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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-9ebf1a27/inputs/seq.fa: 1 curr_seq: _CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCAUACCGUGUGGUUGAGUGAAAUCAAAACUUCCACGAUAGCAAUGCUGAUUGGACAAAGAAUGUGUUGUGGACACAAAACCAAACUCUGGAGGACAGAGGAUUCAUUCCAAGGGUCUGCUUGUAUUCAAUGACUGGUCUACGUGGGGGUGUGAAGUCCCCUUACUCCACCUGUGAAGAGUCUUCCCAGUUUCAGACCACCCUCCCAGCCUCCUGUUAUUGGCUAAGGCCAUUUUGUGACUACACUGCAGGUAGAGAUGGAUUCCUGGA 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 1 Temperature: 0.950000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1089.276023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276023 (E_RNA) where: Base-Base interactions energy: -38.527 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1305.851698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.851698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.851698 (E_RNA) where: Base-Base interactions energy: -537.551 where: short stacking energy: -527.986 Base-Backbone interact. energy: -0.060 local terms energy: -768.240154 where: bonds (distance) C4'-P energy: -175.106 bonds (distance) P-C4' energy: -166.905 flat angles C4'-P-C4' energy: -172.936 flat angles P-C4'-P energy: -111.468 tors. eta vs tors. theta energy: -141.824 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1196.196156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.196156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.196156 (E_RNA) where: Base-Base interactions energy: -481.411 where: short stacking energy: -480.813 Base-Backbone interact. energy: -1.215 local terms energy: -713.570646 where: bonds (distance) C4'-P energy: -143.946 bonds (distance) P-C4' energy: -188.213 flat angles C4'-P-C4' energy: -171.737 flat angles P-C4'-P energy: -97.375 tors. eta vs tors. theta energy: -112.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1129.539835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.539835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.539835 (E_RNA) where: Base-Base interactions energy: -459.335 where: short stacking energy: -454.695 Base-Backbone interact. energy: -0.739 local terms energy: -669.465481 where: bonds (distance) C4'-P energy: -151.843 bonds (distance) P-C4' energy: -167.587 flat angles C4'-P-C4' energy: -160.572 flat angles P-C4'-P energy: -91.521 tors. eta vs tors. theta energy: -97.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1101.607828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.607828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.607828 (E_RNA) where: Base-Base interactions energy: -71.206 where: short stacking energy: -71.206 Base-Backbone interact. energy: -0.000 local terms energy: -1030.401148 where: bonds (distance) C4'-P energy: -248.525 bonds (distance) P-C4' energy: -229.865 flat angles C4'-P-C4' energy: -200.402 flat angles P-C4'-P energy: -223.851 tors. eta vs tors. theta energy: -127.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1100.180301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.180301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.180301 (E_RNA) where: Base-Base interactions energy: -68.672 where: short stacking energy: -68.672 Base-Backbone interact. energy: -0.000 local terms energy: -1031.508130 where: bonds (distance) C4'-P energy: -247.598 bonds (distance) P-C4' energy: -232.809 flat angles C4'-P-C4' energy: -199.968 flat angles P-C4'-P energy: -224.176 tors. eta vs tors. theta energy: -126.957 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1097.577662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.577662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.577662 (E_RNA) where: Base-Base interactions energy: -62.666 where: short stacking energy: -62.666 Base-Backbone interact. energy: -0.000 local terms energy: -1034.911875 where: bonds (distance) C4'-P energy: -249.871 bonds (distance) P-C4' energy: -235.500 flat angles C4'-P-C4' energy: -198.496 flat angles P-C4'-P energy: -224.486 tors. eta vs tors. theta energy: -126.559 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1097.906921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.906921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.906921 (E_RNA) where: Base-Base interactions energy: -63.376 where: short stacking energy: -63.376 Base-Backbone interact. energy: -0.000 local terms energy: -1034.530725 where: bonds (distance) C4'-P energy: -249.987 bonds (distance) P-C4' energy: -235.500 flat angles C4'-P-C4' energy: -198.532 flat angles P-C4'-P energy: -224.594 tors. eta vs tors. theta energy: -125.918 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1093.885071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.885071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.885071 (E_RNA) where: Base-Base interactions energy: -52.235 where: short stacking energy: -52.235 Base-Backbone interact. energy: -0.000 local terms energy: -1041.649454 where: bonds (distance) C4'-P energy: -257.458 bonds (distance) P-C4' energy: -237.191 flat angles C4'-P-C4' energy: -198.301 flat angles P-C4'-P energy: -225.725 tors. eta vs tors. theta energy: -122.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1093.824551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.824551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.824551 (E_RNA) where: Base-Base interactions energy: -67.774 where: short stacking energy: -67.774 Base-Backbone interact. energy: -0.000 local terms energy: -1026.049946 where: bonds (distance) C4'-P energy: -248.297 bonds (distance) P-C4' energy: -227.960 flat angles C4'-P-C4' energy: -199.419 flat angles P-C4'-P energy: -224.265 tors. eta vs tors. theta energy: -126.109 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1090.012527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.012527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.012527 (E_RNA) where: Base-Base interactions energy: -41.761 where: short stacking energy: -41.761 Base-Backbone interact. energy: -0.000 local terms energy: -1048.251603 where: bonds (distance) C4'-P energy: -261.121 bonds (distance) P-C4' energy: -242.190 flat angles C4'-P-C4' energy: -197.189 flat angles P-C4'-P energy: -226.607 tors. eta vs tors. theta energy: -121.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1327.805232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.805232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.805232 (E_RNA) where: Base-Base interactions energy: -575.895 where: short stacking energy: -559.881 Base-Backbone interact. energy: 1.004 local terms energy: -752.914130 where: bonds (distance) C4'-P energy: -176.524 bonds (distance) P-C4' energy: -167.843 flat angles C4'-P-C4' energy: -191.511 flat angles P-C4'-P energy: -84.556 tors. eta vs tors. theta energy: -132.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1235.414970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.414970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.414970 (E_RNA) where: Base-Base interactions energy: -499.764 where: short stacking energy: -499.542 Base-Backbone interact. energy: 0.126 local terms energy: -735.776651 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -152.274 flat angles C4'-P-C4' energy: -170.494 flat angles P-C4'-P energy: -111.847 tors. eta vs tors. theta energy: -129.881 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1148.752599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.752599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.752599 (E_RNA) where: Base-Base interactions energy: -473.180 where: short stacking energy: -430.531 Base-Backbone interact. energy: -0.126 local terms energy: -675.446306 where: bonds (distance) C4'-P energy: -159.010 bonds (distance) P-C4' energy: -166.742 flat angles C4'-P-C4' energy: -163.510 flat angles P-C4'-P energy: -93.513 tors. eta vs tors. theta energy: -92.