy: -1.944 local terms energy: -180.518636 where: bonds (distance) C4'-P energy: -49.840 bonds (distance) P-C4' energy: -61.147 flat angles C4'-P-C4' energy: -54.414 flat angles P-C4'-P energy: -24.948 tors. eta vs tors. theta energy: 9.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1128.174212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.174212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.174212 (E_RNA) where: Base-Base interactions energy: -782.388 where: short stacking energy: -314.759 Base-Backbone interact. energy: -1.604 local terms energy: -344.182479 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -70.408 flat angles C4'-P-C4' energy: -69.345 flat angles P-C4'-P energy: -51.803 tors. eta vs tors. theta energy: -86.465 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1064.408182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.408182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.408182 (E_RNA) where: Base-Base interactions energy: -714.952 where: short stacking energy: -324.870 Base-Backbone interact. energy: 2.069 local terms energy: -351.524401 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -79.653 flat angles P-C4'-P energy: -57.447 tors. eta vs tors. theta energy: -86.910 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: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1028.935279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.935279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.935279 (E_RNA) where: Base-Base interactions energy: -678.554 where: short stacking energy: -313.624 Base-Backbone interact. energy: -1.399 local terms energy: -348.981777 where: bonds (distance) C4'-P energy: -66.215 bonds (distance) P-C4' energy: -65.014 flat angles C4'-P-C4' energy: -74.987 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -96.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1020.011557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.011557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.011557 (E_RNA) where: Base-Base interactions energy: -678.920 where: short stacking energy: -303.835 Base-Backbone interact. energy: -2.616 local terms energy: -338.475704 where: bonds (distance) C4'-P energy: -58.434 bonds (distance) P-C4' energy: -65.336 flat angles C4'-P-C4' energy: -82.111 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -87.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -931.851709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.851709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.851709 (E_RNA) where: Base-Base interactions energy: -617.640 where: short stacking energy: -277.897 Base-Backbone interact. energy: 0.740 local terms energy: -314.952109 where: bonds (distance) C4'-P energy: -53.710 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -69.636 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: -73.075 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: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -825.717394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.717394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.717394 (E_RNA) where: Base-Base interactions energy: -528.527 where: short stacking energy: -253.048 Base-Backbone interact. energy: -0.809 local terms energy: -296.381846 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -50.027 flat angles C4'-P-C4' energy: -72.013 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: -68.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -697.536668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.536668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.536668 (E_RNA) where: Base-Base interactions energy: -434.237 where: short stacking energy: -203.158 Base-Backbone interact. energy: 0.865 local terms energy: -264.165079 where: bonds (distance) C4'-P energy: -62.820 bonds (distance) P-C4' energy: -61.109 flat angles C4'-P-C4' energy: -61.344 flat angles P-C4'-P energy: -32.974 tors. eta vs tors. theta energy: -45.916 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: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -488.183835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.183835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.183835 (E_RNA) where: Base-Base interactions energy: -275.546 where: short stacking energy: -149.150 Base-Backbone interact. energy: -0.548 local terms energy: -212.089853 where: bonds (distance) C4'-P energy: -48.321 bonds (distance) P-C4' energy: -62.064 flat angles C4'-P-C4' energy: -50.846 flat angles P-C4'-P energy: -38.569 tors. eta vs tors. theta energy: -12.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -308.040456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.040456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.040456 (E_RNA) where: Base-Base interactions energy: -103.631 where: short stacking energy: -96.217 Base-Backbone interact. energy: -0.313 local terms energy: -204.096023 where: bonds (distance) C4'-P energy: -52.964 bonds (distance) P-C4' energy: -66.762 flat angles C4'-P-C4' energy: -56.018 flat angles P-C4'-P energy: -33.001 tors. eta vs tors. theta energy: 4.649 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: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -291.282941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.282941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.282941 (E_RNA) where: Base-Base interactions energy: -108.023 where: short stacking energy: -87.867 Base-Backbone interact. energy: 0.628 local terms energy: -183.887571 where: bonds (distance) C4'-P energy: -60.422 bonds (distance) P-C4' energy: -51.995 flat angles C4'-P-C4' energy: -50.893 flat angles P-C4'-P energy: -30.075 tors. eta vs tors. theta energy: 9.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1144.278339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.278339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.278339 (E_RNA) where: Base-Base interactions energy: -784.209 where: short stacking energy: -332.303 Base-Backbone interact. energy: 0.951 local terms energy: -361.020448 where: bonds (distance) C4'-P energy: -60.743 bonds (distance) P-C4' energy: -76.499 flat angles C4'-P-C4' energy: -77.621 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -93.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1084.883041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.883041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.883041 (E_RNA) where: Base-Base interactions energy: -747.987 where: short stacking energy: -327.307 Base-Backbone interact. energy: 0.888 local terms energy: -337.784535 where: bonds (distance) C4'-P energy: -66.934 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -52.934 tors. eta vs tors. theta energy: -83.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1028.182990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.182990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.182990 (E_RNA) where: Base-Base interactions energy: -693.335 where: short stacking energy: -303.119 Base-Backbone interact. energy: -0.829 local terms energy: -334.019061 where: bonds (distance) C4'-P energy: -58.405 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -73.275 flat angles P-C4'-P energy: -50.315 tors. eta vs tors. theta energy: -89.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1017.589401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.589401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.589401 (E_RNA) where: Base-Base interactions energy: -683.104 where: short stacking energy: -305.119 Base-Backbone interact. energy: -0.879 local terms energy: -333.605837 where: bonds (distance) C4'-P energy: -60.272 bonds (distance) P-C4' energy: -72.144 flat angles C4'-P-C4' energy: -63.066 flat angles P-C4'-P energy: -53.668 tors. eta vs tors. theta energy: -84.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -944.177711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.177711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.177711 (E_RNA) where: Base-Base interactions energy: -610.101 where: short stacking energy: -277.845 Base-Backbone interact. energy: -0.342 local terms energy: -333.734441 where: bonds (distance) C4'-P energy: -61.493 bonds (distance) P-C4' energy: -68.236 flat angles C4'-P-C4' energy: -78.819 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -76.768 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: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -862.604725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.604725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.604725 (E_RNA) where: Base-Base interactions energy: -563.127 where: short stacking energy: -253.135 Base-Backbone interact. energy: -0.871 local terms energy: -298.606883 where: bonds (distance) C4'-P energy: -49.738 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -65.753 flat angles P-C4'-P energy: -48.749 tors. eta vs tors. theta energy: -73.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -678.228187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.228187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.228187 (E_RNA) where: Base-Base interactions energy: -446.922 where: short stacking energy: -208.465 Base-Backbone interact. energy: -0.264 local terms energy: -231.042341 where: bonds (distance) C4'-P energy: -43.881 bonds (distance) P-C4' energy: -52.567 flat angles C4'-P-C4' energy: -56.033 flat angles P-C4'-P energy: -38.918 tors. eta vs tors. theta energy: -39.644 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: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -506.190906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.190906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.190906 (E_RNA) where: Base-Base interactions energy: -273.120 where: short stacking energy: -154.108 Base-Backbone interact. energy: -0.145 local terms energy: -232.925120 where: bonds (distance) C4'-P energy: -57.517 bonds (distance) P-C4' energy: -63.806 flat angles C4'-P-C4' energy: -60.541 flat angles P-C4'-P energy: -30.944 tors. eta vs tors. theta energy: -20.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -320.633619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.633619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.633619 (E_RNA) where: Base-Base interactions energy: -141.172 where: short stacking energy: -107.633 Base-Backbone interact. energy: -1.415 local terms energy: -178.046675 where: bonds (distance) C4'-P energy: -57.621 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -50.295 flat angles P-C4'-P energy: -25.391 tors. eta vs tors. theta energy: 10.423 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: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -293.817350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.817350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.817350 (E_RNA) where: Base-Base interactions energy: -105.530 where: short stacking energy: -90.658 Base-Backbone interact. energy: -1.837 local terms energy: -186.450445 where: bonds (distance) C4'-P energy: -47.339 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -56.913 flat angles P-C4'-P energy: -24.300 tors. eta vs tors. theta energy: 1.247 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: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1142.285664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.285664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.285664 (E_RNA) where: Base-Base interactions energy: -771.960 where: short stacking energy: -343.368 Base-Backbone interact. energy: -2.059 local terms energy: -368.267208 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -72.150 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -53.845 tors. eta vs tors. theta energy: -90.164 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: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1070.829102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.829102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.829102 (E_RNA) where: Base-Base interactions energy: -722.067 where: short stacking energy: -328.691 Base-Backbone interact. energy: -0.270 local terms energy: -348.491439 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -78.761 flat angles C4'-P-C4' energy: -76.581 flat angles P-C4'-P energy: -45.727 tors. eta vs tors. theta energy: -86.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1001.923487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.923487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.923487 (E_RNA) where: Base-Base interactions energy: -659.720 where: short stacking energy: -308.525 Base-Backbone interact. energy: -0.863 local terms energy: -341.341119 where: bonds (distance) C4'-P energy: -65.178 bonds (distance) P-C4' energy: -68.367 flat angles C4'-P-C4' energy: -72.997 flat angles P-C4'-P energy: -46.705 tors. eta vs tors. theta energy: -88.094 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: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -969.644978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.644978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.644978 (E_RNA) where: Base-Base interactions energy: -641.338 where: short stacking energy: -303.244 Base-Backbone interact. energy: -0.258 local terms energy: -328.048886 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -67.004 flat angles C4'-P-C4' energy: -71.232 flat angles P-C4'-P energy: -40.430 tors. eta vs tors. theta energy: -85.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -954.635356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.635356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.635356 (E_RNA) where: Base-Base interactions energy: -638.275 where: short stacking energy: -290.401 Base-Backbone interact. energy: -2.444 local terms energy: -313.915547 where: bonds (distance) C4'-P energy: -49.610 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -75.361 flat angles P-C4'-P energy: -48.798 tors. eta vs tors. theta energy: -78.890 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -852.607678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.607678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.607678 (E_RNA) where: Base-Base interactions energy: -593.099 where: short stacking energy: -269.137 Base-Backbone interact. energy: 0.836 local terms energy: -260.344381 where: bonds (distance) C4'-P energy: -43.050 bonds (distance) P-C4' energy: -51.351 flat angles C4'-P-C4' energy: -58.326 flat angles P-C4'-P energy: -39.273 tors. eta vs tors. theta energy: -68.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -690.440908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.440908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.440908 (E_RNA) where: Base-Base interactions energy: -419.553 where: short stacking energy: -190.422 Base-Backbone interact. energy: 2.279 local terms energy: -273.167133 where: bonds (distance) C4'-P energy: -59.461 bonds (distance) P-C4' energy: -67.374 flat angles C4'-P-C4' energy: -66.306 flat angles P-C4'-P energy: -36.453 tors. eta vs tors. theta energy: -43.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -555.757689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.757689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.757689 (E_RNA) where: Base-Base interactions energy: -330.348 where: short stacking energy: -157.659 Base-Backbone interact. energy: -2.894 local terms energy: -222.516033 where: bonds (distance) C4'-P energy: -40.939 bonds (distance) P-C4' energy: -59.203 flat angles C4'-P-C4' energy: -54.815 flat angles P-C4'-P energy: -41.358 tors. eta vs tors. theta energy: -26.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -303.842385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.842385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.842385 (E_RNA) where: Base-Base interactions energy: -105.613 where: short stacking energy: -82.704 Base-Backbone interact. energy: -1.921 local terms energy: -196.308218 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -53.626 flat angles P-C4'-P energy: -28.139 tors. eta vs tors. theta energy: 2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -300.310376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.310376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.310376 (E_RNA) where: Base-Base interactions energy: -91.923 where: short stacking energy: -78.895 Base-Backbone interact. energy: 0.363 local terms energy: -208.750462 where: bonds (distance) C4'-P energy: -47.912 bonds (distance) P-C4' energy: -52.815 flat angles C4'-P-C4' energy: -61.401 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1143.923877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.923877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.923877 (E_RNA) where: Base-Base interactions energy: -781.209 where: short stacking energy: -347.708 Base-Backbone interact. energy: -1.821 local terms energy: -360.894365 where: bonds (distance) C4'-P energy: -66.969 bonds (distance) P-C4' energy: -73.084 flat angles C4'-P-C4' energy: -78.303 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -96.845 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: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1089.408914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.408914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.408914 (E_RNA) where: Base-Base interactions energy: -737.875 where: short stacking energy: -340.325 Base-Backbone interact. energy: -0.373 local terms energy: -351.160490 where: bonds (distance) C4'-P energy: -55.155 bonds (distance) P-C4' energy: -69.857 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -91.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -997.939321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.939321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.939321 (E_RNA) where: Base-Base interactions energy: -656.037 where: short stacking energy: -309.019 Base-Backbone interact. energy: -0.184 local terms energy: -341.718025 where: bonds (distance) C4'-P energy: -64.721 bonds (distance) P-C4' energy: -66.350 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -95.002 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: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1005.609173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.609173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.609173 (E_RNA) where: Base-Base interactions energy: -670.673 where: short stacking energy: -312.783 Base-Backbone interact. energy: -0.852 local terms energy: -334.084267 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -68.924 flat angles C4'-P-C4' energy: -69.572 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -84.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -942.575669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.575669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.575669 (E_RNA) where: Base-Base interactions energy: -613.592 where: short stacking energy: -255.988 Base-Backbone interact. energy: -0.599 local terms energy: -328.384405 where: bonds (distance) C4'-P energy: -61.727 bonds (distance) P-C4' energy: -76.342 flat angles C4'-P-C4' energy: -68.085 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -77.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -850.157419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.157419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.157419 (E_RNA) where: Base-Base interactions energy: -557.508 where: short stacking energy: -250.280 Base-Backbone interact. energy: -0.913 local terms energy: -291.735762 where: bonds (distance) C4'-P energy: -55.554 bonds (distance) P-C4' energy: -65.518 flat angles C4'-P-C4' energy: -76.514 flat angles P-C4'-P energy: -33.162 tors. eta vs tors. theta energy: -60.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -691.769230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.769230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.769230 (E_RNA) where: Base-Base interactions energy: -427.824 where: short stacking energy: -211.537 Base-Backbone interact. energy: -1.268 local terms energy: -262.677910 where: bonds (distance) C4'-P energy: -57.002 bonds (distance) P-C4' energy: -56.585 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -32.291 tors. eta vs tors. theta energy: -48.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -506.698772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.698772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.698772 (E_RNA) where: Base-Base interactions energy: -282.446 where: short stacking energy: -144.431 Base-Backbone interact. energy: -1.036 local terms energy: -223.217597 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -48.069 flat angles P-C4'-P energy: -36.958 tors. eta vs tors. theta energy: -19.056 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: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -303.993581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.993581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.993581 (E_RNA) where: Base-Base interactions energy: -116.752 where: short stacking energy: -93.425 Base-Backbone interact. energy: -1.903 local terms energy: -185.338374 where: bonds (distance) C4'-P energy: -61.421 bonds (distance) P-C4' energy: -56.587 flat angles C4'-P-C4' energy: -45.109 flat angles P-C4'-P energy: -25.202 tors. eta vs tors. theta energy: 2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -299.896675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.896675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.896675 (E_RNA) where: Base-Base interactions energy: -109.275 where: short stacking energy: -85.893 Base-Backbone interact. energy: 1.355 local terms energy: -191.976888 where: bonds (distance) C4'-P energy: -59.875 bonds (distance) P-C4' energy: -58.701 flat angles C4'-P-C4' energy: -47.417 flat angles P-C4'-P energy: -29.251 tors. eta vs tors. theta energy: 3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1139.424876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.424876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.424876 (E_RNA) where: Base-Base interactions energy: -781.267 where: short stacking energy: -325.436 Base-Backbone interact. energy: -3.429 local terms energy: -354.729175 where: bonds (distance) C4'-P energy: -66.797 bonds (distance) P-C4' energy: -61.710 flat angles C4'-P-C4' energy: -75.671 flat angles P-C4'-P energy: -53.963 tors. eta vs tors. theta energy: -96.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1078.805532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.805532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.805532 (E_RNA) where: Base-Base interactions energy: -725.457 where: short stacking energy: -317.577 Base-Backbone interact. energy: -0.732 local terms energy: -352.616593 where: bonds (distance) C4'-P energy: -73.103 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -78.437 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -86.987 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: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1015.449481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.449481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.449481 (E_RNA) where: Base-Base interactions energy: -669.706 where: short stacking energy: -300.789 Base-Backbone interact. energy: -1.147 local terms energy: -344.595659 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -69.996 flat angles C4'-P-C4' energy: -63.329 flat angles P-C4'-P energy: -54.395 tors. eta vs tors. theta energy: -89.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -966.432936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.432936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.432936 (E_RNA) where: Base-Base interactions energy: -633.420 where: short stacking energy: -302.815 Base-Backbone interact. energy: 2.163 local terms energy: -335.175939 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -63.197 flat angles C4'-P-C4' energy: -70.840 flat angles P-C4'-P energy: -48.068 tors. eta vs tors. theta energy: -90.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -966.804523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.804523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.804523 (E_RNA) where: Base-Base interactions energy: -637.475 where: short stacking energy: -295.297 Base-Backbone interact. energy: -1.643 local terms energy: -327.685586 where: bonds (distance) C4'-P energy: -63.139 bonds (distance) P-C4' energy: -74.833 flat angles C4'-P-C4' energy: -62.492 flat angles P-C4'-P energy: -40.372 tors. eta vs tors. theta energy: -86.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -825.723804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.723804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.723804 (E_RNA) where: Base-Base interactions energy: -557.022 where: short stacking energy: -237.585 Base-Backbone interact. energy: -1.679 local terms energy: -267.022351 where: bonds (distance) C4'-P energy: -55.810 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -33.830 tors. eta vs tors. theta energy: -59.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -695.970296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.970296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.970296 (E_RNA) where: Base-Base interactions energy: -439.423 where: short stacking energy: -193.209 Base-Backbone interact. energy: -1.940 local terms energy: -254.607277 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -71.218 flat angles P-C4'-P energy: -39.657 tors. eta vs tors. theta energy: -31.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -519.302230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.302230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.302230 (E_RNA) where: Base-Base interactions energy: -289.508 where: short stacking energy: -141.675 Base-Backbone interact. energy: -1.787 local terms energy: -228.006576 where: bonds (distance) C4'-P energy: -49.072 bonds (distance) P-C4' energy: -59.396 flat angles C4'-P-C4' energy: -59.701 flat angles P-C4'-P energy: -42.203 tors. eta vs tors. theta energy: -17.635 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: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -336.385092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.385092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.385092 (E_RNA) where: Base-Base interactions energy: -128.594 where: short stacking energy: -108.066 Base-Backbone interact. energy: 0.431 local terms energy: -208.221777 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -33.056 tors. eta vs tors. theta energy: 4.345 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: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -289.787834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.787834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.787834 (E_RNA) where: Base-Base interactions energy: -113.550 where: short stacking energy: -77.833 Base-Backbone interact. energy: 0.048 local terms energy: -176.285927 where: bonds (distance) C4'-P energy: -56.278 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -43.406 flat angles P-C4'-P energy: -29.004 tors. eta vs tors. theta energy: 13.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1143.990563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.990563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.990563 (E_RNA) where: Base-Base interactions energy: -779.860 where: short stacking energy: -319.899 Base-Backbone interact. energy: -0.295 local terms energy: -363.835641 where: bonds (distance) C4'-P energy: -69.339 bonds (distance) P-C4' energy: -73.343 flat angles C4'-P-C4' energy: -77.064 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -89.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1101.845611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.845611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.845611 (E_RNA) where: Base-Base interactions energy: -747.287 where: short stacking energy: -336.862 Base-Backbone interact. energy: -0.298 local terms energy: -354.260516 where: bonds (distance) C4'-P energy: -71.466 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -73.352 flat angles P-C4'-P energy: -52.396 tors. eta vs tors. theta energy: -87.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1003.755401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.755401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.755401 (E_RNA) where: Base-Base interactions energy: -661.619 where: short stacking energy: -312.575 Base-Backbone interact. energy: 0.404 local terms energy: -342.540498 where: bonds (distance) C4'-P energy: -64.316 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -93.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -964.043617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.043617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.043617 (E_RNA) where: Base-Base interactions energy: -627.480 where: short stacking energy: -303.070 Base-Backbone interact. energy: -0.309 local terms energy: -336.254042 where: bonds (distance) C4'-P energy: -58.414 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -92.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -903.406916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.406916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.406916 (E_RNA) where: Base-Base interactions energy: -563.528 where: short stacking energy: -270.010 Base-Backbone interact. energy: -1.795 local terms energy: -338.083069 where: bonds (distance) C4'-P energy: -71.050 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -77.475 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: -74.461 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: 6 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -929.475525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.475525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.475525 (E_RNA) where: Base-Base interactions energy: -594.952 where: short stacking energy: -258.587 Base-Backbone interact. energy: -1.926 local terms energy: -332.597588 where: bonds (distance) C4'-P energy: -58.183 bonds (distance) P-C4' energy: -73.510 flat angles C4'-P-C4' energy: -69.572 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: -81.064 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: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -697.256778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.256778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.256778 (E_RNA) where: Base-Base interactions energy: -428.390 where: short stacking energy: -201.798 Base-Backbone interact. energy: 0.386 local terms energy: -269.253678 where: bonds (distance) C4'-P energy: -65.173 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -67.387 flat angles P-C4'-P energy: -36.265 tors. eta vs tors. theta energy: -42.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -499.946042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.946042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.946042 (E_RNA) where: Base-Base interactions energy: -280.126 where: short stacking energy: -166.445 Base-Backbone interact. energy: 1.464 local terms energy: -221.283374 where: bonds (distance) C4'-P energy: -44.338 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -48.271 flat angles P-C4'-P energy: -37.381 tors. eta vs tors. theta energy: -26.629 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: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -313.459235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.459235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.459235 (E_RNA) where: Base-Base interactions energy: -98.368 where: short stacking energy: -93.374 Base-Backbone interact. energy: 2.482 local terms energy: -217.572855 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -71.576 flat angles C4'-P-C4' energy: -58.882 flat angles P-C4'-P energy: -32.582 tors. eta vs tors. theta energy: 1.585 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: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -300.770862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.770862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.770862 (E_RNA) where: Base-Base interactions energy: -129.145 where: short stacking energy: -78.968 Base-Backbone interact. energy: 1.335 local terms energy: -172.960751 where: bonds (distance) C4'-P energy: -66.535 bonds (distance) P-C4' energy: -49.188 flat angles C4'-P-C4' energy: -43.258 flat angles P-C4'-P energy: -22.353 tors. eta vs tors. theta energy: 8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1138.089777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.089777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.089777 (E_RNA) where: Base-Base interactions energy: -774.465 where: short stacking energy: -336.941 Base-Backbone interact. energy: 1.202 local terms energy: -364.827247 where: bonds (distance) C4'-P energy: -74.366 bonds (distance) P-C4' energy: -66.123 flat angles C4'-P-C4' energy: -67.986 flat angles P-C4'-P energy: -55.428 tors. eta vs tors. theta energy: -100.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1103.631266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.631266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.631266 (E_RNA) where: Base-Base interactions energy: -743.348 where: short stacking energy: -330.201 Base-Backbone interact. energy: -0.496 local terms energy: -359.787378 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -65.134 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -50.129 tors. eta vs tors. theta energy: -98.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -989.457873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.457873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.457873 (E_RNA) where: Base-Base interactions energy: -654.458 where: short stacking energy: -301.028 Base-Backbone interact. energy: 0.594 local terms energy: -335.593729 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -64.742 flat angles C4'-P-C4' energy: -72.661 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -87.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -975.502127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.502127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.502127 (E_RNA) where: Base-Base interactions energy: -619.174 where: short stacking energy: -311.142 Base-Backbone interact. energy: 0.574 local terms energy: -356.901686 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -67.697 flat angles C4'-P-C4' energy: -73.834 flat angles P-C4'-P energy: -49.386 tors. eta vs tors. theta energy: -102.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -897.061860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.061860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.061860 (E_RNA) where: Base-Base interactions energy: -562.868 where: short stacking energy: -256.210 Base-Backbone interact. energy: -1.819 local terms energy: -332.374546 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -77.709 flat angles C4'-P-C4' energy: -71.558 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -74.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -932.341003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.341003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.341003 (E_RNA) where: Base-Base interactions energy: -616.963 where: short stacking energy: -294.489 Base-Backbone interact. energy: -3.214 local terms energy: -312.163459 where: bonds (distance) C4'-P energy: -50.415 bonds (distance) P-C4' energy: -58.316 flat angles C4'-P-C4' energy: -66.926 flat angles P-C4'-P energy: -44.709 tors. eta vs tors. theta energy: -91.798 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: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -682.482894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.482894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.482894 (E_RNA) where: Base-Base interactions energy: -429.904 where: short stacking energy: -206.530 Base-Backbone interact. energy: -2.120 local terms energy: -250.459208 where: bonds (distance) C4'-P energy: -51.593 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -29.479 tors. eta vs tors. theta energy: -45.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -474.487924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.487924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.487924 (E_RNA) where: Base-Base interactions energy: -249.600 where: short stacking energy: -144.132 Base-Backbone interact. energy: 0.862 local terms energy: -225.750481 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -54.665 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -38.639 tors. eta vs tors. theta energy: -16.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -311.499695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.499695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.499695 (E_RNA) where: Base-Base interactions energy: -118.316 where: short stacking energy: -76.778 Base-Backbone interact. energy: -2.093 local terms energy: -191.090213 where: bonds (distance) C4'-P energy: -50.474 bonds (distance) P-C4' energy: -56.955 flat angles C4'-P-C4' energy: -54.672 flat angles P-C4'-P energy: -31.369 tors. eta vs tors. theta energy: 2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -303.419133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.419133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.419133 (E_RNA) where: Base-Base interactions energy: -118.727 where: short stacking energy: -98.221 Base-Backbone interact. energy: 0.581 local terms energy: -185.273898 where: bonds (distance) C4'-P energy: -39.473 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -46.683 flat angles P-C4'-P energy: -39.622 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1140.225127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.225127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.225127 (E_RNA) where: Base-Base interactions energy: -781.886 where: short stacking energy: -313.982 Base-Backbone interact. energy: -1.162 local terms energy: -357.177080 where: bonds (distance) C4'-P energy: -79.734 bonds (distance) P-C4' energy: -70.945 flat angles C4'-P-C4' energy: -69.190 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: -92.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1098.617911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.617911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.617911 (E_RNA) where: Base-Base interactions energy: -728.590 where: short stacking energy: -341.767 Base-Backbone interact. energy: -0.549 local terms energy: -369.479200 where: bonds (distance) C4'-P energy: -71.622 bonds (distance) P-C4' energy: -69.863 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -58.485 tors. eta vs tors. theta energy: -96.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1007.256208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.256208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.256208 (E_RNA) where: Base-Base interactions energy: -650.704 where: short stacking energy: -309.994 Base-Backbone interact. energy: 1.470 local terms energy: -358.021726 where: bonds (distance) C4'-P energy: -70.357 bonds (distance) P-C4' energy: -70.051 flat angles C4'-P-C4' energy: -76.740 flat angles P-C4'-P energy: -48.652 tors. eta vs tors. theta energy: -92.221 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: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -961.045984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.045984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.045984 (E_RNA) where: Base-Base interactions energy: -642.980 where: short stacking energy: -275.087 Base-Backbone interact. energy: -1.324 local terms energy: -316.742378 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -67.970 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: -79.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -946.825437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.825437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.825437 (E_RNA) where: Base-Base interactions energy: -627.560 where: short stacking energy: -287.472 Base-Backbone interact. energy: -0.728 local terms energy: -318.537212 where: bonds (distance) C4'-P energy: -68.724 bonds (distance) P-C4' energy: -61.443 flat angles C4'-P-C4' energy: -65.768 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -77.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -869.198546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.198546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.198546 (E_RNA) where: Base-Base interactions energy: -577.399 where: short stacking energy: -236.943 Base-Backbone interact. energy: 0.713 local terms energy: -292.513198 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -70.022 flat angles C4'-P-C4' energy: -64.770 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -59.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -751.298169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.298169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.298169 (E_RNA) where: Base-Base interactions energy: -482.750 where: short stacking energy: -212.352 Base-Backbone interact. energy: -1.415 local terms energy: -267.133605 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -52.696 flat angles C4'-P-C4' energy: -58.412 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -49.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -513.055802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.055802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.055802 (E_RNA) where: Base-Base interactions energy: -271.606 where: short stacking energy: -160.914 Base-Backbone interact. energy: -1.082 local terms energy: -240.368291 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -72.891 flat angles C4'-P-C4' energy: -55.631 flat angles P-C4'-P energy: -25.410 tors. eta vs tors. theta energy: -29.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -316.512676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.512676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.512676 (E_RNA) where: Base-Base interactions energy: -137.196 where: short stacking energy: -100.659 Base-Backbone interact. energy: -1.623 local terms energy: -177.693472 where: bonds (distance) C4'-P energy: -53.588 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -48.711 flat angles P-C4'-P energy: -22.609 tors. eta vs tors. theta energy: 2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -305.567821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.567821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.567821 (E_RNA) where: Base-Base interactions energy: -116.676 where: short stacking energy: -110.222 Base-Backbone interact. energy: 3.844 local terms energy: -192.735843 where: bonds (distance) C4'-P energy: -44.343 bonds (distance) P-C4' energy: -58.542 flat angles C4'-P-C4' energy: -59.340 flat angles P-C4'-P energy: -31.233 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1136.832061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.832061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.832061 (E_RNA) where: Base-Base interactions energy: -766.706 where: short stacking energy: -316.159 Base-Backbone interact. energy: -1.334 local terms energy: -368.791882 where: bonds (distance) C4'-P energy: -68.948 bonds (distance) P-C4' energy: -76.095 flat angles C4'-P-C4' energy: -78.383 flat angles P-C4'-P energy: -55.348 tors. eta vs tors. theta energy: -90.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1124.539447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.539447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.539447 (E_RNA) where: Base-Base interactions energy: -749.833 where: short stacking energy: -336.612 Base-Backbone interact. energy: -1.062 local terms energy: -373.643659 where: bonds (distance) C4'-P energy: -76.296 bonds (distance) P-C4' energy: -63.400 flat angles C4'-P-C4' energy: -83.356 flat angles P-C4'-P energy: -52.944 tors. eta vs tors. theta energy: -97.646 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: 473 Temperature: 1.000000 Total energy: -1002.766990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.766990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.766990 (E_RNA) where: Base-Base interactions energy: -663.159 where: short stacking energy: -296.652 Base-Backbone interact. energy: 0.531 local terms energy: -340.139639 where: bonds (distance) C4'-P energy: -60.174 bonds (distance) P-C4' energy: -70.790 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -76.953 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: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -973.166471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.166471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.166471 (E_RNA) where: Base-Base interactions energy: -636.439 where: short stacking energy: -305.276 Base-Backbone interact. energy: -0.985 local terms energy: -335.742766 where: bonds (distance) C4'-P energy: -57.462 bonds (distance) P-C4' energy: -70.821 flat angles C4'-P-C4' energy: -70.873 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -89.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -948.493781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.493781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.493781 (E_RNA) where: Base-Base interactions energy: -632.844 where: short stacking energy: -303.460 Base-Backbone interact. energy: -2.349 local terms energy: -313.301509 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -64.903 flat angles P-C4'-P energy: -41.903 tors. eta vs tors. theta energy: -85.761 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: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -862.019850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.019850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.019850 (E_RNA) where: Base-Base interactions energy: -571.343 where: short stacking energy: -261.829 Base-Backbone interact. energy: -0.038 local terms energy: -290.638582 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -30.469 tors. eta vs tors. theta energy: -71.641 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: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -745.677380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.677380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.677380 (E_RNA) where: Base-Base interactions energy: -490.830 where: short stacking energy: -184.864 Base-Backbone interact. energy: -1.076 local terms energy: -253.770685 where: bonds (distance) C4'-P energy: -51.997 bonds (distance) P-C4' energy: -72.987 flat angles C4'-P-C4' energy: -68.976 flat angles P-C4'-P energy: -32.867 tors. eta vs tors. theta energy: -26.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -469.491027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.491027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.491027 (E_RNA) where: Base-Base interactions energy: -255.579 where: short stacking energy: -141.649 Base-Backbone interact. energy: -1.125 local terms energy: -212.787188 where: bonds (distance) C4'-P energy: -64.923 bonds (distance) P-C4' energy: -51.632 flat angles C4'-P-C4' energy: -44.636 flat angles P-C4'-P energy: -37.513 tors. eta vs tors. theta energy: -14.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -341.102302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.102302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.102302 (E_RNA) where: Base-Base interactions energy: -145.774 where: short stacking energy: -105.127 Base-Backbone interact. energy: 1.004 local terms energy: -196.332236 where: bonds (distance) C4'-P energy: -44.973 bonds (distance) P-C4' energy: -75.009 flat angles C4'-P-C4' energy: -47.783 flat angles P-C4'-P energy: -30.034 tors. eta vs tors. theta energy: 1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -286.939516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.939516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.939516 (E_RNA) where: Base-Base interactions energy: -101.016 where: short stacking energy: -86.165 Base-Backbone interact. energy: -1.174 local terms energy: -184.749107 where: bonds (distance) C4'-P energy: -65.486 bonds (distance) P-C4' energy: -47.553 flat angles C4'-P-C4' energy: -46.990 flat angles P-C4'-P energy: -28.938 tors. eta vs tors. theta energy: 4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1137.232029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.232029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.232029 (E_RNA) where: Base-Base interactions energy: -786.678 where: short stacking energy: -344.735 Base-Backbone interact. energy: 0.469 local terms energy: -351.022278 where: bonds (distance) C4'-P energy: -63.282 bonds (distance) P-C4' energy: -73.319 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -49.107 tors. eta vs tors. theta energy: -92.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1092.245861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.245861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.245861 (E_RNA) where: Base-Base interactions energy: -722.849 where: short stacking energy: -334.901 Base-Backbone interact. energy: -1.320 local terms energy: -368.077260 where: bonds (distance) C4'-P energy: -59.738 bonds (distance) P-C4' energy: -68.294 flat angles C4'-P-C4' energy: -77.809 flat angles P-C4'-P energy: -58.230 tors. eta vs tors. theta energy: -104.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -996.592563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.592563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.592563 (E_RNA) where: Base-Base interactions energy: -652.381 where: short stacking energy: -304.178 Base-Backbone interact. energy: -2.301 local terms energy: -341.911018 where: bonds (distance) C4'-P energy: -66.012 bonds (distance) P-C4' energy: -61.935 flat angles C4'-P-C4' energy: -72.902 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: -88.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -982.900725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.900725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.900725 (E_RNA) where: Base-Base interactions energy: -641.927 where: short stacking energy: -308.484 Base-Backbone interact. energy: 0.065 local terms energy: -341.038543 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -73.026 flat angles P-C4'-P energy: -45.932 tors. eta vs tors. theta energy: -94.