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1071.073647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.073647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.073647 (E_RNA) where: Base-Base interactions energy: -449.139 where: short stacking energy: -438.945 Base-Backbone interact. energy: 0.267 local terms energy: -622.201826 where: bonds (distance) C4'-P energy: -126.140 bonds (distance) P-C4' energy: -152.900 flat angles C4'-P-C4' energy: -155.534 flat angles P-C4'-P energy: -90.818 tors. eta vs tors. theta energy: -96.810 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -949.705048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.705048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.705048 (E_RNA) where: Base-Base interactions energy: -383.677 where: short stacking energy: -353.566 Base-Backbone interact. energy: 2.473 local terms energy: -568.500568 where: bonds (distance) C4'-P energy: -126.283 bonds (distance) P-C4' energy: -137.005 flat angles C4'-P-C4' energy: -142.279 flat angles P-C4'-P energy: -92.883 tors. eta vs tors. theta energy: -70.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -885.246186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.246186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.246186 (E_RNA) where: Base-Base interactions energy: -346.193 where: short stacking energy: -318.074 Base-Backbone interact. energy: -0.923 local terms energy: -538.130291 where: bonds (distance) C4'-P energy: -132.011 bonds (distance) P-C4' energy: -153.412 flat angles C4'-P-C4' energy: -145.068 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -32.422 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -840.546771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.546771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.546771 (E_RNA) where: Base-Base interactions energy: -311.463 where: short stacking energy: -286.222 Base-Backbone interact. energy: -1.021 local terms energy: -528.062901 where: bonds (distance) C4'-P energy: -136.595 bonds (distance) P-C4' energy: -166.016 flat angles C4'-P-C4' energy: -120.675 flat angles P-C4'-P energy: -75.542 tors. eta vs tors. theta energy: -29.235 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -742.754335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.754335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.754335 (E_RNA) where: Base-Base interactions energy: -235.040 where: short stacking energy: -225.757 Base-Backbone interact. energy: -0.959 local terms energy: -506.755662 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -158.656 flat angles C4'-P-C4' energy: -129.328 flat angles P-C4'-P energy: -75.493 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -706.951082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.951082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.951082 (E_RNA) where: Base-Base interactions energy: -240.272 where: short stacking energy: -233.406 Base-Backbone interact. energy: 1.282 local terms energy: -467.961356 where: bonds (distance) C4'-P energy: -128.457 bonds (distance) P-C4' energy: -138.247 flat angles C4'-P-C4' energy: -111.258 flat angles P-C4'-P energy: -80.573 tors. eta vs tors. theta energy: -9.427 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -610.388771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.388771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.388771 (E_RNA) where: Base-Base interactions energy: -184.937 where: short stacking energy: -163.603 Base-Backbone interact. energy: -3.281 local terms energy: -422.169978 where: bonds (distance) C4'-P energy: -152.520 bonds (distance) P-C4' energy: -136.352 flat angles C4'-P-C4' energy: -103.611 flat angles P-C4'-P energy: -60.710 tors. eta vs tors. theta energy: 31.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1346.513369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.513369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.513369 (E_RNA) where: Base-Base interactions energy: -579.328 where: short stacking energy: -565.227 Base-Backbone interact. energy: -0.269 local terms energy: -766.916703 where: bonds (distance) C4'-P energy: -168.540 bonds (distance) P-C4' energy: -170.851 flat angles C4'-P-C4' energy: -162.973 flat angles P-C4'-P energy: -102.901 tors. eta vs tors. theta energy: -161.651 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1228.200982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.200982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.200982 (E_RNA) where: Base-Base interactions energy: -529.750 where: short stacking energy: -496.984 Base-Backbone interact. energy: 0.323 local terms energy: -698.774415 where: bonds (distance) C4'-P energy: -148.774 bonds (distance) P-C4' energy: -177.319 flat angles C4'-P-C4' energy: -155.037 flat angles P-C4'-P energy: -106.551 tors. eta vs tors. theta energy: -111.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1258.257148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.257148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.257148 (E_RNA) where: Base-Base interactions energy: -565.207 where: short stacking energy: -460.064 Base-Backbone interact. energy: -1.209 local terms energy: -691.841065 where: bonds (distance) C4'-P energy: -164.092 bonds (distance) P-C4' energy: -171.588 flat angles C4'-P-C4' energy: -162.514 flat angles P-C4'-P energy: -103.000 tors. eta vs tors. theta energy: -90.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1047.149648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.149648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.149648 (E_RNA) where: Base-Base interactions energy: -412.440 where: short stacking energy: -404.294 Base-Backbone interact. energy: 1.381 local terms energy: -636.090990 where: bonds (distance) C4'-P energy: -144.560 bonds (distance) P-C4' energy: -167.162 flat angles C4'-P-C4' energy: -142.205 flat angles P-C4'-P energy: -101.895 tors. eta vs tors. theta energy: -80.269 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -976.405374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.405374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.405374 (E_RNA) where: Base-Base interactions energy: -434.557 where: short stacking energy: -378.285 Base-Backbone interact. energy: 1.806 local terms energy: -543.653896 where: bonds (distance) C4'-P energy: -136.870 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -127.129 flat angles P-C4'-P energy: -89.680 tors. eta vs tors. theta energy: -69.213 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: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -947.490449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.490449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.490449 (E_RNA) where: Base-Base interactions energy: -404.706 where: short stacking energy: -308.909 Base-Backbone interact. energy: -3.889 local terms energy: -538.895415 where: bonds (distance) C4'-P energy: -135.588 bonds (distance) P-C4' energy: -142.892 flat angles C4'-P-C4' energy: -127.951 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -42.