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -931.695522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.695522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.695522 (E_RNA) where: Base-Base interactions energy: -602.844 where: short stacking energy: -287.157 Base-Backbone interact. energy: -3.001 local terms energy: -325.850569 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -66.646 flat angles C4'-P-C4' energy: -65.072 flat angles P-C4'-P energy: -48.445 tors. eta vs tors. theta energy: -77.154 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: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -847.036906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.036906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.036906 (E_RNA) where: Base-Base interactions energy: -552.308 where: short stacking energy: -234.500 Base-Backbone interact. energy: -1.852 local terms energy: -292.877016 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -68.070 flat angles C4'-P-C4' energy: -54.015 flat angles P-C4'-P energy: -54.670 tors. eta vs tors. theta energy: -59.478 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: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -750.599253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.599253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.599253 (E_RNA) where: Base-Base interactions energy: -482.589 where: short stacking energy: -218.740 Base-Backbone interact. energy: -0.961 local terms energy: -267.049793 where: bonds (distance) C4'-P energy: -51.410 bonds (distance) P-C4' energy: -61.468 flat angles C4'-P-C4' energy: -74.154 flat angles P-C4'-P energy: -37.248 tors. eta vs tors. theta energy: -42.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -460.940250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.940250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.940250 (E_RNA) where: Base-Base interactions energy: -245.499 where: short stacking energy: -143.514 Base-Backbone interact. energy: -1.417 local terms energy: -214.024511 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -64.044 flat angles C4'-P-C4' energy: -46.623 flat angles P-C4'-P energy: -30.505 tors. eta vs tors. theta energy: -16.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -399.581565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.581565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.581565 (E_RNA) where: Base-Base interactions energy: -190.755 where: short stacking energy: -117.590 Base-Backbone interact. energy: -0.140 local terms energy: -208.686451 where: bonds (distance) C4'-P energy: -47.804 bonds (distance) P-C4' energy: -52.246 flat angles C4'-P-C4' energy: -59.972 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -289.969878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.969878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.969878 (E_RNA) where: Base-Base interactions energy: -115.461 where: short stacking energy: -82.271 Base-Backbone interact. energy: 0.341 local terms energy: -174.849878 where: bonds (distance) C4'-P energy: -60.323 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -45.343 flat angles P-C4'-P energy: -20.558 tors. eta vs tors. theta energy: 12.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1130.913865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.913865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.913865 (E_RNA) where: Base-Base interactions energy: -776.575 where: short stacking energy: -324.511 Base-Backbone interact. energy: -1.351 local terms energy: -352.987289 where: bonds (distance) C4'-P energy: -61.074 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -93.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1090.275420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.275420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.275420 (E_RNA) where: Base-Base interactions energy: -726.689 where: short stacking energy: -337.429 Base-Backbone interact. energy: -1.567 local terms energy: -362.019375 where: bonds (distance) C4'-P energy: -60.117 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -79.851 flat angles P-C4'-P energy: -52.266 tors. eta vs tors. theta energy: -100.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -986.694865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.694865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.694865 (E_RNA) where: Base-Base interactions energy: -643.761 where: short stacking energy: -302.513 Base-Backbone interact. energy: -0.420 local terms energy: -342.514417 where: bonds (distance) C4'-P energy: -62.700 bonds (distance) P-C4' energy: -72.229 flat angles C4'-P-C4' energy: -76.888 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -83.865 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: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -972.724211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.724211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.724211 (E_RNA) where: Base-Base interactions energy: -644.644 where: short stacking energy: -313.156 Base-Backbone interact. energy: -1.562 local terms energy: -326.517762 where: bonds (distance) C4'-P energy: -59.728 bonds (distance) P-C4' energy: -64.338 flat angles C4'-P-C4' energy: -70.103 flat angles P-C4'-P energy: -49.091 tors. eta vs tors. theta energy: -83.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -976.430026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.430026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.430026 (E_RNA) where: Base-Base interactions energy: -647.902 where: short stacking energy: -303.730 Base-Backbone interact. energy: -3.312 local terms energy: -325.215302 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -59.246 flat angles C4'-P-C4' energy: -68.919 flat angles P-C4'-P energy: -36.920 tors. eta vs tors. theta energy: -92.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -833.348181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.348181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.348181 (E_RNA) where: Base-Base interactions energy: -538.044 where: short stacking energy: -262.075 Base-Backbone interact. energy: -0.681 local terms energy: -294.623429 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -55.414 flat angles C4'-P-C4' energy: -56.834 flat angles P-C4'-P energy: -42.842 tors. eta vs tors. theta energy: -71.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -728.111646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.111646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.111646 (E_RNA) where: Base-Base interactions energy: -476.630 where: short stacking energy: -204.604 Base-Backbone interact. energy: -2.890 local terms energy: -248.591343 where: bonds (distance) C4'-P energy: -59.471 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -51.144 flat angles P-C4'-P energy: -38.595 tors. eta vs tors. theta energy: -39.781 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: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -457.819393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.819393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.819393 (E_RNA) where: Base-Base interactions energy: -236.843 where: short stacking energy: -139.742 Base-Backbone interact. energy: -0.861 local terms energy: -220.115034 where: bonds (distance) C4'-P energy: -57.514 bonds (distance) P-C4' energy: -51.529 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -28.873 tors. eta vs tors. theta energy: -23.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -446.503581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.503581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.503581 (E_RNA) where: Base-Base interactions energy: -252.930 where: short stacking energy: -120.424 Base-Backbone interact. energy: -1.726 local terms energy: -191.848110 where: bonds (distance) C4'-P energy: -49.780 bonds (distance) P-C4' energy: -52.747 flat angles C4'-P-C4' energy: -51.768 flat angles P-C4'-P energy: -29.118 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -300.252695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.252695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.252695 (E_RNA) where: Base-Base interactions energy: -98.658 where: short stacking energy: -81.814 Base-Backbone interact. energy: 5.443 local terms energy: -207.037988 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -60.489 flat angles P-C4'-P energy: -27.810 tors. eta vs tors. theta energy: -1.055 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: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1137.847391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.847391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.847391 (E_RNA) where: Base-Base interactions energy: -787.116 where: short stacking energy: -323.587 Base-Backbone interact. energy: -3.802 local terms energy: -346.929747 where: bonds (distance) C4'-P energy: -66.870 bonds (distance) P-C4' energy: -67.124 flat angles C4'-P-C4' energy: -73.491 flat angles P-C4'-P energy: -55.265 tors. eta vs tors. theta energy: -84.179 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: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1091.098811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.098811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.098811 (E_RNA) where: Base-Base interactions energy: -728.586 where: short stacking energy: -337.504 Base-Backbone interact. energy: -0.039 local terms energy: -362.473006 where: bonds (distance) C4'-P energy: -74.398 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -81.934 flat angles P-C4'-P energy: -52.607 tors. eta vs tors. theta energy: -94.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1000.349620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.349620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.349620 (E_RNA) where: Base-Base interactions energy: -661.196 where: short stacking energy: -316.006 Base-Backbone interact. energy: -1.273 local terms energy: -337.881044 where: bonds (distance) C4'-P energy: -58.799 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -70.208 flat angles P-C4'-P energy: -51.279 tors. eta vs tors. theta energy: -90.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -974.927344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.927344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.927344 (E_RNA) where: Base-Base interactions energy: -651.807 where: short stacking energy: -300.290 Base-Backbone interact. energy: -1.806 local terms energy: -321.314412 where: bonds (distance) C4'-P energy: -61.917 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -67.000 flat angles P-C4'-P energy: -39.428 tors. eta vs tors. theta energy: -93.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -931.668143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.668143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.668143 (E_RNA) where: Base-Base interactions energy: -620.769 where: short stacking energy: -285.628 Base-Backbone interact. energy: -0.695 local terms energy: -310.203794 where: bonds (distance) C4'-P energy: -66.044 bonds (distance) P-C4' energy: -60.844 flat angles C4'-P-C4' energy: -68.452 flat angles P-C4'-P energy: -38.863 tors. eta vs tors. theta energy: -76.001 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: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -827.998439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.998439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.998439 (E_RNA) where: Base-Base interactions energy: -531.216 where: short stacking energy: -244.468 Base-Backbone interact. energy: -0.680 local terms energy: -296.102029 where: bonds (distance) C4'-P energy: -51.962 bonds (distance) P-C4' energy: -68.320 flat angles C4'-P-C4' energy: -63.734 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: -70.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -744.778603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.778603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.778603 (E_RNA) where: Base-Base interactions energy: -456.167 where: short stacking energy: -212.355 Base-Backbone interact. energy: -0.585 local terms energy: -288.027222 where: bonds (distance) C4'-P energy: -65.702 bonds (distance) P-C4' energy: -63.796 flat angles C4'-P-C4' energy: -64.610 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -48.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -461.207883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.207883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.207883 (E_RNA) where: Base-Base interactions energy: -249.858 where: short stacking energy: -144.007 Base-Backbone interact. energy: 1.222 local terms energy: -212.571521 where: bonds (distance) C4'-P energy: -50.512 bonds (distance) P-C4' energy: -56.342 flat angles C4'-P-C4' energy: -56.758 flat angles P-C4'-P energy: -21.635 tors. eta vs tors. theta energy: -27.325 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: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -347.949068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.949068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.949068 (E_RNA) where: Base-Base interactions energy: -160.155 where: short stacking energy: -83.592 Base-Backbone interact. energy: 1.418 local terms energy: -189.211532 where: bonds (distance) C4'-P energy: -59.802 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -50.277 flat angles P-C4'-P energy: -27.489 tors. eta vs tors. theta energy: 5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -287.418595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.418595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.418595 (E_RNA) where: Base-Base interactions energy: -111.323 where: short stacking energy: -102.083 Base-Backbone interact. energy: -0.735 local terms energy: -175.359651 where: bonds (distance) C4'-P energy: -53.206 bonds (distance) P-C4' energy: -54.379 flat angles C4'-P-C4' energy: -46.095 flat angles P-C4'-P energy: -22.824 tors. eta vs tors. theta energy: 1.143 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: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1135.211235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.211235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.211235 (E_RNA) where: Base-Base interactions energy: -777.946 where: short stacking energy: -303.704 Base-Backbone interact. energy: -1.791 local terms energy: -355.474294 where: bonds (distance) C4'-P energy: -73.044 bonds (distance) P-C4' energy: -71.019 flat angles C4'-P-C4' energy: -77.741 flat angles P-C4'-P energy: -47.244 tors. eta vs tors. theta energy: -86.426 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: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1066.640217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.640217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.640217 (E_RNA) where: Base-Base interactions energy: -723.205 where: short stacking energy: -327.498 Base-Backbone interact. energy: -0.918 local terms energy: -342.517707 where: bonds (distance) C4'-P energy: -60.519 bonds (distance) P-C4' energy: -62.909 flat angles C4'-P-C4' energy: -82.790 flat angles P-C4'-P energy: -48.226 tors. eta vs tors. theta energy: -88.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -995.175570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.175570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.175570 (E_RNA) where: Base-Base interactions energy: -654.047 where: short stacking energy: -288.895 Base-Backbone interact. energy: -2.293 local terms energy: -338.835571 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -70.313 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -54.188 tors. eta vs tors. theta energy: -84.143 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: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -981.465678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.465678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.465678 (E_RNA) where: Base-Base interactions energy: -654.781 where: short stacking energy: -300.972 Base-Backbone interact. energy: -1.871 local terms energy: -324.814213 where: bonds (distance) C4'-P energy: -65.169 bonds (distance) P-C4' energy: -51.297 flat angles C4'-P-C4' energy: -67.562 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -94.592 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: 477 Temperature: 1.100000 Total energy: -927.999868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.999868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.999868 (E_RNA) where: Base-Base interactions energy: -625.562 where: short stacking energy: -281.956 Base-Backbone interact. energy: 2.738 local terms energy: -305.176700 where: bonds (distance) C4'-P energy: -54.263 bonds (distance) P-C4' energy: -56.204 flat angles C4'-P-C4' energy: -67.241 flat angles P-C4'-P energy: -49.280 tors. eta vs tors. theta energy: -78.188 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: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -834.541026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.541026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.541026 (E_RNA) where: Base-Base interactions energy: -536.502 where: short stacking energy: -237.964 Base-Backbone interact. energy: -1.501 local terms energy: -296.538156 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -68.396 flat angles C4'-P-C4' energy: -64.719 flat angles P-C4'-P energy: -38.561 tors. eta vs tors. theta energy: -63.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -713.258825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.258825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.258825 (E_RNA) where: Base-Base interactions energy: -438.853 where: short stacking energy: -202.509 Base-Backbone interact. energy: -0.355 local terms energy: -274.050825 where: bonds (distance) C4'-P energy: -68.494 bonds (distance) P-C4' energy: -60.743 flat angles C4'-P-C4' energy: -62.878 flat angles P-C4'-P energy: -34.031 tors. eta vs tors. theta energy: -47.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -485.242504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.242504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.242504 (E_RNA) where: Base-Base interactions energy: -267.233 where: short stacking energy: -152.321 Base-Backbone interact. energy: 0.789 local terms energy: -218.798157 where: bonds (distance) C4'-P energy: -49.997 bonds (distance) P-C4' energy: -57.065 flat angles C4'-P-C4' energy: -56.154 flat angles P-C4'-P energy: -37.389 tors. eta vs tors. theta energy: -18.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -310.311986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.311986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.311986 (E_RNA) where: Base-Base interactions energy: -118.861 where: short stacking energy: -93.806 Base-Backbone interact. energy: 0.505 local terms energy: -191.955771 where: bonds (distance) C4'-P energy: -56.363 bonds (distance) P-C4' energy: -58.125 flat angles C4'-P-C4' energy: -52.106 flat angles P-C4'-P energy: -23.907 tors. eta vs tors. theta energy: -1.455 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: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -307.378153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.378153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.378153 (E_RNA) where: Base-Base interactions energy: -122.600 where: short stacking energy: -80.640 Base-Backbone interact. energy: -2.596 local terms energy: -182.182076 where: bonds (distance) C4'-P energy: -49.026 bonds (distance) P-C4' energy: -61.289 flat angles C4'-P-C4' energy: -38.802 flat angles P-C4'-P energy: -32.298 tors. eta vs tors. theta energy: -0.767 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: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1134.071231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.071231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.071231 (E_RNA) where: Base-Base interactions energy: -777.545 where: short stacking energy: -321.151 Base-Backbone interact. energy: 1.986 local terms energy: -358.512210 where: bonds (distance) C4'-P energy: -67.281 bonds (distance) P-C4' energy: -68.991 flat angles C4'-P-C4' energy: -80.317 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -87.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1069.164972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.164972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.164972 (E_RNA) where: Base-Base interactions energy: -712.078 where: short stacking energy: -329.056 Base-Backbone interact. energy: -0.542 local terms energy: -356.544785 where: bonds (distance) C4'-P energy: -69.695 bonds (distance) P-C4' energy: -72.994 flat angles C4'-P-C4' energy: -67.924 flat angles P-C4'-P energy: -44.578 tors. eta vs tors. theta energy: -101.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1003.614712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.614712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.614712 (E_RNA) where: Base-Base interactions energy: -662.324 where: short stacking energy: -304.012 Base-Backbone interact. energy: -1.282 local terms energy: -340.008937 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -73.337 flat angles P-C4'-P energy: -49.465 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: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -994.717156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.717156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.717156 (E_RNA) where: Base-Base interactions energy: -676.900 where: short stacking energy: -306.663 Base-Backbone interact. energy: 1.175 local terms energy: -318.992116 where: bonds (distance) C4'-P energy: -54.607 bonds (distance) P-C4' energy: -71.361 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -40.754 tors. eta vs tors. theta energy: -88.557 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: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -976.041226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.041226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.041226 (E_RNA) where: Base-Base interactions energy: -644.931 where: short stacking energy: -305.919 Base-Backbone interact. energy: -1.030 local terms energy: -330.080306 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -77.874 flat angles P-C4'-P energy: -45.267 tors. eta vs tors. theta energy: -81.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -804.664006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.664006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.664006 (E_RNA) where: Base-Base interactions energy: -537.370 where: short stacking energy: -235.431 Base-Backbone interact. energy: -1.229 local terms energy: -266.065358 where: bonds (distance) C4'-P energy: -55.171 bonds (distance) P-C4' energy: -56.033 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -32.237 tors. eta vs tors. theta energy: -56.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -768.022324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.022324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.022324 (E_RNA) where: Base-Base interactions energy: -488.847 where: short stacking energy: -228.291 Base-Backbone interact. energy: -0.964 local terms energy: -278.211664 where: bonds (distance) C4'-P energy: -52.283 bonds (distance) P-C4' energy: -67.380 flat angles C4'-P-C4' energy: -69.732 flat angles P-C4'-P energy: -29.238 tors. eta vs tors. theta energy: -59.579 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: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -484.930113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.930113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.930113 (E_RNA) where: Base-Base interactions energy: -255.681 where: short stacking energy: -133.274 Base-Backbone interact. energy: -0.794 local terms energy: -228.454474 where: bonds (distance) C4'-P energy: -50.083 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -62.218 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -18.613 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: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -329.938362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.938362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.938362 (E_RNA) where: Base-Base interactions energy: -122.041 where: short stacking energy: -92.804 Base-Backbone interact. energy: -0.140 local terms energy: -207.757201 where: bonds (distance) C4'-P energy: -53.445 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -22.226 tors. eta vs tors. theta energy: 0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -278.956130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.956130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.956130 (E_RNA) where: Base-Base interactions energy: -100.969 where: short stacking energy: -74.853 Base-Backbone interact. energy: -1.212 local terms energy: -176.774819 where: bonds (distance) C4'-P energy: -54.426 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -43.764 flat angles P-C4'-P energy: -30.029 tors. eta vs tors. theta energy: 5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1131.051824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.051824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.051824 (E_RNA) where: Base-Base interactions energy: -766.115 where: short stacking energy: -308.263 Base-Backbone interact. energy: 4.966 local terms energy: -369.902980 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -68.310 flat angles C4'-P-C4' energy: -74.353 flat angles P-C4'-P energy: -53.281 tors. eta vs tors. theta energy: -95.