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -832.114150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.114150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.114150 (E_RNA) where: Base-Base interactions energy: -276.652 where: short stacking energy: -260.564 Base-Backbone interact. energy: -1.357 local terms energy: -554.105168 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -145.122 flat angles C4'-P-C4' energy: -156.928 flat angles P-C4'-P energy: -101.828 tors. eta vs tors. theta energy: -24.435 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -764.432308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.432308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.432308 (E_RNA) where: Base-Base interactions energy: -282.427 where: short stacking energy: -219.273 Base-Backbone interact. energy: 2.773 local terms energy: -484.778513 where: bonds (distance) C4'-P energy: -133.434 bonds (distance) P-C4' energy: -156.217 flat angles C4'-P-C4' energy: -126.772 flat angles P-C4'-P energy: -76.175 tors. eta vs tors. theta energy: 7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -675.074200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.074200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.074200 (E_RNA) where: Base-Base interactions energy: -241.019 where: short stacking energy: -225.826 Base-Backbone interact. energy: 1.578 local terms energy: -435.633439 where: bonds (distance) C4'-P energy: -116.471 bonds (distance) P-C4' energy: -126.841 flat angles C4'-P-C4' energy: -117.387 flat angles P-C4'-P energy: -91.968 tors. eta vs tors. theta energy: 17.034 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: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -638.157062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.157062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.157062 (E_RNA) where: Base-Base interactions energy: -207.240 where: short stacking energy: -157.673 Base-Backbone interact. energy: -0.641 local terms energy: -430.275555 where: bonds (distance) C4'-P energy: -112.001 bonds (distance) P-C4' energy: -137.103 flat angles C4'-P-C4' energy: -126.875 flat angles P-C4'-P energy: -72.296 tors. eta vs tors. theta energy: 18.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1379.859804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.859804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.859804 (E_RNA) where: Base-Base interactions energy: -599.889 where: short stacking energy: -587.617 Base-Backbone interact. energy: 1.745 local terms energy: -781.715069 where: bonds (distance) C4'-P energy: -190.561 bonds (distance) P-C4' energy: -180.550 flat angles C4'-P-C4' energy: -161.726 flat angles P-C4'-P energy: -107.424 tors. eta vs tors. theta energy: -141.455 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1307.976965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.976965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.976965 (E_RNA) where: Base-Base interactions energy: -558.932 where: short stacking energy: -547.356 Base-Backbone interact. energy: -0.520 local terms energy: -748.525247 where: bonds (distance) C4'-P energy: -156.914 bonds (distance) P-C4' energy: -173.613 flat angles C4'-P-C4' energy: -168.197 flat angles P-C4'-P energy: -110.500 tors. eta vs tors. theta energy: -139.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1236.210436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.210436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.210436 (E_RNA) where: Base-Base interactions energy: -549.313 where: short stacking energy: -440.055 Base-Backbone interact. energy: -1.644 local terms energy: -685.253246 where: bonds (distance) C4'-P energy: -157.885 bonds (distance) P-C4' energy: -169.396 flat angles C4'-P-C4' energy: -161.324 flat angles P-C4'-P energy: -95.813 tors. eta vs tors. theta energy: -100.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1059.556029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.556029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.556029 (E_RNA) where: Base-Base interactions energy: -438.380 where: short stacking energy: -417.241 Base-Backbone interact. energy: 0.604 local terms energy: -621.780169 where: bonds (distance) C4'-P energy: -146.808 bonds (distance) P-C4' energy: -179.001 flat angles C4'-P-C4' energy: -145.967 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -69.702 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -965.392673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.392673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.392673 (E_RNA) where: Base-Base interactions energy: -376.853 where: short stacking energy: -348.243 Base-Backbone interact. energy: 1.004 local terms energy: -589.542740 where: bonds (distance) C4'-P energy: -146.395 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -149.228 flat angles P-C4'-P energy: -108.965 tors. eta vs tors. theta energy: -51.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1033.562858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.562858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.562858 (E_RNA) where: Base-Base interactions energy: -462.300 where: short stacking energy: -354.852 Base-Backbone interact. energy: 0.541 local terms energy: -571.804343 where: bonds (distance) C4'-P energy: -142.798 bonds (distance) P-C4' energy: -151.252 flat angles C4'-P-C4' energy: -132.471 flat angles P-C4'-P energy: -81.143 tors. eta vs tors. theta energy: -64.140 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: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -810.220424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.220424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.220424 (E_RNA) where: Base-Base interactions energy: -307.883 where: short stacking energy: -264.520 Base-Backbone interact. energy: -1.379 local terms energy: -500.958038 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -126.133 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -838.360786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.360786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.360786 (E_RNA) where: Base-Base interactions energy: -329.175 where: short stacking energy: -235.359 Base-Backbone interact. energy: 0.851 local terms energy: -510.035826 where: bonds (distance) C4'-P energy: -134.357 bonds (distance) P-C4' energy: -157.408 flat angles C4'-P-C4' energy: -131.910 flat angles P-C4'-P energy: -93.837 tors. eta vs tors. theta energy: 7.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -749.716200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.716200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.716200 (E_RNA) where: Base-Base interactions energy: -305.884 where: short stacking energy: -211.292 Base-Backbone interact. energy: -0.751 local terms energy: -443.081130 where: bonds (distance) C4'-P energy: -109.898 bonds (distance) P-C4' energy: -140.040 flat angles C4'-P-C4' energy: -125.706 flat angles P-C4'-P energy: -87.996 tors. eta vs tors. theta energy: 20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -606.959563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.959563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.959563 (E_RNA) where: Base-Base interactions energy: -211.427 where: short stacking energy: -188.577 Base-Backbone interact. energy: 3.935 local terms energy: -399.467420 where: bonds (distance) C4'-P energy: -123.182 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -115.903 flat angles P-C4'-P energy: -63.889 tors. eta vs tors. theta energy: 43.744 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1376.523987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.523987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.523987 (E_RNA) where: Base-Base interactions energy: -600.802 where: short stacking energy: -594.623 Base-Backbone interact. energy: -1.449 local terms energy: -774.273343 where: bonds (distance) C4'-P energy: -159.097 bonds (distance) P-C4' energy: -167.013 flat angles C4'-P-C4' energy: -178.963 flat angles P-C4'-P energy: -116.038 tors. eta vs tors. theta energy: -153.