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1077.025424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.025424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.025424 (E_RNA) where: Base-Base interactions energy: -740.343 where: short stacking energy: -343.006 Base-Backbone interact. energy: -1.386 local terms energy: -335.295723 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -56.750 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -94.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1006.036062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.036062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.036062 (E_RNA) where: Base-Base interactions energy: -666.453 where: short stacking energy: -313.220 Base-Backbone interact. energy: -0.617 local terms energy: -338.966150 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -66.064 flat angles C4'-P-C4' energy: -74.060 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -89.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -988.298254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.298254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.298254 (E_RNA) where: Base-Base interactions energy: -655.704 where: short stacking energy: -301.716 Base-Backbone interact. energy: -0.967 local terms energy: -331.627761 where: bonds (distance) C4'-P energy: -68.429 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -69.634 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -80.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -940.251888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.251888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.251888 (E_RNA) where: Base-Base interactions energy: -611.554 where: short stacking energy: -264.651 Base-Backbone interact. energy: -1.857 local terms energy: -326.841629 where: bonds (distance) C4'-P energy: -57.240 bonds (distance) P-C4' energy: -74.686 flat angles C4'-P-C4' energy: -68.531 flat angles P-C4'-P energy: -42.265 tors. eta vs tors. theta energy: -84.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -764.556474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.556474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.556474 (E_RNA) where: Base-Base interactions energy: -482.559 where: short stacking energy: -224.450 Base-Backbone interact. energy: -1.030 local terms energy: -280.967583 where: bonds (distance) C4'-P energy: -55.069 bonds (distance) P-C4' energy: -66.931 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -38.811 tors. eta vs tors. theta energy: -54.439 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: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -804.450175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.450175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.450175 (E_RNA) where: Base-Base interactions energy: -518.236 where: short stacking energy: -229.201 Base-Backbone interact. energy: 0.136 local terms energy: -286.349451 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -64.150 flat angles C4'-P-C4' energy: -59.411 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: -57.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -457.629463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.629463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.629463 (E_RNA) where: Base-Base interactions energy: -247.707 where: short stacking energy: -130.593 Base-Backbone interact. energy: -0.480 local terms energy: -209.443239 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -52.961 flat angles C4'-P-C4' energy: -53.561 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: -21.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -323.480330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.480330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.480330 (E_RNA) where: Base-Base interactions energy: -144.968 where: short stacking energy: -74.020 Base-Backbone interact. energy: 2.408 local terms energy: -180.920615 where: bonds (distance) C4'-P energy: -60.204 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -48.311 flat angles P-C4'-P energy: -30.897 tors. eta vs tors. theta energy: 20.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -297.903352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.903352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.903352 (E_RNA) where: Base-Base interactions energy: -136.169 where: short stacking energy: -105.571 Base-Backbone interact. energy: 1.274 local terms energy: -163.008261 where: bonds (distance) C4'-P energy: -37.591 bonds (distance) P-C4' energy: -59.075 flat angles C4'-P-C4' energy: -51.063 flat angles P-C4'-P energy: -18.193 tors. eta vs tors. theta energy: 2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1120.222018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.222018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.222018 (E_RNA) where: Base-Base interactions energy: -756.430 where: short stacking energy: -312.677 Base-Backbone interact. energy: -2.206 local terms energy: -361.586951 where: bonds (distance) C4'-P energy: -70.752 bonds (distance) P-C4' energy: -71.860 flat angles C4'-P-C4' energy: -73.862 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -89.946 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: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1065.704087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.704087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.704087 (E_RNA) where: Base-Base interactions energy: -706.826 where: short stacking energy: -324.960 Base-Backbone interact. energy: -1.651 local terms energy: -357.227189 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -71.942 flat angles C4'-P-C4' energy: -76.512 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -96.355 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: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -995.150443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.150443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.150443 (E_RNA) where: Base-Base interactions energy: -654.184 where: short stacking energy: -310.363 Base-Backbone interact. energy: -1.635 local terms energy: -339.331404 where: bonds (distance) C4'-P energy: -60.668 bonds (distance) P-C4' energy: -77.138 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -86.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -998.363140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.363140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.363140 (E_RNA) where: Base-Base interactions energy: -664.460 where: short stacking energy: -298.642 Base-Backbone interact. energy: -0.160 local terms energy: -333.743536 where: bonds (distance) C4'-P energy: -54.038 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -77.638 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -91.504 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: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -919.480577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.480577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.480577 (E_RNA) where: Base-Base interactions energy: -615.254 where: short stacking energy: -275.729 Base-Backbone interact. energy: 0.163 local terms energy: -304.390140 where: bonds (distance) C4'-P energy: -59.342 bonds (distance) P-C4' energy: -59.441 flat angles C4'-P-C4' energy: -70.086 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -72.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -809.462768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.462768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.462768 (E_RNA) where: Base-Base interactions energy: -525.319 where: short stacking energy: -272.846 Base-Backbone interact. energy: -2.548 local terms energy: -281.595540 where: bonds (distance) C4'-P energy: -60.535 bonds (distance) P-C4' energy: -48.984 flat angles C4'-P-C4' energy: -61.067 flat angles P-C4'-P energy: -37.859 tors. eta vs tors. theta energy: -73.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -803.936787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.936787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.936787 (E_RNA) where: Base-Base interactions energy: -535.452 where: short stacking energy: -224.511 Base-Backbone interact. energy: 0.156 local terms energy: -268.641514 where: bonds (distance) C4'-P energy: -58.821 bonds (distance) P-C4' energy: -66.473 flat angles C4'-P-C4' energy: -56.239 flat angles P-C4'-P energy: -37.784 tors. eta vs tors. theta energy: -49.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -479.707347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.707347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.707347 (E_RNA) where: Base-Base interactions energy: -243.030 where: short stacking energy: -145.579 Base-Backbone interact. energy: -2.203 local terms energy: -234.474263 where: bonds (distance) C4'-P energy: -49.601 bonds (distance) P-C4' energy: -63.156 flat angles C4'-P-C4' energy: -57.148 flat angles P-C4'-P energy: -31.271 tors. eta vs tors. theta energy: -33.298 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: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -319.428206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.428206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.428206 (E_RNA) where: Base-Base interactions energy: -126.934 where: short stacking energy: -86.412 Base-Backbone interact. energy: -0.757 local terms energy: -191.737442 where: bonds (distance) C4'-P energy: -54.867 bonds (distance) P-C4' energy: -72.022 flat angles C4'-P-C4' energy: -45.629 flat angles P-C4'-P energy: -27.397 tors. eta vs tors. theta energy: 8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -300.940395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.940395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.940395 (E_RNA) where: Base-Base interactions energy: -95.706 where: short stacking energy: -91.065 Base-Backbone interact. energy: 1.849 local terms energy: -207.083350 where: bonds (distance) C4'-P energy: -64.259 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -53.351 flat angles P-C4'-P energy: -29.536 tors. eta vs tors. theta energy: 2.822 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: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1121.243745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.243745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.243745 (E_RNA) where: Base-Base interactions energy: -780.011 where: short stacking energy: -307.484 Base-Backbone interact. energy: -0.497 local terms energy: -340.735610 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -64.687 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -87.477 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: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1075.881536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.881536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.881536 (E_RNA) where: Base-Base interactions energy: -717.150 where: short stacking energy: -333.132 Base-Backbone interact. energy: -1.540 local terms energy: -357.191317 where: bonds (distance) C4'-P energy: -67.627 bonds (distance) P-C4' energy: -67.880 flat angles C4'-P-C4' energy: -74.569 flat angles P-C4'-P energy: -46.613 tors. eta vs tors. theta energy: -100.502 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: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -985.063008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.063008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.063008 (E_RNA) where: Base-Base interactions energy: -648.255 where: short stacking energy: -306.266 Base-Backbone interact. energy: 1.283 local terms energy: -338.091013 where: bonds (distance) C4'-P energy: -76.289 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -41.669 tors. eta vs tors. theta energy: -86.973 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: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -980.772743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.772743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.772743 (E_RNA) where: Base-Base interactions energy: -648.593 where: short stacking energy: -306.596 Base-Backbone interact. energy: -0.115 local terms energy: -332.064921 where: bonds (distance) C4'-P energy: -68.883 bonds (distance) P-C4' energy: -58.806 flat angles C4'-P-C4' energy: -73.007 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -83.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -912.686358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.686358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.686358 (E_RNA) where: Base-Base interactions energy: -600.543 where: short stacking energy: -268.076 Base-Backbone interact. energy: -1.908 local terms energy: -310.235026 where: bonds (distance) C4'-P energy: -63.433 bonds (distance) P-C4' energy: -50.427 flat angles C4'-P-C4' energy: -71.697 flat angles P-C4'-P energy: -48.099 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: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -809.406055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.406055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.406055 (E_RNA) where: Base-Base interactions energy: -550.662 where: short stacking energy: -237.604 Base-Backbone interact. energy: -0.826 local terms energy: -257.918270 where: bonds (distance) C4'-P energy: -45.904 bonds (distance) P-C4' energy: -62.950 flat angles C4'-P-C4' energy: -63.727 flat angles P-C4'-P energy: -27.640 tors. eta vs tors. theta energy: -57.698 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: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -781.691221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.691221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.691221 (E_RNA) where: Base-Base interactions energy: -500.300 where: short stacking energy: -225.195 Base-Backbone interact. energy: -1.896 local terms energy: -279.495986 where: bonds (distance) C4'-P energy: -62.619 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -59.117 flat angles P-C4'-P energy: -42.246 tors. eta vs tors. theta energy: -57.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -321.677885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.677885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.677885 (E_RNA) where: Base-Base interactions energy: -128.801 where: short stacking energy: -84.028 Base-Backbone interact. energy: 6.266 local terms energy: -199.142574 where: bonds (distance) C4'-P energy: -54.636 bonds (distance) P-C4' energy: -68.053 flat angles C4'-P-C4' energy: -50.119 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: 8.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -413.560369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.560369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.560369 (E_RNA) where: Base-Base interactions energy: -213.385 where: short stacking energy: -120.926 Base-Backbone interact. energy: -0.351 local terms energy: -199.824959 where: bonds (distance) C4'-P energy: -55.033 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -48.801 flat angles P-C4'-P energy: -30.597 tors. eta vs tors. theta energy: -3.695 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: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -292.268084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.268084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.268084 (E_RNA) where: Base-Base interactions energy: -106.639 where: short stacking energy: -83.038 Base-Backbone interact. energy: 2.252 local terms energy: -187.881148 where: bonds (distance) C4'-P energy: -52.373 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -39.589 flat angles P-C4'-P energy: -32.369 tors. eta vs tors. theta energy: 4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1139.852721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.852721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.852721 (E_RNA) where: Base-Base interactions energy: -779.831 where: short stacking energy: -308.410 Base-Backbone interact. energy: 1.388 local terms energy: -361.409925 where: bonds (distance) C4'-P energy: -80.372 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -74.745 flat angles P-C4'-P energy: -54.371 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: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1065.302732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.302732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.302732 (E_RNA) where: Base-Base interactions energy: -717.201 where: short stacking energy: -322.193 Base-Backbone interact. energy: -1.983 local terms energy: -346.118535 where: bonds (distance) C4'-P energy: -63.326 bonds (distance) P-C4' energy: -69.116 flat angles C4'-P-C4' energy: -71.090 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -90.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1009.866776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.866776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.866776 (E_RNA) where: Base-Base interactions energy: -669.014 where: short stacking energy: -311.928 Base-Backbone interact. energy: 3.501 local terms energy: -344.354206 where: bonds (distance) C4'-P energy: -59.686 bonds (distance) P-C4' energy: -72.212 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -85.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -961.288913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.288913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.288913 (E_RNA) where: Base-Base interactions energy: -627.797 where: short stacking energy: -286.588 Base-Backbone interact. energy: -1.599 local terms energy: -331.892486 where: bonds (distance) C4'-P energy: -62.283 bonds (distance) P-C4' energy: -71.836 flat angles C4'-P-C4' energy: -73.073 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -78.701 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: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -895.629660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.629660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.629660 (E_RNA) where: Base-Base interactions energy: -595.698 where: short stacking energy: -272.090 Base-Backbone interact. energy: -1.228 local terms energy: -298.703262 where: bonds (distance) C4'-P energy: -64.713 bonds (distance) P-C4' energy: -50.246 flat angles C4'-P-C4' energy: -68.781 flat angles P-C4'-P energy: -45.156 tors. eta vs tors. theta energy: -69.807 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: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -794.668568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.668568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.668568 (E_RNA) where: Base-Base interactions energy: -534.124 where: short stacking energy: -213.315 Base-Backbone interact. energy: 4.285 local terms energy: -264.829825 where: bonds (distance) C4'-P energy: -62.595 bonds (distance) P-C4' energy: -57.575 flat angles C4'-P-C4' energy: -57.593 flat angles P-C4'-P energy: -41.992 tors. eta vs tors. theta energy: -45.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -746.063010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.063010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.063010 (E_RNA) where: Base-Base interactions energy: -485.007 where: short stacking energy: -215.409 Base-Backbone interact. energy: 1.321 local terms energy: -262.376488 where: bonds (distance) C4'-P energy: -56.038 bonds (distance) P-C4' energy: -46.970 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -44.046 tors. eta vs tors. theta energy: -49.564 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: 4 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -362.656242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.656242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.656242 (E_RNA) where: Base-Base interactions energy: -138.022 where: short stacking energy: -110.397 Base-Backbone interact. energy: -1.145 local terms energy: -223.488793 where: bonds (distance) C4'-P energy: -49.964 bonds (distance) P-C4' energy: -62.298 flat angles C4'-P-C4' energy: -58.255 flat angles P-C4'-P energy: -37.894 tors. eta vs tors. theta energy: -15.078 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: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -406.623181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.623181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.623181 (E_RNA) where: Base-Base interactions energy: -198.470 where: short stacking energy: -134.982 Base-Backbone interact. energy: -0.995 local terms energy: -207.157566 where: bonds (distance) C4'-P energy: -53.472 bonds (distance) P-C4' energy: -61.815 flat angles C4'-P-C4' energy: -45.633 flat angles P-C4'-P energy: -31.052 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -304.074690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.074690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.074690 (E_RNA) where: Base-Base interactions energy: -116.123 where: short stacking energy: -79.542 Base-Backbone interact. energy: 2.035 local terms energy: -189.986538 where: bonds (distance) C4'-P energy: -54.864 bonds (distance) P-C4' energy: -62.255 flat angles C4'-P-C4' energy: -32.720 flat angles P-C4'-P energy: -42.041 tors. eta vs tors. theta energy: 1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1137.061997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.061997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.061997 (E_RNA) where: Base-Base interactions energy: -789.844 where: short stacking energy: -324.193 Base-Backbone interact. energy: -1.972 local terms energy: -345.245625 where: bonds (distance) C4'-P energy: -63.042 bonds (distance) P-C4' energy: -68.652 flat angles C4'-P-C4' energy: -80.899 flat angles P-C4'-P energy: -36.131 tors. eta vs tors. theta energy: -96.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1084.669062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.669062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.669062 (E_RNA) where: Base-Base interactions energy: -731.133 where: short stacking energy: -347.096 Base-Backbone interact. energy: -0.819 local terms energy: -352.717227 where: bonds (distance) C4'-P energy: -60.620 bonds (distance) P-C4' energy: -67.250 flat angles C4'-P-C4' energy: -80.320 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -94.881 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: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1034.514737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.514737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.514737 (E_RNA) where: Base-Base interactions energy: -677.872 where: short stacking energy: -318.755 Base-Backbone interact. energy: -0.831 local terms energy: -355.811691 where: bonds (distance) C4'-P energy: -68.025 bonds (distance) P-C4' energy: -71.139 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -45.379 tors. eta vs tors. theta energy: -93.