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1249.101318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.101318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.101318 (E_RNA) where: Base-Base interactions energy: -594.586 where: short stacking energy: -446.678 Base-Backbone interact. energy: -0.495 local terms energy: -654.020250 where: bonds (distance) C4'-P energy: -145.533 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -170.949 flat angles P-C4'-P energy: -101.560 tors. eta vs tors. theta energy: -76.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1301.768245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.768245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.768245 (E_RNA) where: Base-Base interactions energy: -651.175 where: short stacking energy: -493.375 Base-Backbone interact. energy: -0.020 local terms energy: -650.573380 where: bonds (distance) C4'-P energy: -145.695 bonds (distance) P-C4' energy: -153.359 flat angles C4'-P-C4' energy: -181.675 flat angles P-C4'-P energy: -75.179 tors. eta vs tors. theta energy: -94.665 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: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1084.412505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.412505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.412505 (E_RNA) where: Base-Base interactions energy: -429.126 where: short stacking energy: -377.556 Base-Backbone interact. energy: -1.565 local terms energy: -653.720960 where: bonds (distance) C4'-P energy: -156.566 bonds (distance) P-C4' energy: -178.395 flat angles C4'-P-C4' energy: -152.601 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -77.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1199.455974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.455974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.455974 (E_RNA) where: Base-Base interactions energy: -613.684 where: short stacking energy: -385.078 Base-Backbone interact. energy: -1.025 local terms energy: -584.746898 where: bonds (distance) C4'-P energy: -132.857 bonds (distance) P-C4' energy: -149.951 flat angles C4'-P-C4' energy: -144.523 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -60.603 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: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -936.101652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.101652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.101652 (E_RNA) where: Base-Base interactions energy: -385.394 where: short stacking energy: -325.254 Base-Backbone interact. energy: 6.109 local terms energy: -556.816704 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -156.081 flat angles C4'-P-C4' energy: -145.918 flat angles P-C4'-P energy: -83.987 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: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -880.461800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.461800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.461800 (E_RNA) where: Base-Base interactions energy: -355.687 where: short stacking energy: -288.924 Base-Backbone interact. energy: 2.842 local terms energy: -527.617136 where: bonds (distance) C4'-P energy: -145.076 bonds (distance) P-C4' energy: -146.923 flat angles C4'-P-C4' energy: -146.542 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -23.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -717.023347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.023347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.023347 (E_RNA) where: Base-Base interactions energy: -280.549 where: short stacking energy: -224.289 Base-Backbone interact. energy: 2.719 local terms energy: -439.193334 where: bonds (distance) C4'-P energy: -128.512 bonds (distance) P-C4' energy: -143.519 flat angles C4'-P-C4' energy: -102.397 flat angles P-C4'-P energy: -81.608 tors. eta vs tors. theta energy: 16.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -753.203942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.203942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.203942 (E_RNA) where: Base-Base interactions energy: -306.208 where: short stacking energy: -205.113 Base-Backbone interact. energy: -0.239 local terms energy: -446.757783 where: bonds (distance) C4'-P energy: -137.399 bonds (distance) P-C4' energy: -135.009 flat angles C4'-P-C4' energy: -116.343 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: 3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -643.778491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.778491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.778491 (E_RNA) where: Base-Base interactions energy: -201.989 where: short stacking energy: -175.668 Base-Backbone interact. energy: 5.118 local terms energy: -446.907792 where: bonds (distance) C4'-P energy: -138.996 bonds (distance) P-C4' energy: -154.673 flat angles C4'-P-C4' energy: -121.796 flat angles P-C4'-P energy: -62.516 tors. eta vs tors. theta energy: 31.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1399.946876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.946876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.946876 (E_RNA) where: Base-Base interactions energy: -583.663 where: short stacking energy: -525.101 Base-Backbone interact. energy: -0.236 local terms energy: -816.047802 where: bonds (distance) C4'-P energy: -185.683 bonds (distance) P-C4' energy: -186.801 flat angles C4'-P-C4' energy: -167.089 flat angles P-C4'-P energy: -123.179 tors. eta vs tors. theta energy: -153.295 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: 7 Temperature: 0.950000 Total energy: -1417.580123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.580123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.580123 (E_RNA) where: Base-Base interactions energy: -677.045 where: short stacking energy: -518.713 Base-Backbone interact. energy: -1.195 local terms energy: -739.340300 where: bonds (distance) C4'-P energy: -171.947 bonds (distance) P-C4' energy: -168.639 flat angles C4'-P-C4' energy: -165.775 flat angles P-C4'-P energy: -110.997 tors. eta vs tors. theta energy: -121.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1329.566889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.566889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.566889 (E_RNA) where: Base-Base interactions energy: -618.066 where: short stacking energy: -418.139 Base-Backbone interact. energy: -0.205 local terms energy: -711.295754 where: bonds (distance) C4'-P energy: -154.814 bonds (distance) P-C4' energy: -169.897 flat angles C4'-P-C4' energy: -181.211 flat angles P-C4'-P energy: -109.253 tors. eta vs tors. theta energy: -96.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1257.366617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.366617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.366617 (E_RNA) where: Base-Base interactions energy: -611.187 where: short stacking energy: -413.072 Base-Backbone interact. energy: -0.932 local terms energy: -645.247387 where: bonds (distance) C4'-P energy: -155.892 bonds (distance) P-C4' energy: -146.364 flat angles C4'-P-C4' energy: -161.316 flat angles P-C4'-P energy: -99.308 tors. eta vs tors. theta energy: -82.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1068.910381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.910381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.910381 (E_RNA) where: Base-Base interactions energy: -441.965 where: short stacking energy: -395.840 Base-Backbone interact. energy: 0.175 local terms energy: -627.120868 where: bonds (distance) C4'-P energy: -159.604 bonds (distance) P-C4' energy: -153.173 flat angles C4'-P-C4' energy: -149.216 flat angles P-C4'-P energy: -96.552 tors. eta vs tors. theta energy: -68.576 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -948.724718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.724718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.724718 (E_RNA) where: Base-Base interactions energy: -405.772 where: short stacking energy: -320.103 Base-Backbone interact. energy: 0.545 local terms energy: -543.497620 where: bonds (distance) C4'-P energy: -146.188 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -125.134 flat angles P-C4'-P energy: -82.965 tors. eta vs tors. theta energy: -36.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -923.914864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.914864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.914864 (E_RNA) where: Base-Base interactions energy: -372.680 where: short stacking energy: -261.968 Base-Backbone interact. energy: 7.607 local terms energy: -558.841745 where: bonds (distance) C4'-P energy: -149.727 bonds (distance) P-C4' energy: -160.303 flat angles C4'-P-C4' energy: -157.447 flat angles P-C4'-P energy: -74.139 tors. eta vs tors. theta energy: -17.226 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: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -826.610435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.610435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.610435 (E_RNA) where: Base-Base interactions energy: -316.525 where: short stacking energy: -240.457 Base-Backbone interact. energy: -1.796 local terms energy: -508.289471 where: bonds (distance) C4'-P energy: -140.099 bonds (distance) P-C4' energy: -158.824 flat angles C4'-P-C4' energy: -133.590 flat angles P-C4'-P energy: -67.186 tors. eta vs tors. theta energy: -8.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -764.059148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.059148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.059148 (E_RNA) where: Base-Base interactions energy: -335.878 where: short stacking energy: -227.825 Base-Backbone interact. energy: 1.754 local terms energy: -429.935236 where: bonds (distance) C4'-P energy: -114.786 bonds (distance) P-C4' energy: -129.620 flat angles C4'-P-C4' energy: -117.546 flat angles P-C4'-P energy: -78.317 tors. eta vs tors. theta energy: 10.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -578.987510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.987510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.987510 (E_RNA) where: Base-Base interactions energy: -175.846 where: short stacking energy: -142.444 Base-Backbone interact. energy: -2.329 local terms energy: -400.811647 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -126.612 flat angles C4'-P-C4' energy: -103.146 flat angles P-C4'-P energy: -61.861 tors. eta vs tors. theta energy: 22.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1507.051388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.051388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.051388 (E_RNA) where: Base-Base interactions energy: -707.574 where: short stacking energy: -601.993 Base-Backbone interact. energy: -0.342 local terms energy: -799.135307 where: bonds (distance) C4'-P energy: -159.897 bonds (distance) P-C4' energy: -179.315 flat angles C4'-P-C4' energy: -178.949 flat angles P-C4'-P energy: -117.853 tors. eta vs tors. theta energy: -163.121 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1438.940029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.940029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.940029 (E_RNA) where: Base-Base interactions energy: -742.467 where: short stacking energy: -500.660 Base-Backbone interact. energy: -2.365 local terms energy: -694.108791 where: bonds (distance) C4'-P energy: -159.679 bonds (distance) P-C4' energy: -171.502 flat angles C4'-P-C4' energy: -166.050 flat angles P-C4'-P energy: -87.199 tors. eta vs tors. theta energy: -109.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1443.908282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.908282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.908282 (E_RNA) where: Base-Base interactions energy: -728.579 where: short stacking energy: -494.849 Base-Backbone interact. energy: 0.624 local terms energy: -715.952679 where: bonds (distance) C4'-P energy: -174.264 bonds (distance) P-C4' energy: -159.158 flat angles C4'-P-C4' energy: -159.754 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -125.047 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: 7 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1256.116412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.116412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.116412 (E_RNA) where: Base-Base interactions energy: -639.103 where: short stacking energy: -393.976 Base-Backbone interact. energy: -3.478 local terms energy: -613.535364 where: bonds (distance) C4'-P energy: -163.782 bonds (distance) P-C4' energy: -143.572 flat angles C4'-P-C4' energy: -155.651 flat angles P-C4'-P energy: -93.746 tors. eta vs tors. theta energy: -56.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1083.787334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.787334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.787334 (E_RNA) where: Base-Base interactions energy: -471.900 where: short stacking energy: -361.905 Base-Backbone interact. energy: 8.021 local terms energy: -619.908368 where: bonds (distance) C4'-P energy: -150.326 bonds (distance) P-C4' energy: -161.368 flat angles C4'-P-C4' energy: -152.315 flat angles P-C4'-P energy: -99.706 tors. eta vs tors. theta energy: -56.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -974.550512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.550512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.550512 (E_RNA) where: Base-Base interactions energy: -413.331 where: short stacking energy: -288.708 Base-Backbone interact. energy: -2.421 local terms energy: -558.798746 where: bonds (distance) C4'-P energy: -156.767 bonds (distance) P-C4' energy: -140.435 flat angles C4'-P-C4' energy: -146.637 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -33.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -950.297100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.297100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.297100 (E_RNA) where: Base-Base interactions energy: -428.971 where: short stacking energy: -282.261 Base-Backbone interact. energy: -4.484 local terms energy: -516.842101 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -148.640 flat angles C4'-P-C4' energy: -104.783 flat angles P-C4'-P energy: -87.919 tors. eta vs tors. theta energy: -26.569 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -818.616579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.616579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.616579 (E_RNA) where: Base-Base interactions energy: -346.279 where: short stacking energy: -240.521 Base-Backbone interact. energy: 0.672 local terms energy: -473.009227 where: bonds (distance) C4'-P energy: -141.808 bonds (distance) P-C4' energy: -123.066 flat angles C4'-P-C4' energy: -133.286 flat angles P-C4'-P energy: -76.902 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: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -777.717032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.717032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.717032 (E_RNA) where: Base-Base interactions energy: -333.423 where: short stacking energy: -241.272 Base-Backbone interact. energy: 0.161 local terms energy: -444.455267 where: bonds (distance) C4'-P energy: -130.650 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -118.928 flat angles P-C4'-P energy: -59.017 tors. eta vs tors. theta energy: 7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -608.366340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.366340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.366340 (E_RNA) where: Base-Base interactions energy: -177.943 where: short stacking energy: -163.684 Base-Backbone interact. energy: -0.291 local terms energy: -430.132740 where: bonds (distance) C4'-P energy: -135.052 bonds (distance) P-C4' energy: -140.387 flat angles C4'-P-C4' energy: -110.651 flat angles P-C4'-P energy: -60.353 tors. eta vs tors. theta energy: 16.