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -945.423630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.423630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.423630 (E_RNA) where: Base-Base interactions energy: -609.487 where: short stacking energy: -283.925 Base-Backbone interact. energy: -0.929 local terms energy: -335.007020 where: bonds (distance) C4'-P energy: -65.700 bonds (distance) P-C4' energy: -73.012 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -42.544 tors. eta vs tors. theta energy: -86.113 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: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -948.712718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.712718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.712718 (E_RNA) where: Base-Base interactions energy: -620.941 where: short stacking energy: -275.510 Base-Backbone interact. energy: -2.873 local terms energy: -324.898371 where: bonds (distance) C4'-P energy: -68.994 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -74.295 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: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -724.857816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.857816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.857816 (E_RNA) where: Base-Base interactions energy: -439.974 where: short stacking energy: -216.586 Base-Backbone interact. energy: 1.413 local terms energy: -286.295971 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -48.848 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -50.576 tors. eta vs tors. theta energy: -52.571 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: 483 Temperature: 1.200000 Total energy: -845.523838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.523838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.523838 (E_RNA) where: Base-Base interactions energy: -560.672 where: short stacking energy: -250.009 Base-Backbone interact. energy: 3.697 local terms energy: -288.549330 where: bonds (distance) C4'-P energy: -60.918 bonds (distance) P-C4' energy: -44.382 flat angles C4'-P-C4' energy: -58.904 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -68.909 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: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -459.802596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.802596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.802596 (E_RNA) where: Base-Base interactions energy: -249.078 where: short stacking energy: -147.489 Base-Backbone interact. energy: -2.127 local terms energy: -208.598506 where: bonds (distance) C4'-P energy: -53.543 bonds (distance) P-C4' energy: -47.668 flat angles C4'-P-C4' energy: -46.093 flat angles P-C4'-P energy: -36.483 tors. eta vs tors. theta energy: -24.811 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: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -360.014321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.014321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.014321 (E_RNA) where: Base-Base interactions energy: -179.790 where: short stacking energy: -117.621 Base-Backbone interact. energy: -2.124 local terms energy: -178.100463 where: bonds (distance) C4'-P energy: -54.536 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -34.565 flat angles P-C4'-P energy: -21.517 tors. eta vs tors. theta energy: -3.861 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: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -280.686137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.686137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.686137 (E_RNA) where: Base-Base interactions energy: -95.326 where: short stacking energy: -83.596 Base-Backbone interact. energy: -2.415 local terms energy: -182.944981 where: bonds (distance) C4'-P energy: -46.695 bonds (distance) P-C4' energy: -56.043 flat angles C4'-P-C4' energy: -47.235 flat angles P-C4'-P energy: -35.410 tors. eta vs tors. theta energy: 2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1141.030428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.030428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.030428 (E_RNA) where: Base-Base interactions energy: -781.450 where: short stacking energy: -325.319 Base-Backbone interact. energy: -0.240 local terms energy: -359.340849 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -72.184 flat angles C4'-P-C4' energy: -73.797 flat angles P-C4'-P energy: -47.258 tors. eta vs tors. theta energy: -96.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1096.662317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.662317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.662317 (E_RNA) where: Base-Base interactions energy: -732.603 where: short stacking energy: -338.976 Base-Backbone interact. energy: -1.158 local terms energy: -362.901372 where: bonds (distance) C4'-P energy: -68.354 bonds (distance) P-C4' energy: -72.193 flat angles C4'-P-C4' energy: -73.216 flat angles P-C4'-P energy: -52.355 tors. eta vs tors. theta energy: -96.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1023.756321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.756321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.756321 (E_RNA) where: Base-Base interactions energy: -679.008 where: short stacking energy: -324.811 Base-Backbone interact. energy: -0.856 local terms energy: -343.892805 where: bonds (distance) C4'-P energy: -60.524 bonds (distance) P-C4' energy: -63.270 flat angles C4'-P-C4' energy: -76.158 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -95.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -935.140977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.140977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.140977 (E_RNA) where: Base-Base interactions energy: -607.831 where: short stacking energy: -272.193 Base-Backbone interact. energy: -0.531 local terms energy: -326.778888 where: bonds (distance) C4'-P energy: -72.611 bonds (distance) P-C4' energy: -65.667 flat angles C4'-P-C4' energy: -64.870 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -72.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -954.468571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.468571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.468571 (E_RNA) where: Base-Base interactions energy: -630.580 where: short stacking energy: -283.663 Base-Backbone interact. energy: -0.851 local terms energy: -323.037533 where: bonds (distance) C4'-P energy: -72.512 bonds (distance) P-C4' energy: -61.898 flat angles C4'-P-C4' energy: -70.788 flat angles P-C4'-P energy: -32.047 tors. eta vs tors. theta energy: -85.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -762.572970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.572970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.572970 (E_RNA) where: Base-Base interactions energy: -487.682 where: short stacking energy: -221.768 Base-Backbone interact. energy: -1.323 local terms energy: -273.568700 where: bonds (distance) C4'-P energy: -55.686 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -59.793 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -53.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -815.679952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.679952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.679952 (E_RNA) where: Base-Base interactions energy: -543.467 where: short stacking energy: -241.508 Base-Backbone interact. energy: -1.349 local terms energy: -270.864052 where: bonds (distance) C4'-P energy: -49.563 bonds (distance) P-C4' energy: -49.259 flat angles C4'-P-C4' energy: -68.268 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -58.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -463.665111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.665111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.665111 (E_RNA) where: Base-Base interactions energy: -256.080 where: short stacking energy: -160.443 Base-Backbone interact. energy: -0.284 local terms energy: -207.300483 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -67.969 flat angles C4'-P-C4' energy: -47.568 flat angles P-C4'-P energy: -14.095 tors. eta vs tors. theta energy: -21.956 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: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -332.569642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.569642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.569642 (E_RNA) where: Base-Base interactions energy: -150.544 where: short stacking energy: -109.359 Base-Backbone interact. energy: -1.156 local terms energy: -180.869714 where: bonds (distance) C4'-P energy: -64.592 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -42.722 flat angles P-C4'-P energy: -25.095 tors. eta vs tors. theta energy: 7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -313.407304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.407304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.407304 (E_RNA) where: Base-Base interactions energy: -108.454 where: short stacking energy: -76.504 Base-Backbone interact. energy: -1.072 local terms energy: -203.881428 where: bonds (distance) C4'-P energy: -59.061 bonds (distance) P-C4' energy: -65.055 flat angles C4'-P-C4' energy: -49.552 flat angles P-C4'-P energy: -29.801 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1135.535843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.535843 (E_RNA) where: Base-Base interactions energy: -768.310 where: short stacking energy: -329.222 Base-Backbone interact. energy: -1.434 local terms energy: -365.791494 where: bonds (distance) C4'-P energy: -71.622 bonds (distance) P-C4' energy: -74.263 flat angles C4'-P-C4' energy: -77.295 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: -91.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1087.891636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.891636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.891636 (E_RNA) where: Base-Base interactions energy: -727.993 where: short stacking energy: -345.927 Base-Backbone interact. energy: -2.088 local terms energy: -357.810768 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -57.080 flat angles C4'-P-C4' energy: -77.702 flat angles P-C4'-P energy: -51.110 tors. eta vs tors. theta energy: -107.016 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: 8 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1017.742854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.742854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.742854 (E_RNA) where: Base-Base interactions energy: -684.499 where: short stacking energy: -303.962 Base-Backbone interact. energy: -0.440 local terms energy: -332.803764 where: bonds (distance) C4'-P energy: -72.183 bonds (distance) P-C4' energy: -58.260 flat angles C4'-P-C4' energy: -73.603 flat angles P-C4'-P energy: -46.508 tors. eta vs tors. theta energy: -82.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -995.802508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.802508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.802508 (E_RNA) where: Base-Base interactions energy: -659.204 where: short stacking energy: -310.186 Base-Backbone interact. energy: 0.441 local terms energy: -337.039867 where: bonds (distance) C4'-P energy: -61.246 bonds (distance) P-C4' energy: -71.043 flat angles C4'-P-C4' energy: -71.441 flat angles P-C4'-P energy: -47.762 tors. eta vs tors. theta energy: -85.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -880.146711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.146711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.146711 (E_RNA) where: Base-Base interactions energy: -583.647 where: short stacking energy: -272.248 Base-Backbone interact. energy: -0.688 local terms energy: -295.812006 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -56.560 flat angles C4'-P-C4' energy: -67.558 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -71.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -827.553158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.553158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.553158 (E_RNA) where: Base-Base interactions energy: -548.670 where: short stacking energy: -269.082 Base-Backbone interact. energy: -0.699 local terms energy: -278.184819 where: bonds (distance) C4'-P energy: -53.100 bonds (distance) P-C4' energy: -57.593 flat angles C4'-P-C4' energy: -59.467 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: -64.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -768.121622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.121622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.121622 (E_RNA) where: Base-Base interactions energy: -486.075 where: short stacking energy: -232.071 Base-Backbone interact. energy: 1.278 local terms energy: -283.324096 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -56.990 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -63.524 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: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -493.710576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.710576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.710576 (E_RNA) where: Base-Base interactions energy: -255.471 where: short stacking energy: -148.650 Base-Backbone interact. energy: 1.184 local terms energy: -239.424098 where: bonds (distance) C4'-P energy: -58.004 bonds (distance) P-C4' energy: -62.926 flat angles C4'-P-C4' energy: -58.999 flat angles P-C4'-P energy: -36.201 tors. eta vs tors. theta energy: -23.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -319.011325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.011325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.011325 (E_RNA) where: Base-Base interactions energy: -110.340 where: short stacking energy: -85.844 Base-Backbone interact. energy: -2.169 local terms energy: -206.501733 where: bonds (distance) C4'-P energy: -53.291 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -58.896 flat angles P-C4'-P energy: -29.126 tors. eta vs tors. theta energy: -2.259 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: 3 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -298.929687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.929687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.929687 (E_RNA) where: Base-Base interactions energy: -100.626 where: short stacking energy: -96.069 Base-Backbone interact. energy: -1.677 local terms energy: -196.627130 where: bonds (distance) C4'-P energy: -51.356 bonds (distance) P-C4' energy: -61.335 flat angles C4'-P-C4' energy: -45.299 flat angles P-C4'-P energy: -34.831 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1144.165043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.165043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.165043 (E_RNA) where: Base-Base interactions energy: -775.018 where: short stacking energy: -338.539 Base-Backbone interact. energy: -1.604 local terms energy: -367.542851 where: bonds (distance) C4'-P energy: -75.756 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -81.384 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -98.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1080.025428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.025428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.025428 (E_RNA) where: Base-Base interactions energy: -726.315 where: short stacking energy: -325.564 Base-Backbone interact. energy: -0.958 local terms energy: -352.752381 where: bonds (distance) C4'-P energy: -65.571 bonds (distance) P-C4' energy: -70.171 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -50.339 tors. eta vs tors. theta energy: -92.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1007.433452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.433452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.433452 (E_RNA) where: Base-Base interactions energy: -672.114 where: short stacking energy: -318.034 Base-Backbone interact. energy: -2.373 local terms energy: -332.946248 where: bonds (distance) C4'-P energy: -67.047 bonds (distance) P-C4' energy: -59.668 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -44.891 tors. eta vs tors. theta energy: -92.078 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: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -974.499364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.499364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.499364 (E_RNA) where: Base-Base interactions energy: -642.073 where: short stacking energy: -306.513 Base-Backbone interact. energy: -1.195 local terms energy: -331.231140 where: bonds (distance) C4'-P energy: -56.207 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -64.857 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -92.593 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: 486 Temperature: 1.100000 Total energy: -912.332529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.332529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.332529 (E_RNA) where: Base-Base interactions energy: -611.086 where: short stacking energy: -273.989 Base-Backbone interact. energy: -1.959 local terms energy: -299.287846 where: bonds (distance) C4'-P energy: -57.331 bonds (distance) P-C4' energy: -68.878 flat angles C4'-P-C4' energy: -58.676 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -71.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -802.012667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.012667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.012667 (E_RNA) where: Base-Base interactions energy: -547.297 where: short stacking energy: -235.554 Base-Backbone interact. energy: 5.989 local terms energy: -260.705036 where: bonds (distance) C4'-P energy: -56.526 bonds (distance) P-C4' energy: -68.128 flat angles C4'-P-C4' energy: -56.234 flat angles P-C4'-P energy: -27.950 tors. eta vs tors. theta energy: -51.867 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: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -751.227933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.227933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.227933 (E_RNA) where: Base-Base interactions energy: -467.372 where: short stacking energy: -209.860 Base-Backbone interact. energy: 1.041 local terms energy: -284.897237 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -64.883 flat angles C4'-P-C4' energy: -65.812 flat angles P-C4'-P energy: -36.992 tors. eta vs tors. theta energy: -53.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -448.512525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.512525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.512525 (E_RNA) where: Base-Base interactions energy: -221.113 where: short stacking energy: -129.720 Base-Backbone interact. energy: -2.628 local terms energy: -224.771008 where: bonds (distance) C4'-P energy: -37.436 bonds (distance) P-C4' energy: -74.300 flat angles C4'-P-C4' energy: -63.470 flat angles P-C4'-P energy: -35.007 tors. eta vs tors. theta energy: -14.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -337.740033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.740033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.740033 (E_RNA) where: Base-Base interactions energy: -123.529 where: short stacking energy: -87.656 Base-Backbone interact. energy: 5.706 local terms energy: -219.917818 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -68.695 flat angles C4'-P-C4' energy: -56.239 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -281.856604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.856604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.856604 (E_RNA) where: Base-Base interactions energy: -93.717 where: short stacking energy: -69.372 Base-Backbone interact. energy: -0.669 local terms energy: -187.470989 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -52.643 flat angles C4'-P-C4' energy: -52.313 flat angles P-C4'-P energy: -20.914 tors. eta vs tors. theta energy: 1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1138.011656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.011656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.011656 (E_RNA) where: Base-Base interactions energy: -772.760 where: short stacking energy: -341.093 Base-Backbone interact. energy: -2.125 local terms energy: -363.126679 where: bonds (distance) C4'-P energy: -62.702 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -77.732 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: -104.790 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: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1091.738460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.738460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.738460 (E_RNA) where: Base-Base interactions energy: -735.195 where: short stacking energy: -345.816 Base-Backbone interact. energy: -0.890 local terms energy: -355.653038 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -68.974 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -105.106 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: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1031.129156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.129156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.129156 (E_RNA) where: Base-Base interactions energy: -689.660 where: short stacking energy: -325.969 Base-Backbone interact. energy: -1.726 local terms energy: -339.742845 where: bonds (distance) C4'-P energy: -52.707 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -75.999 flat angles P-C4'-P energy: -53.020 tors. eta vs tors. theta energy: -93.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -991.434136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.434136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.434136 (E_RNA) where: Base-Base interactions energy: -652.033 where: short stacking energy: -310.442 Base-Backbone interact. energy: -0.586 local terms energy: -338.814722 where: bonds (distance) C4'-P energy: -58.818 bonds (distance) P-C4' energy: -62.628 flat angles C4'-P-C4' energy: -76.913 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -93.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -899.562592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.562592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.562592 (E_RNA) where: Base-Base interactions energy: -586.606 where: short stacking energy: -255.061 Base-Backbone interact. energy: -1.559 local terms energy: -311.397978 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -67.817 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -38.586 tors. eta vs tors. theta energy: -65.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -875.683583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.683583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.683583 (E_RNA) where: Base-Base interactions energy: -564.916 where: short stacking energy: -233.755 Base-Backbone interact. energy: -1.664 local terms energy: -309.103421 where: bonds (distance) C4'-P energy: -70.755 bonds (distance) P-C4' energy: -68.920 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -66.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -716.218828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.218828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.218828 (E_RNA) where: Base-Base interactions energy: -451.586 where: short stacking energy: -234.724 Base-Backbone interact. energy: -0.544 local terms energy: -264.088952 where: bonds (distance) C4'-P energy: -51.866 bonds (distance) P-C4' energy: -52.107 flat angles C4'-P-C4' energy: -60.380 flat angles P-C4'-P energy: -37.810 tors. eta vs tors. theta energy: -61.926 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: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -452.408919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.408919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.408919 (E_RNA) where: Base-Base interactions energy: -238.126 where: short stacking energy: -132.855 Base-Backbone interact. energy: 0.099 local terms energy: -214.381544 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -55.187 flat angles P-C4'-P energy: -28.409 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -334.417207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.417207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.417207 (E_RNA) where: Base-Base interactions energy: -145.211 where: short stacking energy: -111.067 Base-Backbone interact. energy: 0.513 local terms energy: -189.718819 where: bonds (distance) C4'-P energy: -57.492 bonds (distance) P-C4' energy: -61.061 flat angles C4'-P-C4' energy: -37.882 flat angles P-C4'-P energy: -32.779 tors. eta vs tors. theta energy: -0.505 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: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -274.040516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.040516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.040516 (E_RNA) where: Base-Base interactions energy: -94.748 where: short stacking energy: -89.027 Base-Backbone interact. energy: -0.109 local terms energy: -179.183052 where: bonds (distance) C4'-P energy: -57.690 bonds (distance) P-C4' energy: -58.056 flat angles C4'-P-C4' energy: -48.671 flat angles P-C4'-P energy: -14.692 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1145.865316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.865316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.865316 (E_RNA) where: Base-Base interactions energy: -780.573 where: short stacking energy: -322.361 Base-Backbone interact. energy: -0.154 local terms energy: -365.138075 where: bonds (distance) C4'-P energy: -69.586 bonds (distance) P-C4' energy: -69.510 flat angles C4'-P-C4' energy: -80.196 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -97.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1074.262528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.262528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.262528 (E_RNA) where: Base-Base interactions energy: -723.883 where: short stacking energy: -320.886 Base-Backbone interact. energy: 0.027 local terms energy: -350.406471 where: bonds (distance) C4'-P energy: -63.480 bonds (distance) P-C4' energy: -70.507 flat angles C4'-P-C4' energy: -73.542 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -92.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1012.511499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.511499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.511499 (E_RNA) where: Base-Base interactions energy: -661.513 where: short stacking energy: -307.931 Base-Backbone interact. energy: 0.405 local terms energy: -351.403213 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -65.134 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -87.