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1480.833394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.833394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.833394 (E_RNA) where: Base-Base interactions energy: -735.505 where: short stacking energy: -515.253 Base-Backbone interact. energy: 1.814 local terms energy: -747.143137 where: bonds (distance) C4'-P energy: -168.054 bonds (distance) P-C4' energy: -176.360 flat angles C4'-P-C4' energy: -171.954 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -127.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1577.516585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.516585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.516585 (E_RNA) where: Base-Base interactions energy: -860.728 where: short stacking energy: -602.692 Base-Backbone interact. energy: -0.280 local terms energy: -716.507839 where: bonds (distance) C4'-P energy: -147.277 bonds (distance) P-C4' energy: -159.361 flat angles C4'-P-C4' energy: -164.508 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -144.138 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: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1410.618029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.618029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.618029 (E_RNA) where: Base-Base interactions energy: -748.743 where: short stacking energy: -445.281 Base-Backbone interact. energy: -0.598 local terms energy: -661.276843 where: bonds (distance) C4'-P energy: -154.367 bonds (distance) P-C4' energy: -164.127 flat angles C4'-P-C4' energy: -152.344 flat angles P-C4'-P energy: -95.300 tors. eta vs tors. theta energy: -95.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1291.420490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.420490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.420490 (E_RNA) where: Base-Base interactions energy: -663.364 where: short stacking energy: -418.269 Base-Backbone interact. energy: 1.240 local terms energy: -629.296369 where: bonds (distance) C4'-P energy: -149.796 bonds (distance) P-C4' energy: -145.037 flat angles C4'-P-C4' energy: -161.775 flat angles P-C4'-P energy: -97.464 tors. eta vs tors. theta energy: -75.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1145.476135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.476135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.476135 (E_RNA) where: Base-Base interactions energy: -552.081 where: short stacking energy: -362.533 Base-Backbone interact. energy: -0.014 local terms energy: -593.381029 where: bonds (distance) C4'-P energy: -152.199 bonds (distance) P-C4' energy: -156.135 flat angles C4'-P-C4' energy: -134.196 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -71.787 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: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1074.020702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.020702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.020702 (E_RNA) where: Base-Base interactions energy: -536.316 where: short stacking energy: -359.481 Base-Backbone interact. energy: 4.974 local terms energy: -542.678122 where: bonds (distance) C4'-P energy: -140.427 bonds (distance) P-C4' energy: -167.720 flat angles C4'-P-C4' energy: -131.100 flat angles P-C4'-P energy: -65.513 tors. eta vs tors. theta energy: -37.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -900.986468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.986468 (E_RNA) where: Base-Base interactions energy: -403.505 where: short stacking energy: -260.123 Base-Backbone interact. energy: 0.005 local terms energy: -497.486753 where: bonds (distance) C4'-P energy: -141.841 bonds (distance) P-C4' energy: -140.119 flat angles C4'-P-C4' energy: -125.683 flat angles P-C4'-P energy: -87.188 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -838.261133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.261133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.261133 (E_RNA) where: Base-Base interactions energy: -375.084 where: short stacking energy: -273.250 Base-Backbone interact. energy: 0.254 local terms energy: -463.431628 where: bonds (distance) C4'-P energy: -142.260 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -128.450 flat angles P-C4'-P energy: -64.236 tors. eta vs tors. theta energy: 3.248 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -768.845152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.845152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.845152 (E_RNA) where: Base-Base interactions energy: -345.546 where: short stacking energy: -228.213 Base-Backbone interact. energy: -4.495 local terms energy: -418.803506 where: bonds (distance) C4'-P energy: -123.823 bonds (distance) P-C4' energy: -123.866 flat angles C4'-P-C4' energy: -138.433 flat angles P-C4'-P energy: -47.870 tors. eta vs tors. theta energy: 15.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -626.224271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.224271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.224271 (E_RNA) where: Base-Base interactions energy: -244.261 where: short stacking energy: -211.788 Base-Backbone interact. energy: -1.169 local terms energy: -380.793856 where: bonds (distance) C4'-P energy: -122.196 bonds (distance) P-C4' energy: -123.344 flat angles C4'-P-C4' energy: -103.076 flat angles P-C4'-P energy: -63.771 tors. eta vs tors. theta energy: 31.593 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: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1725.430518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.430518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.430518 (E_RNA) where: Base-Base interactions energy: -957.357 where: short stacking energy: -602.913 Base-Backbone interact. energy: -2.688 local terms energy: -765.385890 where: bonds (distance) C4'-P energy: -159.711 bonds (distance) P-C4' energy: -152.200 flat angles C4'-P-C4' energy: -187.098 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -161.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1420.880209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.880209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.880209 (E_RNA) where: Base-Base interactions energy: -700.638 where: short stacking energy: -546.765 Base-Backbone interact. energy: -0.857 local terms energy: -719.385473 where: bonds (distance) C4'-P energy: -157.782 bonds (distance) P-C4' energy: -158.914 flat angles C4'-P-C4' energy: -169.472 flat angles P-C4'-P energy: -103.577 tors. eta vs tors. theta energy: -129.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1445.761524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.761524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.761524 (E_RNA) where: Base-Base interactions energy: -761.287 where: short stacking energy: -482.490 Base-Backbone interact. energy: -0.130 local terms energy: -684.344605 where: bonds (distance) C4'-P energy: -155.168 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -171.217 flat angles P-C4'-P energy: -91.694 tors. eta vs tors. theta energy: -107.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1339.969342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.969342 (E_RNA) where: Base-Base interactions energy: -707.542 where: short stacking energy: -443.198 Base-Backbone interact. energy: 0.509 local terms energy: -632.936346 where: bonds (distance) C4'-P energy: -143.915 bonds (distance) P-C4' energy: -156.479 flat angles C4'-P-C4' energy: -144.377 flat angles P-C4'-P energy: -97.178 tors. eta vs tors. theta energy: -90.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1208.014763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.014763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.014763 (E_RNA) where: Base-Base interactions energy: -604.024 where: short stacking energy: -422.421 Base-Backbone interact. energy: 0.818 local terms energy: -604.808597 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -145.789 flat angles P-C4'-P energy: -82.552 tors. eta vs tors. theta energy: -83.809 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: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1098.649174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.649174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.649174 (E_RNA) where: Base-Base interactions energy: -552.541 where: short stacking energy: -342.163 Base-Backbone interact. energy: 1.211 local terms energy: -547.319531 where: bonds (distance) C4'-P energy: -130.936 bonds (distance) P-C4' energy: -150.368 flat angles C4'-P-C4' energy: -127.896 flat angles P-C4'-P energy: -82.931 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: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -837.627508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.627508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.627508 (E_RNA) where: Base-Base interactions energy: -371.903 where: short stacking energy: -280.772 Base-Backbone interact. energy: -3.103 local terms energy: -462.620823 where: bonds (distance) C4'-P energy: -113.614 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -122.218 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -7.982 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: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -746.586474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.586474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.586474 (E_RNA) where: Base-Base interactions energy: -282.263 where: short stacking energy: -237.462 Base-Backbone interact. energy: -2.294 local terms energy: -462.028982 where: bonds (distance) C4'-P energy: -140.116 bonds (distance) P-C4' energy: -141.711 flat angles C4'-P-C4' energy: -125.789 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: 16.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -726.407477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.407477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.407477 (E_RNA) where: Base-Base interactions energy: -286.149 where: short stacking energy: -213.902 Base-Backbone interact. energy: 0.162 local terms energy: -440.420649 where: bonds (distance) C4'-P energy: -132.786 bonds (distance) P-C4' energy: -131.845 flat angles C4'-P-C4' energy: -110.980 flat angles P-C4'-P energy: -64.944 tors. eta vs tors. theta energy: 0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -616.533195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.533195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.533195 (E_RNA) where: Base-Base interactions energy: -222.487 where: short stacking energy: -193.791 Base-Backbone interact. energy: 10.001 local terms energy: -404.047020 where: bonds (distance) C4'-P energy: -129.378 bonds (distance) P-C4' energy: -132.906 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: 16.621 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: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1759.959824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.959824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.959824 (E_RNA) where: Base-Base interactions energy: -949.568 where: short stacking energy: -619.062 Base-Backbone interact. energy: -0.582 local terms energy: -809.810053 where: bonds (distance) C4'-P energy: -168.594 bonds (distance) P-C4' energy: -183.773 flat angles C4'-P-C4' energy: -169.161 flat angles P-C4'-P energy: -122.381 tors. eta vs tors. theta energy: -165.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1584.837832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.837832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.837832 (E_RNA) where: Base-Base interactions energy: -850.618 where: short stacking energy: -550.717 Base-Backbone interact. energy: -0.101 local terms energy: -734.118039 where: bonds (distance) C4'-P energy: -179.663 bonds (distance) P-C4' energy: -155.437 flat angles C4'-P-C4' energy: -162.503 flat angles P-C4'-P energy: -104.925 tors. eta vs tors. theta energy: -131.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1275.867906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.867906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.867906 (E_RNA) where: Base-Base interactions energy: -588.527 where: short stacking energy: -451.389 Base-Backbone interact. energy: 1.861 local terms energy: -689.201578 where: bonds (distance) C4'-P energy: -161.755 bonds (distance) P-C4' energy: -162.002 flat angles C4'-P-C4' energy: -156.861 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -104.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1338.160007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.160007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.160007 (E_RNA) where: Base-Base interactions energy: -697.786 where: short stacking energy: -443.613 Base-Backbone interact. energy: 3.860 local terms energy: -644.234550 where: bonds (distance) C4'-P energy: -156.037 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -174.066 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -80.655 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: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1196.226833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.226833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.226833 (E_RNA) where: Base-Base interactions energy: -577.685 where: short stacking energy: -386.171 Base-Backbone interact. energy: 1.071 local terms energy: -619.612660 where: bonds (distance) C4'-P energy: -132.274 bonds (distance) P-C4' energy: -160.480 flat angles C4'-P-C4' energy: -133.637 flat angles P-C4'-P energy: -112.319 tors. eta vs tors. theta energy: -80.