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -997.571814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.571814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.571814 (E_RNA) where: Base-Base interactions energy: -670.692 where: short stacking energy: -333.302 Base-Backbone interact. energy: -0.615 local terms energy: -326.264679 where: bonds (distance) C4'-P energy: -66.949 bonds (distance) P-C4' energy: -59.697 flat angles C4'-P-C4' energy: -70.016 flat angles P-C4'-P energy: -41.211 tors. eta vs tors. theta energy: -88.392 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: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -933.761884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.761884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.761884 (E_RNA) where: Base-Base interactions energy: -616.706 where: short stacking energy: -271.447 Base-Backbone interact. energy: -2.439 local terms energy: -314.616109 where: bonds (distance) C4'-P energy: -57.291 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -71.024 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: -80.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -883.482246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.482246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.482246 (E_RNA) where: Base-Base interactions energy: -592.287 where: short stacking energy: -255.797 Base-Backbone interact. energy: 4.727 local terms energy: -295.921957 where: bonds (distance) C4'-P energy: -56.824 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -63.829 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -77.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -696.331097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.331097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.331097 (E_RNA) where: Base-Base interactions energy: -427.009 where: short stacking energy: -228.054 Base-Backbone interact. energy: -0.763 local terms energy: -268.559033 where: bonds (distance) C4'-P energy: -52.996 bonds (distance) P-C4' energy: -61.767 flat angles C4'-P-C4' energy: -69.826 flat angles P-C4'-P energy: -27.986 tors. eta vs tors. theta energy: -55.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -498.860793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.860793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.860793 (E_RNA) where: Base-Base interactions energy: -272.798 where: short stacking energy: -137.723 Base-Backbone interact. energy: -0.121 local terms energy: -225.942201 where: bonds (distance) C4'-P energy: -60.365 bonds (distance) P-C4' energy: -53.027 flat angles C4'-P-C4' energy: -52.561 flat angles P-C4'-P energy: -31.215 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: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -370.492462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.492462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.492462 (E_RNA) where: Base-Base interactions energy: -176.817 where: short stacking energy: -112.852 Base-Backbone interact. energy: -1.173 local terms energy: -192.502424 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -57.552 flat angles C4'-P-C4' energy: -36.008 flat angles P-C4'-P energy: -42.973 tors. eta vs tors. theta energy: 2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -277.970654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.970654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.970654 (E_RNA) where: Base-Base interactions energy: -98.612 where: short stacking energy: -87.228 Base-Backbone interact. energy: -1.390 local terms energy: -177.969166 where: bonds (distance) C4'-P energy: -61.746 bonds (distance) P-C4' energy: -67.475 flat angles C4'-P-C4' energy: -43.440 flat angles P-C4'-P energy: -18.482 tors. eta vs tors. theta energy: 13.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1120.997529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.997529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.997529 (E_RNA) where: Base-Base interactions energy: -782.795 where: short stacking energy: -304.232 Base-Backbone interact. energy: -0.287 local terms energy: -337.914964 where: bonds (distance) C4'-P energy: -68.052 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -76.352 flat angles P-C4'-P energy: -40.978 tors. eta vs tors. theta energy: -87.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1088.405318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.405318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.405318 (E_RNA) where: Base-Base interactions energy: -738.250 where: short stacking energy: -340.339 Base-Backbone interact. energy: -1.593 local terms energy: -348.562589 where: bonds (distance) C4'-P energy: -62.991 bonds (distance) P-C4' energy: -66.133 flat angles C4'-P-C4' energy: -76.984 flat angles P-C4'-P energy: -44.844 tors. eta vs tors. theta energy: -97.611 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: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1043.884793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.884793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.884793 (E_RNA) where: Base-Base interactions energy: -698.124 where: short stacking energy: -331.566 Base-Backbone interact. energy: -1.630 local terms energy: -344.130738 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -75.195 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -50.374 tors. eta vs tors. theta energy: -89.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -999.237253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.237253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.237253 (E_RNA) where: Base-Base interactions energy: -662.023 where: short stacking energy: -304.839 Base-Backbone interact. energy: -1.010 local terms energy: -336.203666 where: bonds (distance) C4'-P energy: -61.831 bonds (distance) P-C4' energy: -68.023 flat angles C4'-P-C4' energy: -73.020 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: -84.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -938.344162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.344162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.344162 (E_RNA) where: Base-Base interactions energy: -634.821 where: short stacking energy: -278.025 Base-Backbone interact. energy: -2.453 local terms energy: -301.069295 where: bonds (distance) C4'-P energy: -53.066 bonds (distance) P-C4' energy: -64.820 flat angles C4'-P-C4' energy: -66.105 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -77.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -859.062039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.062039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.062039 (E_RNA) where: Base-Base interactions energy: -572.420 where: short stacking energy: -244.977 Base-Backbone interact. energy: -0.699 local terms energy: -285.942749 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -71.203 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -68.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -720.159456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.159456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.159456 (E_RNA) where: Base-Base interactions energy: -453.573 where: short stacking energy: -211.044 Base-Backbone interact. energy: 2.946 local terms energy: -269.532364 where: bonds (distance) C4'-P energy: -67.093 bonds (distance) P-C4' energy: -54.011 flat angles C4'-P-C4' energy: -66.231 flat angles P-C4'-P energy: -32.156 tors. eta vs tors. theta energy: -50.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -510.330984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.330984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.330984 (E_RNA) where: Base-Base interactions energy: -289.328 where: short stacking energy: -145.058 Base-Backbone interact. energy: -1.251 local terms energy: -219.752063 where: bonds (distance) C4'-P energy: -60.469 bonds (distance) P-C4' energy: -43.396 flat angles C4'-P-C4' energy: -54.420 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -24.672 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: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -363.576734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.576734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.576734 (E_RNA) where: Base-Base interactions energy: -156.472 where: short stacking energy: -112.663 Base-Backbone interact. energy: -0.209 local terms energy: -206.895515 where: bonds (distance) C4'-P energy: -48.436 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -53.881 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -6.922 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: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -280.879350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.879350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.879350 (E_RNA) where: Base-Base interactions energy: -95.513 where: short stacking energy: -75.135 Base-Backbone interact. energy: 4.827 local terms energy: -190.193909 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -78.374 flat angles C4'-P-C4' energy: -48.765 flat angles P-C4'-P energy: -22.085 tors. eta vs tors. theta energy: 11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1130.839157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.839157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.839157 (E_RNA) where: Base-Base interactions energy: -764.814 where: short stacking energy: -315.366 Base-Backbone interact. energy: -2.853 local terms energy: -363.171440 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -67.577 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -52.469 tors. eta vs tors. theta energy: -94.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1067.366215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.366215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.366215 (E_RNA) where: Base-Base interactions energy: -721.513 where: short stacking energy: -322.001 Base-Backbone interact. energy: -1.327 local terms energy: -344.526310 where: bonds (distance) C4'-P energy: -67.684 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -70.733 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -91.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1023.767819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.767819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.767819 (E_RNA) where: Base-Base interactions energy: -678.432 where: short stacking energy: -326.634 Base-Backbone interact. energy: -1.202 local terms energy: -344.133959 where: bonds (distance) C4'-P energy: -58.987 bonds (distance) P-C4' energy: -68.425 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -45.352 tors. eta vs tors. theta energy: -92.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -990.315890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.315890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.315890 (E_RNA) where: Base-Base interactions energy: -660.912 where: short stacking energy: -300.677 Base-Backbone interact. energy: -2.419 local terms energy: -326.984888 where: bonds (distance) C4'-P energy: -58.838 bonds (distance) P-C4' energy: -66.329 flat angles C4'-P-C4' energy: -67.268 flat angles P-C4'-P energy: -53.256 tors. eta vs tors. theta energy: -81.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -893.159426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.159426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.159426 (E_RNA) where: Base-Base interactions energy: -589.686 where: short stacking energy: -246.938 Base-Backbone interact. energy: -2.170 local terms energy: -301.303480 where: bonds (distance) C4'-P energy: -65.927 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -61.387 flat angles P-C4'-P energy: -39.782 tors. eta vs tors. theta energy: -74.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -857.147474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.147474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.147474 (E_RNA) where: Base-Base interactions energy: -559.914 where: short stacking energy: -226.569 Base-Backbone interact. energy: -2.617 local terms energy: -294.616302 where: bonds (distance) C4'-P energy: -66.037 bonds (distance) P-C4' energy: -54.912 flat angles C4'-P-C4' energy: -71.340 flat angles P-C4'-P energy: -43.591 tors. eta vs tors. theta energy: -58.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -773.747859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.747859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.747859 (E_RNA) where: Base-Base interactions energy: -501.682 where: short stacking energy: -247.679 Base-Backbone interact. energy: 2.416 local terms energy: -274.481981 where: bonds (distance) C4'-P energy: -40.300 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -34.471 tors. eta vs tors. theta energy: -67.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -531.312673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.312673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.312673 (E_RNA) where: Base-Base interactions energy: -302.895 where: short stacking energy: -154.434 Base-Backbone interact. energy: 0.100 local terms energy: -228.517203 where: bonds (distance) C4'-P energy: -59.875 bonds (distance) P-C4' energy: -56.693 flat angles C4'-P-C4' energy: -64.767 flat angles P-C4'-P energy: -31.731 tors. eta vs tors. theta energy: -15.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -337.618560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.618560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.618560 (E_RNA) where: Base-Base interactions energy: -149.606 where: short stacking energy: -71.595 Base-Backbone interact. energy: 1.565 local terms energy: -189.577560 where: bonds (distance) C4'-P energy: -49.731 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -55.836 flat angles P-C4'-P energy: -30.889 tors. eta vs tors. theta energy: 15.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -288.919282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.919282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.919282 (E_RNA) where: Base-Base interactions energy: -89.550 where: short stacking energy: -83.249 Base-Backbone interact. energy: 2.337 local terms energy: -201.707103 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -57.773 flat angles C4'-P-C4' energy: -56.619 flat angles P-C4'-P energy: -23.099 tors. eta vs tors. theta energy: -2.626 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: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1137.427733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.427733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.427733 (E_RNA) where: Base-Base interactions energy: -796.815 where: short stacking energy: -324.894 Base-Backbone interact. energy: 0.658 local terms energy: -341.270361 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -91.882 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: 2, replica: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1056.392148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.392148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.392148 (E_RNA) where: Base-Base interactions energy: -735.501 where: short stacking energy: -316.155 Base-Backbone interact. energy: 2.298 local terms energy: -323.189013 where: bonds (distance) C4'-P energy: -63.897 bonds (distance) P-C4' energy: -70.686 flat angles C4'-P-C4' energy: -70.100 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -71.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1009.324520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.324520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.324520 (E_RNA) where: Base-Base interactions energy: -676.912 where: short stacking energy: -316.750 Base-Backbone interact. energy: -1.119 local terms energy: -331.293974 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -61.798 flat angles C4'-P-C4' energy: -71.869 flat angles P-C4'-P energy: -56.505 tors. eta vs tors. theta energy: -84.557 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: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1024.413632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.413632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.413632 (E_RNA) where: Base-Base interactions energy: -675.206 where: short stacking energy: -319.261 Base-Backbone interact. energy: -0.882 local terms energy: -348.325089 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -69.147 flat angles C4'-P-C4' energy: -71.812 flat angles P-C4'-P energy: -52.796 tors. eta vs tors. theta energy: -89.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -917.251083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.251083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.251083 (E_RNA) where: Base-Base interactions energy: -587.963 where: short stacking energy: -277.866 Base-Backbone interact. energy: 5.883 local terms energy: -335.171224 where: bonds (distance) C4'-P energy: -58.238 bonds (distance) P-C4' energy: -66.030 flat angles C4'-P-C4' energy: -79.983 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -82.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -816.606783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.606783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.606783 (E_RNA) where: Base-Base interactions energy: -530.083 where: short stacking energy: -217.973 Base-Backbone interact. energy: -0.938 local terms energy: -285.585507 where: bonds (distance) C4'-P energy: -56.525 bonds (distance) P-C4' energy: -64.075 flat angles C4'-P-C4' energy: -71.507 flat angles P-C4'-P energy: -37.917 tors. eta vs tors. theta energy: -55.561 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -737.782843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.782843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.782843 (E_RNA) where: Base-Base interactions energy: -467.852 where: short stacking energy: -243.190 Base-Backbone interact. energy: -0.003 local terms energy: -269.927230 where: bonds (distance) C4'-P energy: -51.814 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -64.663 flat angles P-C4'-P energy: -36.107 tors. eta vs tors. theta energy: -57.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -495.946937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.946937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.946937 (E_RNA) where: Base-Base interactions energy: -269.796 where: short stacking energy: -126.100 Base-Backbone interact. energy: -1.132 local terms energy: -225.018701 where: bonds (distance) C4'-P energy: -65.992 bonds (distance) P-C4' energy: -61.384 flat angles C4'-P-C4' energy: -58.515 flat angles P-C4'-P energy: -38.116 tors. eta vs tors. theta energy: -1.011 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: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -322.500127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.500127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.500127 (E_RNA) where: Base-Base interactions energy: -127.721 where: short stacking energy: -106.198 Base-Backbone interact. energy: -1.012 local terms energy: -193.767303 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -46.558 flat angles P-C4'-P energy: -27.333 tors. eta vs tors. theta energy: 2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -306.134111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.134111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.134111 (E_RNA) where: Base-Base interactions energy: -104.426 where: short stacking energy: -89.940 Base-Backbone interact. energy: -2.147 local terms energy: -199.561876 where: bonds (distance) C4'-P energy: -57.691 bonds (distance) P-C4' energy: -56.567 flat angles C4'-P-C4' energy: -55.275 flat angles P-C4'-P energy: -34.771 tors. eta vs tors. theta energy: 4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1144.424103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.424103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.424103 (E_RNA) where: Base-Base interactions energy: -789.932 where: short stacking energy: -324.546 Base-Backbone interact. energy: -2.085 local terms energy: -352.407273 where: bonds (distance) C4'-P energy: -71.668 bonds (distance) P-C4' energy: -74.226 flat angles C4'-P-C4' energy: -77.458 flat angles P-C4'-P energy: -41.884 tors. eta vs tors. theta energy: -87.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1090.133882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.133882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.133882 (E_RNA) where: Base-Base interactions energy: -721.959 where: short stacking energy: -322.295 Base-Backbone interact. energy: -1.285 local terms energy: -366.890081 where: bonds (distance) C4'-P energy: -70.119 bonds (distance) P-C4' energy: -68.337 flat angles C4'-P-C4' energy: -75.569 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -100.695 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: 8 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1021.508234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.508234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.508234 (E_RNA) where: Base-Base interactions energy: -672.891 where: short stacking energy: -329.820 Base-Backbone interact. energy: -0.871 local terms energy: -347.746390 where: bonds (distance) C4'-P energy: -65.692 bonds (distance) P-C4' energy: -51.302 flat angles C4'-P-C4' energy: -77.880 flat angles P-C4'-P energy: -56.222 tors. eta vs tors. theta energy: -96.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -965.822771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.822771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.822771 (E_RNA) where: Base-Base interactions energy: -629.057 where: short stacking energy: -286.176 Base-Backbone interact. energy: 0.902 local terms energy: -337.668210 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -71.181 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -86.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -890.947693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.947693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.947693 (E_RNA) where: Base-Base interactions energy: -578.831 where: short stacking energy: -272.371 Base-Backbone interact. energy: -3.026 local terms energy: -309.091134 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -57.170 flat angles C4'-P-C4' energy: -71.369 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -80.073 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: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -847.119417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.119417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.119417 (E_RNA) where: Base-Base interactions energy: -553.612 where: short stacking energy: -236.451 Base-Backbone interact. energy: -0.538 local terms energy: -292.969071 where: bonds (distance) C4'-P energy: -63.202 bonds (distance) P-C4' energy: -59.012 flat angles C4'-P-C4' energy: -72.018 flat angles P-C4'-P energy: -41.909 tors. eta vs tors. theta energy: -56.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -766.992893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.992893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.992893 (E_RNA) where: Base-Base interactions energy: -476.119 where: short stacking energy: -214.805 Base-Backbone interact. energy: -0.812 local terms energy: -290.061785 where: bonds (distance) C4'-P energy: -56.042 bonds (distance) P-C4' energy: -60.786 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: -54.921 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: 8, replica: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -511.662089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.662089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.662089 (E_RNA) where: Base-Base interactions energy: -275.653 where: short stacking energy: -142.342 Base-Backbone interact. energy: -0.118 local terms energy: -235.890960 where: bonds (distance) C4'-P energy: -61.304 bonds (distance) P-C4' energy: -36.729 flat angles C4'-P-C4' energy: -83.338 flat angles P-C4'-P energy: -40.211 tors. eta vs tors. theta energy: -14.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -307.209511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.209511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.209511 (E_RNA) where: Base-Base interactions energy: -108.099 where: short stacking energy: -77.329 Base-Backbone interact. energy: 0.737 local terms energy: -199.847481 where: bonds (distance) C4'-P energy: -57.374 bonds (distance) P-C4' energy: -64.260 flat angles C4'-P-C4' energy: -54.449 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: 11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -285.737656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.737656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.737656 (E_RNA) where: Base-Base interactions energy: -112.548 where: short stacking energy: -82.461 Base-Backbone interact. energy: -0.983 local terms energy: -172.206596 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -61.098 flat angles C4'-P-C4' energy: -32.744 flat angles P-C4'-P energy: -26.347 tors. eta vs tors. theta energy: 7.296 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: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1135.869447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.869447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.869447 (E_RNA) where: Base-Base interactions energy: -781.488 where: short stacking energy: -327.229 Base-Backbone interact. energy: -3.109 local terms energy: -351.273203 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -73.924 flat angles P-C4'-P energy: -52.389 tors. eta vs tors. theta energy: -95.966 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: 10 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1099.730623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.730623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.730623 (E_RNA) where: Base-Base interactions energy: -732.042 where: short stacking energy: -325.503 Base-Backbone interact. energy: -0.724 local terms energy: -366.965098 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -73.100 flat angles C4'-P-C4' energy: -76.509 flat angles P-C4'-P energy: -58.000 tors. eta vs tors. theta energy: -91.765 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: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1008.265132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.265132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.265132 (E_RNA) where: Base-Base interactions energy: -681.131 where: short stacking energy: -296.694 Base-Backbone interact. energy: 1.472 local terms energy: -328.606027 where: bonds (distance) C4'-P energy: -61.238 bonds (distance) P-C4' energy: -68.167 flat angles C4'-P-C4' energy: -73.764 flat angles P-C4'-P energy: -44.467 tors. eta vs tors. theta energy: -80.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -974.109949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.109949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.109949 (E_RNA) where: Base-Base interactions energy: -643.268 where: short stacking energy: -301.531 Base-Backbone interact. energy: -1.343 local terms energy: -329.499138 where: bonds (distance) C4'-P energy: -57.946 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -81.595 flat angles P-C4'-P energy: -44.129 tors. eta vs tors. theta energy: -83.173 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: 493 Temperature: 1.100000 Total energy: -899.394073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.394073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.394073 (E_RNA) where: Base-Base interactions energy: -601.109 where: short stacking energy: -281.297 Base-Backbone interact. energy: -0.386 local terms energy: -297.899684 where: bonds (distance) C4'-P energy: -64.153 bonds (distance) P-C4' energy: -56.183 flat angles C4'-P-C4' energy: -65.711 flat angles P-C4'-P energy: -29.616 tors. eta vs tors. theta energy: -82.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -803.586459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.586459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.586459 (E_RNA) where: Base-Base interactions energy: -521.974 where: short stacking energy: -223.182 Base-Backbone interact. energy: -1.637 local terms energy: -279.974890 where: bonds (distance) C4'-P energy: -64.817 bonds (distance) P-C4' energy: -56.639 flat angles C4'-P-C4' energy: -63.978 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: -60.517 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: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -789.122392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.122392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.122392 (E_RNA) where: Base-Base interactions energy: -511.372 where: short stacking energy: -223.956 Base-Backbone interact. energy: -0.879 local terms energy: -276.870650 where: bonds (distance) C4'-P energy: -65.325 bonds (distance) P-C4' energy: -51.821 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -39.271 tors. eta vs tors. theta energy: -52.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -567.172510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.172510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.172510 (E_RNA) where: Base-Base interactions energy: -323.292 where: short stacking energy: -170.538 Base-Backbone interact. energy: 0.333 local terms energy: -244.213790 where: bonds (distance) C4'-P energy: -50.028 bonds (distance) P-C4' energy: -57.350 flat angles C4'-P-C4' energy: -62.748 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: -34.473 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: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -365.396248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.396248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.396248 (E_RNA) where: Base-Base interactions energy: -174.850 where: short stacking energy: -113.928 Base-Backbone interact. energy: 0.721 local terms energy: -191.267028 where: bonds (distance) C4'-P energy: -49.816 bonds (distance) P-C4' energy: -69.850 flat angles C4'-P-C4' energy: -36.796 flat angles P-C4'-P energy: -30.069 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -287.912727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.912727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.912727 (E_RNA) where: Base-Base interactions energy: -85.596 where: short stacking energy: -71.701 Base-Backbone interact. energy: -0.076 local terms energy: -202.240098 where: bonds (distance) C4'-P energy: -58.999 bonds (distance) P-C4' energy: -80.727 flat angles C4'-P-C4' energy: -47.601 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: 19.967 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: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1147.324347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.324347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.324347 (E_RNA) where: Base-Base interactions energy: -784.514 where: short stacking energy: -324.520 Base-Backbone interact. energy: -2.011 local terms energy: -360.799278 where: bonds (distance) C4'-P energy: -72.334 bonds (distance) P-C4' energy: -73.435 flat angles C4'-P-C4' energy: -80.678 flat angles P-C4'-P energy: -46.237 tors. eta vs tors. theta energy: -88.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1066.722795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.722795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.722795 (E_RNA) where: Base-Base interactions energy: -711.121 where: short stacking energy: -295.370 Base-Backbone interact. energy: -0.613 local terms energy: -354.989469 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -73.538 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -91.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1015.185813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.185813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.185813 (E_RNA) where: Base-Base interactions energy: -662.336 where: short stacking energy: -297.591 Base-Backbone interact. energy: -1.998 local terms energy: -350.851251 where: bonds (distance) C4'-P energy: -71.539 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -78.684 flat angles P-C4'-P energy: -45.759 tors. eta vs tors. theta energy: -86.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -982.284711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.284711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.284711 (E_RNA) where: Base-Base interactions energy: -655.976 where: short stacking energy: -296.221 Base-Backbone interact. energy: -1.141 local terms energy: -325.168191 where: bonds (distance) C4'-P energy: -63.537 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -64.695 flat angles P-C4'-P energy: -57.276 tors. eta vs tors. theta energy: -81.768 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: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -843.932909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.932909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.932909 (E_RNA) where: Base-Base interactions energy: -549.014 where: short stacking energy: -277.760 Base-Backbone interact. energy: -0.419 local terms energy: -294.500270 where: bonds (distance) C4'-P energy: -45.437 bonds (distance) P-C4' energy: -66.196 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: -76.801 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: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -882.772278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.772278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.772278 (E_RNA) where: Base-Base interactions energy: -596.934 where: short stacking energy: -274.534 Base-Backbone interact. energy: 1.028 local terms energy: -286.866007 where: bonds (distance) C4'-P energy: -52.466 bonds (distance) P-C4' energy: -53.116 flat angles C4'-P-C4' energy: -65.441 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -71.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -777.743150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.743150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.743150 (E_RNA) where: Base-Base interactions energy: -509.919 where: short stacking energy: -224.498 Base-Backbone interact. energy: 0.347 local terms energy: -268.171015 where: bonds (distance) C4'-P energy: -48.208 bonds (distance) P-C4' energy: -67.893 flat angles C4'-P-C4' energy: -49.791 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -60.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -544.498178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.498178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.498178 (E_RNA) where: Base-Base interactions energy: -337.229 where: short stacking energy: -159.187 Base-Backbone interact. energy: -0.064 local terms energy: -207.205491 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -43.687 flat angles C4'-P-C4' energy: -55.191 flat angles P-C4'-P energy: -28.600 tors. eta vs tors. theta energy: -23.311 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: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -293.219905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.219905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.219905 (E_RNA) where: Base-Base interactions energy: -85.474 where: short stacking energy: -70.217 Base-Backbone interact. energy: -0.336 local terms energy: -207.409921 where: bonds (distance) C4'-P energy: -52.445 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -50.092 flat angles P-C4'-P energy: -30.943 tors. eta vs tors. theta energy: -12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -300.653397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.653397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.653397 (E_RNA) where: Base-Base interactions energy: -109.488 where: short stacking energy: -91.804 Base-Backbone interact. energy: -0.922 local terms energy: -190.243982 where: bonds (distance) C4'-P energy: -55.206 bonds (distance) P-C4' energy: -67.217 flat angles C4'-P-C4' energy: -52.005 flat angles P-C4'-P energy: -30.283 tors. eta vs tors. theta energy: 14.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1125.956148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.956148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.956148 (E_RNA) where: Base-Base interactions energy: -779.929 where: short stacking energy: -305.946 Base-Backbone interact. energy: -1.869 local terms energy: -344.158431 where: bonds (distance) C4'-P energy: -68.570 bonds (distance) P-C4' energy: -66.939 flat angles C4'-P-C4' energy: -65.401 flat angles P-C4'-P energy: -50.991 tors. eta vs tors. theta energy: -92.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1058.257929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.257929 (E_RNA) where: Base-Base interactions energy: -709.416 where: short stacking energy: -299.230 Base-Backbone interact. energy: -0.026 local terms energy: -348.815559 where: bonds (distance) C4'-P energy: -67.128 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -72.461 flat angles P-C4'-P energy: -51.094 tors. eta vs tors. theta energy: -90.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1024.389228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.389228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.389228 (E_RNA) where: Base-Base interactions energy: -689.214 where: short stacking energy: -315.152 Base-Backbone interact. energy: -0.551 local terms energy: -334.624036 where: bonds (distance) C4'-P energy: -60.504 bonds (distance) P-C4' energy: -60.406 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -93.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -985.832946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.832946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.832946 (E_RNA) where: Base-Base interactions energy: -645.447 where: short stacking energy: -276.082 Base-Backbone interact. energy: -0.426 local terms energy: -339.960074 where: bonds (distance) C4'-P energy: -65.886 bonds (distance) P-C4' energy: -63.683 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: -85.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -858.150564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.150564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.150564 (E_RNA) where: Base-Base interactions energy: -535.583 where: short stacking energy: -252.071 Base-Backbone interact. energy: -0.116 local terms energy: -322.451967 where: bonds (distance) C4'-P energy: -63.995 bonds (distance) P-C4' energy: -71.769 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -52.502 tors. eta vs tors. theta energy: -64.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -872.344771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.344771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.344771 (E_RNA) where: Base-Base interactions energy: -583.705 where: short stacking energy: -256.972 Base-Backbone interact. energy: -1.262 local terms energy: -287.378043 where: bonds (distance) C4'-P energy: -59.069 bonds (distance) P-C4' energy: -62.741 flat angles C4'-P-C4' energy: -71.712 flat angles P-C4'-P energy: -31.750 tors. eta vs tors. theta energy: -62.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -740.202710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.202710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.202710 (E_RNA) where: Base-Base interactions energy: -476.182 where: short stacking energy: -186.933 Base-Backbone interact. energy: -2.299 local terms energy: -261.721046 where: bonds (distance) C4'-P energy: -53.094 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -59.208 flat angles P-C4'-P energy: -47.641 tors. eta vs tors. theta energy: -34.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -539.871129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.871129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.871129 (E_RNA) where: Base-Base interactions energy: -327.434 where: short stacking energy: -166.651 Base-Backbone interact. energy: -1.593 local terms energy: -210.844596 where: bonds (distance) C4'-P energy: -58.054 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -50.500 flat angles P-C4'-P energy: -19.011 tors. eta vs tors. theta energy: -22.732 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: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -307.186608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.186608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.186608 (E_RNA) where: Base-Base interactions energy: -108.306 where: short stacking energy: -92.503 Base-Backbone interact. energy: -1.070 local terms energy: -197.810394 where: bonds (distance) C4'-P energy: -50.133 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -30.347 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -289.428095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.428095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.428095 (E_RNA) where: Base-Base interactions energy: -97.295 where: short stacking energy: -68.049 Base-Backbone interact. energy: 1.814 local terms energy: -193.946947 where: bonds (distance) C4'-P energy: -61.268 bonds (distance) P-C4' energy: -59.969 flat angles C4'-P-C4' energy: -51.825 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: 11.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1135.575629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.575629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.575629 (E_RNA) where: Base-Base interactions energy: -782.922 where: short stacking energy: -328.561 Base-Backbone interact. energy: -2.831 local terms energy: -349.822814 where: bonds (distance) C4'-P energy: -65.807 bonds (distance) P-C4' energy: -69.199 flat angles C4'-P-C4' energy: -80.382 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -91.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1053.253593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.253593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.253593 (E_RNA) where: Base-Base interactions energy: -718.241 where: short stacking energy: -324.568 Base-Backbone interact. energy: -0.931 local terms energy: -334.081424 where: bonds (distance) C4'-P energy: -58.806 bonds (distance) P-C4' energy: -66.337 flat angles C4'-P-C4' energy: -67.284 flat angles P-C4'-P energy: -51.437 tors. eta vs tors. theta energy: -90.218 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: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1022.434893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.434893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.434893 (E_RNA) where: Base-Base interactions energy: -690.587 where: short stacking energy: -308.345 Base-Backbone interact. energy: -0.868 local terms energy: -330.979822 where: bonds (distance) C4'-P energy: -59.544 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -47.597 tors. eta vs tors. theta energy: -86.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -984.236828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.236828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.236828 (E_RNA) where: Base-Base interactions energy: -655.437 where: short stacking energy: -306.910 Base-Backbone interact. energy: 0.684 local terms energy: -329.483096 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -51.790 flat angles C4'-P-C4' energy: -75.387 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -93.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -826.441586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.441586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.441586 (E_RNA) where: Base-Base interactions energy: -527.846 where: short stacking energy: -234.436 Base-Backbone interact. energy: 0.118 local terms energy: -298.713675 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -63.611 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: -62.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -827.433416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.433416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.433416 (E_RNA) where: Base-Base interactions energy: -547.117 where: short stacking energy: -235.326 Base-Backbone interact. energy: -0.377 local terms energy: -279.939044 where: bonds (distance) C4'-P energy: -52.737 bonds (distance) P-C4' energy: -60.144 flat angles C4'-P-C4' energy: -60.998 flat angles P-C4'-P energy: -45.777 tors. eta vs tors. theta energy: -60.283 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: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -780.553049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.553049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.553049 (E_RNA) where: Base-Base interactions energy: -505.836 where: short stacking energy: -235.716 Base-Backbone interact. energy: -1.141 local terms energy: -273.575894 where: bonds (distance) C4'-P energy: -64.036 bonds (distance) P-C4' energy: -49.719 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -37.581 tors. eta vs tors. theta energy: -57.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -511.197732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.197732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.197732 (E_RNA) where: Base-Base interactions energy: -278.183 where: short stacking energy: -136.449 Base-Backbone interact. energy: -1.454 local terms energy: -231.561223 where: bonds (distance) C4'-P energy: -54.874 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -60.878 flat angles P-C4'-P energy: -33.970 tors. eta vs tors. theta energy: -25.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -330.379340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.379340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.379340 (E_RNA) where: Base-Base interactions energy: -127.488 where: short stacking energy: -111.063 Base-Backbone interact. energy: -0.717 local terms energy: -202.174105 where: bonds (distance) C4'-P energy: -57.615 bonds (distance) P-C4' energy: -55.104 flat angles C4'-P-C4' energy: -58.689 flat angles P-C4'-P energy: -28.844 tors. eta vs tors. theta energy: -1.921 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: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -277.706576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.706576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.706576 (E_RNA) where: Base-Base interactions energy: -93.042 where: short stacking energy: -76.312 Base-Backbone interact. energy: -1.758 local terms energy: -182.906425 where: bonds (distance) C4'-P energy: -51.345 bonds (distance) P-C4' energy: -54.591 flat angles C4'-P-C4' energy: -56.434 flat angles P-C4'-P energy: -34.606 tors. eta vs tors. theta energy: 14.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1135.066485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.066485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.066485 (E_RNA) where: Base-Base interactions energy: -775.337 where: short stacking energy: -326.342 Base-Backbone interact. energy: -1.181 local terms energy: -358.548396 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -69.245 flat angles C4'-P-C4' energy: -74.562 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -87.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1045.062829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.062829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.062829 (E_RNA) where: Base-Base interactions energy: -670.296 where: short stacking energy: -318.851 Base-Backbone interact. energy: 1.296 local terms energy: -376.062462 where: bonds (distance) C4'-P energy: -72.706 bonds (distance) P-C4' energy: -74.580 flat angles C4'-P-C4' energy: -77.559 flat angles P-C4'-P energy: -50.924 tors. eta vs tors. theta energy: -100.294 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: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1041.950068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.950068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.950068 (E_RNA) where: Base-Base interactions energy: -695.882 where: short stacking energy: -309.436 Base-Backbone interact. energy: 0.771 local terms energy: -346.838866 where: bonds (distance) C4'-P energy: -75.482 bonds (distance) P-C4' energy: -72.923 flat angles C4'-P-C4' energy: -69.837 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -79.383 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: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -995.981896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.981896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.981896 (E_RNA) where: Base-Base interactions energy: -651.275 where: short stacking energy: -294.939 Base-Backbone interact. energy: -0.408 local terms energy: -344.299166 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -70.847 flat angles P-C4'-P energy: -53.084 tors. eta vs tors. theta energy: -90.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -861.683126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.683126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.683126 (E_RNA) where: Base-Base interactions energy: -540.754 where: short stacking energy: -244.952 Base-Backbone interact. energy: -0.377 local terms energy: -320.552525 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -73.668 flat angles C4'-P-C4' energy: -66.489 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -75.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -808.604154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.604154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.604154 (E_RNA) where: Base-Base interactions energy: -510.047 where: short stacking energy: -229.749 Base-Backbone interact. energy: -1.053 local terms energy: -297.504139 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -61.778 flat angles P-C4'-P energy: -43.558 tors. eta vs tors. theta energy: -64.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -791.945675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.945675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.945675 (E_RNA) where: Base-Base interactions energy: -505.105 where: short stacking energy: -222.116 Base-Backbone interact. energy: -1.120 local terms energy: -285.720112 where: bonds (distance) C4'-P energy: -63.244 bonds (distance) P-C4' energy: -58.424 flat angles C4'-P-C4' energy: -64.181 flat angles P-C4'-P energy: -38.614 tors. eta vs tors. theta energy: -61.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -568.757362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.757362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.757362 (E_RNA) where: Base-Base interactions energy: -337.091 where: short stacking energy: -153.249 Base-Backbone interact. energy: -0.733 local terms energy: -230.933661 where: bonds (distance) C4'-P energy: -50.062 bonds (distance) P-C4' energy: -56.079 flat angles C4'-P-C4' energy: -60.042 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -24.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -313.068309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.068309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.068309 (E_RNA) where: Base-Base interactions energy: -129.851 where: short stacking energy: -79.736 Base-Backbone interact. energy: 6.248 local terms energy: -189.465600 where: bonds (distance) C4'-P energy: -66.745 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -53.534 flat angles P-C4'-P energy: -25.444 tors. eta vs tors. theta energy: 18.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -295.367917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.367917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.367917 (E_RNA) where: Base-Base interactions energy: -101.731 where: short stacking energy: -95.526 Base-Backbone interact. energy: 5.263 local terms energy: -198.900139 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -60.602 flat angles C4'-P-C4' energy: -45.605 flat angles P-C4'-P energy: -41.646 tors. eta vs tors. theta energy: 6.951 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: 1, replica: 5 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1143.264251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.264251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.264251 (E_RNA) where: Base-Base interactions energy: -765.783 where: short stacking energy: -300.888 Base-Backbone interact. energy: -2.704 local terms energy: -374.777065 where: bonds (distance) C4'-P energy: -69.787 bonds (distance) P-C4' energy: -74.725 flat angles C4'-P-C4' energy: -76.637 flat angles P-C4'-P energy: -61.088 tors. eta vs tors. theta energy: -92.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1031.516170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.516170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.516170 (E_RNA) where: Base-Base interactions energy: -665.015 where: short stacking energy: -321.096 Base-Backbone interact. energy: -0.220 local terms energy: -366.281340 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -64.876 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -100.076 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: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1010.198792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.198792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.198792 (E_RNA) where: Base-Base interactions energy: -686.481 where: short stacking energy: -319.273 Base-Backbone interact. energy: 0.472 local terms energy: -324.189924 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -78.570 flat angles P-C4'-P energy: -45.060 tors. eta vs tors. theta energy: -83.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -971.290901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.290901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.290901 (E_RNA) where: Base-Base interactions energy: -633.544 where: short stacking energy: -299.194 Base-Backbone interact. energy: -2.028 local terms energy: -335.718413 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -65.044 flat angles C4'-P-C4' energy: -75.145 flat angles P-C4'-P energy: -46.553 tors. eta vs tors. theta energy: -80.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -887.617584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.617584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.617584 (E_RNA) where: Base-Base interactions energy: -561.932 where: short stacking energy: -266.604 Base-Backbone interact. energy: 1.261 local terms energy: -326.946228 where: bonds (distance) C4'-P energy: -71.972 bonds (distance) P-C4' energy: -63.225 flat angles C4'-P-C4' energy: -72.923 flat angles P-C4'-P energy: -38.896 tors. eta vs tors. theta energy: -79.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -879.761003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.761003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.761003 (E_RNA) where: Base-Base interactions energy: -562.292 where: short stacking energy: -278.824 Base-Backbone interact. energy: -0.424 local terms energy: -317.044750 where: bonds (distance) C4'-P energy: -53.349 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -67.828 flat angles P-C4'-P energy: -39.818 tors. eta vs tors. theta energy: -90.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -761.485183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.485183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.485183 (E_RNA) where: Base-Base interactions energy: -499.728 where: short stacking energy: -232.707 Base-Backbone interact. energy: -0.166 local terms energy: -261.590605 where: bonds (distance) C4'-P energy: -67.177 bonds (distance) P-C4' energy: -49.555 flat angles C4'-P-C4' energy: -49.173 flat angles P-C4'-P energy: -41.063 tors. eta vs tors. theta energy: -54.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -580.107938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.107938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.107938 (E_RNA) where: Base-Base interactions energy: -375.827 where: short stacking energy: -181.492 Base-Backbone interact. energy: -0.713 local terms energy: -203.567421 where: bonds (distance) C4'-P energy: -54.306 bonds (distance) P-C4' energy: -42.445 flat angles C4'-P-C4' energy: -56.700 flat angles P-C4'-P energy: -25.440 tors. eta vs tors. theta energy: -24.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -297.705478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.705478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.705478 (E_RNA) where: Base-Base interactions energy: -112.703 where: short stacking energy: -71.573 Base-Backbone interact. energy: 1.117 local terms energy: -186.120270 where: bonds (distance) C4'-P energy: -64.889 bonds (distance) P-C4' energy: -65.487 flat angles C4'-P-C4' energy: -53.491 flat angles P-C4'-P energy: -27.163 tors. eta vs tors. theta energy: 24.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -288.241738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.241738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.241738 (E_RNA) where: Base-Base interactions energy: -83.197 where: short stacking energy: -78.183 Base-Backbone interact. energy: -0.747 local terms energy: -204.298549 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -62.951 flat angles P-C4'-P energy: -27.092 tors. eta vs tors. theta energy: 8.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1127.733042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.733042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.733042 (E_RNA) where: Base-Base interactions energy: -779.410 where: short stacking energy: -333.449 Base-Backbone interact. energy: 0.018 local terms energy: -348.340676 where: bonds (distance) C4'-P energy: -71.814 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -45.789 tors. eta vs tors. theta energy: -92.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1059.091098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.091098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.091098 (E_RNA) where: Base-Base interactions energy: -683.862 where: short stacking energy: -344.594 Base-Backbone interact. energy: -0.801 local terms energy: -374.427769 where: bonds (distance) C4'-P energy: -74.323 bonds (distance) P-C4' energy: -64.093 flat angles C4'-P-C4' energy: -85.973 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -103.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1018.225441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.225441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.225441 (E_RNA) where: Base-Base interactions energy: -702.596 where: short stacking energy: -288.033 Base-Backbone interact. energy: -3.405 local terms energy: -312.224301 where: bonds (distance) C4'-P energy: -49.965 bonds (distance) P-C4' energy: -68.449 flat angles C4'-P-C4' energy: -74.440 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -75.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -983.546244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.546244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.546244 (E_RNA) where: Base-Base interactions energy: -646.630 where: short stacking energy: -288.036 Base-Backbone interact. energy: -0.176 local terms energy: -336.740682 where: bonds (distance) C4'-P energy: -62.970 bonds (distance) P-C4' energy: -66.243 flat angles C4'-P-C4' energy: -76.437 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -84.055 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: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -886.423292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.423292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.423292 (E_RNA) where: Base-Base interactions energy: -565.416 where: short stacking energy: -270.501 Base-Backbone interact. energy: -0.766 local terms energy: -320.241270 where: bonds (distance) C4'-P energy: -66.363 bonds (distance) P-C4' energy: -69.484 flat angles C4'-P-C4' energy: -73.633 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: -63.555 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: 499 Temperature: 1.150000 Total energy: -863.391305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.391305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.391305 (E_RNA) where: Base-Base interactions energy: -549.763 where: short stacking energy: -240.154 Base-Backbone interact. energy: -2.197 local terms energy: -311.431534 where: bonds (distance) C4'-P energy: -53.035 bonds (distance) P-C4' energy: -65.972 flat angles C4'-P-C4' energy: -71.922 flat angles P-C4'-P energy: -47.821 tors. eta vs tors. theta energy: -72.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -728.798368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.798368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.798368 (E_RNA) where: Base-Base interactions energy: -460.790 where: short stacking energy: -213.567 Base-Backbone interact. energy: 0.239 local terms energy: -268.248084 where: bonds (distance) C4'-P energy: -52.754 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -36.998 tors. eta vs tors. theta energy: -45.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -562.112954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.112954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.112954 (E_RNA) where: Base-Base interactions energy: -328.837 where: short stacking energy: -161.577 Base-Backbone interact. energy: -1.522 local terms energy: -231.754212 where: bonds (distance) C4'-P energy: -50.578 bonds (distance) P-C4' energy: -45.697 flat angles C4'-P-C4' energy: -63.072 flat angles P-C4'-P energy: -39.177 tors. eta vs tors. theta energy: -33.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -335.395725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.395725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.395725 (E_RNA) where: Base-Base interactions energy: -135.133 where: short stacking energy: -85.181 Base-Backbone interact. energy: -0.688 local terms energy: -199.574126 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -52.383 flat angles P-C4'-P energy: -43.394 tors. eta vs tors. theta energy: 13.378 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: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -266.748331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.748331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.748331 (E_RNA) where: Base-Base interactions energy: -72.241 where: short stacking energy: -66.899 Base-Backbone interact. energy: -0.654 local terms energy: -193.853261 where: bonds (distance) C4'-P energy: -42.443 bonds (distance) P-C4' energy: -70.298 flat angles C4'-P-C4' energy: -59.932 flat angles P-C4'-P energy: -30.801 tors. eta vs tors. theta energy: 9.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1124.502310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.502310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.502310 (E_RNA) where: Base-Base interactions energy: -761.541 where: short stacking energy: -323.055 Base-Backbone interact. energy: -0.008 local terms energy: -362.953290 where: bonds (distance) C4'-P energy: -67.230 bonds (distance) P-C4' energy: -72.725 flat angles C4'-P-C4' energy: -76.687 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -97.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1064.625899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.625899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.625899 (E_RNA) where: Base-Base interactions energy: -711.843 where: short stacking energy: -341.927 Base-Backbone interact. energy: -0.860 local terms energy: -351.922887 where: bonds (distance) C4'-P energy: -62.554 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -72.813 flat angles P-C4'-P energy: -56.704 tors. eta vs tors. theta energy: -93.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1005.853599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.853599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.853599 (E_RNA) where: Base-Base interactions energy: -674.687 where: short stacking energy: -301.077 Base-Backbone interact. energy: 0.208 local terms energy: -331.374248 where: bonds (distance) C4'-P energy: -69.164 bonds (distance) P-C4' energy: -71.410 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -81.185 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: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -986.529803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.529803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.529803 (E_RNA) where: Base-Base interactions energy: -646.712 where: short stacking energy: -315.009 Base-Backbone interact. energy: -1.433 local terms energy: -338.384985 where: bonds (distance) C4'-P energy: -60.427 bonds (distance) P-C4' energy: -75.833 flat angles C4'-P-C4' energy: -69.590 flat angles P-C4'-P energy: -49.908 tors. eta vs tors. theta energy: -82.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -867.062231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.062231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.062231 (E_RNA) where: Base-Base interactions energy: -560.435 where: short stacking energy: -271.745 Base-Backbone interact. energy: 0.860 local terms energy: -307.486977 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -42.562 tors. eta vs tors. theta energy: -74.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -845.800397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.800397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.800397 (E_RNA) where: Base-Base interactions energy: -552.869 where: short stacking energy: -248.024 Base-Backbone interact. energy: -0.202 local terms energy: -292.729855 where: bonds (distance) C4'-P energy: -56.277 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -62.859 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: -65.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -724.325431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.325431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.325431 (E_RNA) where: Base-Base interactions energy: -458.808 where: short stacking energy: -202.504 Base-Backbone interact. energy: 0.148 local terms energy: -265.666342 where: bonds (distance) C4'-P energy: -65.948 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: -46.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -578.156761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.156761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.156761 (E_RNA) where: Base-Base interactions energy: -340.897 where: short stacking energy: -151.019 Base-Backbone interact. energy: 1.961 local terms energy: -239.220369 where: bonds (distance) C4'-P energy: -53.470 bonds (distance) P-C4' energy: -61.141 flat angles C4'-P-C4' energy: -55.259 flat angles P-C4'-P energy: -35.401 tors. eta vs tors. theta energy: -33.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -351.955870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.955870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.955870 (E_RNA) where: Base-Base interactions energy: -150.561 where: short stacking energy: -93.865 Base-Backbone interact. energy: 3.846 local terms energy: -205.240936 where: bonds (distance) C4'-P energy: -50.985 bonds (distance) P-C4' energy: -62.689 flat angles C4'-P-C4' energy: -55.982 flat angles P-C4'-P energy: -28.051 tors. eta vs tors. theta energy: -7.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -285.699913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.699913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.699913 (E_RNA) where: Base-Base interactions energy: -99.280 where: short stacking energy: -84.383 Base-Backbone interact. energy: -0.932 local terms energy: -185.488014 where: bonds (distance) C4'-P energy: -64.831 bonds (distance) P-C4' energy: -70.112 flat angles C4'-P-C4' energy: -41.162 flat angles P-C4'-P energy: -23.074 tors. eta vs tors. theta energy: 13.691 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: 5 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1126.244179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.244179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.244179 (E_RNA) where: Base-Base interactions energy: -764.003 where: short stacking energy: -329.287 Base-Backbone interact. energy: -2.318 local terms energy: -359.923041 where: bonds (distance) C4'-P energy: -76.007 bonds (distance) P-C4' energy: -65.022 flat angles C4'-P-C4' energy: -77.979 flat angles P-C4'-P energy: -49.380 tors. eta vs tors. theta energy: -91.535 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: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1057.135529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.135529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.135529 (E_RNA) where: Base-Base interactions energy: -709.063 where: short stacking energy: -328.595 Base-Backbone interact. energy: -2.436 local terms energy: -345.636056 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -67.853 flat angles C4'-P-C4' energy: -73.961 flat angles P-C4'-P energy: -53.114 tors. eta vs tors. theta energy: -95.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -998.464601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.464601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.464601 (E_RNA) where: Base-Base interactions energy: -654.503 where: short stacking energy: -301.155 Base-Backbone interact. energy: -0.640 local terms energy: -343.321755 where: bonds (distance) C4'-P energy: -65.337 bonds (distance) P-C4' energy: -68.462 flat angles C4'-P-C4' energy: -71.119 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: -92.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -962.999778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.999778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.999778 (E_RNA) where: Base-Base interactions energy: -634.672 where: short stacking energy: -276.642 Base-Backbone interact. energy: 1.555 local terms energy: -329.883683 where: bonds (distance) C4'-P energy: -48.266 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -79.535 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -88.515 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: 5, replica: 6 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -931.897760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.897760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.897760 (E_RNA) where: Base-Base interactions energy: -628.942 where: short stacking energy: -283.497 Base-Backbone interact. energy: -0.980 local terms energy: -301.975882 where: bonds (distance) C4'-P energy: -56.432 bonds (distance) P-C4' energy: -69.252 flat angles C4'-P-C4' energy: -61.571 flat angles P-C4'-P energy: -37.730 tors. eta vs tors. theta energy: -76.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -823.589360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.589360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.589360 (E_RNA) where: Base-Base interactions energy: -541.729 where: short stacking energy: -241.956 Base-Backbone interact. energy: -0.722 local terms energy: -281.138327 where: bonds (distance) C4'-P energy: -52.694 bonds (distance) P-C4' energy: -53.427 flat angles C4'-P-C4' energy: -73.898 flat angles P-C4'-P energy: -43.382 tors. eta vs tors. theta energy: -57.738 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: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -760.533364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.533364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.533364 (E_RNA) where: Base-Base interactions energy: -494.251 where: short stacking energy: -220.172 Base-Backbone interact. energy: -2.396 local terms energy: -263.886980 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -59.279 flat angles P-C4'-P energy: -32.361 tors. eta vs tors. theta energy: -47.857 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: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -559.314473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.314473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.314473 (E_RNA) where: Base-Base interactions energy: -330.889 where: short stacking energy: -175.795 Base-Backbone interact. energy: -1.898 local terms energy: -226.526732 where: bonds (distance) C4'-P energy: -55.903 bonds (distance) P-C4' energy: -69.058 flat angles C4'-P-C4' energy: -49.038 flat angles P-C4'-P energy: -33.343 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -298.878465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.878465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.878465 (E_RNA) where: Base-Base interactions energy: -102.406 where: short stacking energy: -91.551 Base-Backbone interact. energy: 0.572 local terms energy: -197.044904 where: bonds (distance) C4'-P energy: -57.432 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -46.028 flat angles P-C4'-P energy: -24.478 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -288.877618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.877618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.877618 (E_RNA) where: Base-Base interactions energy: -104.993 where: short stacking energy: -78.596 Base-Backbone interact. energy: 1.157 local terms energy: -185.042326 where: bonds (distance) C4'-P energy: -45.647 bonds (distance) P-C4' energy: -63.149 flat angles C4'-P-C4' energy: -46.661 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: 4.626 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) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 52818236 moves confirmed later: 56526301 all moves confirmed: 109344537 percent of confirmed moves: 13.668067 current total energy: -1074.043543 recalc. total energy: -1074.043543 replica 10 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 61335705 moves confirmed later: 67606529 all moves confirmed: 128942234 percent of confirmed moves: 16.117779 current total energy: -973.689598 recalc. total energy: -973.689598 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 89944352 moves confirmed later: 105133679 all moves confirmed: 195078031 percent of confirmed moves: 24.384754 current total energy: -884.733397 recalc. total energy: -884.733397 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 64443528 moves confirmed later: 71538824 all moves confirmed: 135982352 percent of confirmed moves: 16.997794 current total energy: -903.582749 recalc. total energy: -903.582749 replica 6 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 95740004 moves confirmed later: 112623678 all moves confirmed: 208363682 percent of confirmed moves: 26.045460 current total energy: -812.553935 recalc. total energy: -812.553935 replica 2 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 65023031 moves confirmed later: 71927981 all moves confirmed: 136951012 percent of confirmed moves: 17.118876 current total energy: -709.360822 recalc. total energy: -709.360822 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 78491684 moves confirmed later: 89502235 all moves confirmed: 167993919 percent of confirmed moves: 20.999240 current total energy: -611.995802 recalc. total energy: -611.995802 replica 1 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 119536241 moves confirmed later: 143064909 all moves confirmed: 262601150 percent of confirmed moves: 32.825144 current total energy: -444.503026 recalc. total energy: -444.503026 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 130155982 moves confirmed later: 157338163 all moves confirmed: 287494145 percent of confirmed moves: 35.936768 current total energy: -180.055103 recalc. total energy: -180.055103 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 98072323 moves confirmed later: 115604907 all moves confirmed: 213677230 percent of confirmed moves: 26.709654 current total energy: -175.496528 recalc. total energy: -175.496528 out arg RESULTS//1/utr1t-2316e438_01 Time of doing 8000000 iterations: 15659.901 seconds