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1161.601113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.601113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.601113 (E_RNA) where: Base-Base interactions energy: -595.064 where: short stacking energy: -334.365 Base-Backbone interact. energy: -2.639 local terms energy: -563.898562 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -142.401 flat angles C4'-P-C4' energy: -138.241 flat angles P-C4'-P energy: -90.370 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: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -802.702220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.702220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.702220 (E_RNA) where: Base-Base interactions energy: -297.498 where: short stacking energy: -218.130 Base-Backbone interact. energy: -3.359 local terms energy: -501.844387 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -142.002 flat angles C4'-P-C4' energy: -146.340 flat angles P-C4'-P energy: -75.023 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -803.908424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.908424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.908424 (E_RNA) where: Base-Base interactions energy: -309.216 where: short stacking energy: -258.417 Base-Backbone interact. energy: 2.009 local terms energy: -496.701813 where: bonds (distance) C4'-P energy: -155.938 bonds (distance) P-C4' energy: -157.752 flat angles C4'-P-C4' energy: -102.280 flat angles P-C4'-P energy: -66.504 tors. eta vs tors. theta energy: -14.227 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -674.835239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.835239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.835239 (E_RNA) where: Base-Base interactions energy: -227.207 where: short stacking energy: -200.670 Base-Backbone interact. energy: 5.502 local terms energy: -453.130336 where: bonds (distance) C4'-P energy: -145.922 bonds (distance) P-C4' energy: -131.765 flat angles C4'-P-C4' energy: -107.325 flat angles P-C4'-P energy: -72.215 tors. eta vs tors. theta energy: 4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -609.110214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.110214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.110214 (E_RNA) where: Base-Base interactions energy: -238.679 where: short stacking energy: -176.821 Base-Backbone interact. energy: 1.666 local terms energy: -372.097703 where: bonds (distance) C4'-P energy: -111.694 bonds (distance) P-C4' energy: -149.822 flat angles C4'-P-C4' energy: -84.557 flat angles P-C4'-P energy: -67.810 tors. eta vs tors. theta energy: 41.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1743.099753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.099753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.099753 (E_RNA) where: Base-Base interactions energy: -966.165 where: short stacking energy: -620.687 Base-Backbone interact. energy: -0.613 local terms energy: -776.320819 where: bonds (distance) C4'-P energy: -169.012 bonds (distance) P-C4' energy: -169.438 flat angles C4'-P-C4' energy: -169.454 flat angles P-C4'-P energy: -106.198 tors. eta vs tors. theta energy: -162.219 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: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1541.532521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.532521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.532521 (E_RNA) where: Base-Base interactions energy: -855.708 where: short stacking energy: -527.284 Base-Backbone interact. energy: 0.065 local terms energy: -685.889648 where: bonds (distance) C4'-P energy: -147.118 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -166.040 flat angles P-C4'-P energy: -106.799 tors. eta vs tors. theta energy: -101.944 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: 7 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1524.609739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.609739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.609739 (E_RNA) where: Base-Base interactions energy: -852.066 where: short stacking energy: -521.071 Base-Backbone interact. energy: 2.016 local terms energy: -674.560102 where: bonds (distance) C4'-P energy: -140.351 bonds (distance) P-C4' energy: -159.554 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -100.440 tors. eta vs tors. theta energy: -117.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1161.000365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.000365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.000365 (E_RNA) where: Base-Base interactions energy: -529.833 where: short stacking energy: -386.559 Base-Backbone interact. energy: -0.440 local terms energy: -630.726898 where: bonds (distance) C4'-P energy: -159.999 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -157.670 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -65.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1385.588490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.588490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.588490 (E_RNA) where: Base-Base interactions energy: -771.715 where: short stacking energy: -418.168 Base-Backbone interact. energy: -3.111 local terms energy: -610.761734 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -152.627 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -98.802 tors. eta vs tors. theta energy: -75.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1104.143583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.143583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.143583 (E_RNA) where: Base-Base interactions energy: -547.819 where: short stacking energy: -328.211 Base-Backbone interact. energy: 0.572 local terms energy: -556.896756 where: bonds (distance) C4'-P energy: -160.016 bonds (distance) P-C4' energy: -154.266 flat angles C4'-P-C4' energy: -140.357 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -38.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -871.285706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.285706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.285706 (E_RNA) where: Base-Base interactions energy: -363.964 where: short stacking energy: -282.838 Base-Backbone interact. energy: -1.226 local terms energy: -506.095229 where: bonds (distance) C4'-P energy: -135.318 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -124.832 flat angles P-C4'-P energy: -97.928 tors. eta vs tors. theta energy: -5.670 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: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -714.792299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.792299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.792299 (E_RNA) where: Base-Base interactions energy: -266.289 where: short stacking energy: -202.058 Base-Backbone interact. energy: -3.107 local terms energy: -445.395885 where: bonds (distance) C4'-P energy: -134.557 bonds (distance) P-C4' energy: -145.351 flat angles C4'-P-C4' energy: -138.717 flat angles P-C4'-P energy: -63.502 tors. eta vs tors. theta energy: 36.731 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: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -657.605149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.605149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.605149 (E_RNA) where: Base-Base interactions energy: -250.173 where: short stacking energy: -210.669 Base-Backbone interact. energy: -0.652 local terms energy: -406.780505 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -116.934 flat angles C4'-P-C4' energy: -107.542 flat angles P-C4'-P energy: -71.656 tors. eta vs tors. theta energy: 15.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -623.207691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.207691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.207691 (E_RNA) where: Base-Base interactions energy: -215.086 where: short stacking energy: -204.059 Base-Backbone interact. energy: 2.033 local terms energy: -410.155041 where: bonds (distance) C4'-P energy: -118.340 bonds (distance) P-C4' energy: -123.842 flat angles C4'-P-C4' energy: -97.573 flat angles P-C4'-P energy: -71.074 tors. eta vs tors. theta energy: 0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1792.206792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.206792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.206792 (E_RNA) where: Base-Base interactions energy: -1021.123 where: short stacking energy: -629.126 Base-Backbone interact. energy: 1.541 local terms energy: -772.625208 where: bonds (distance) C4'-P energy: -151.751 bonds (distance) P-C4' energy: -170.508 flat angles C4'-P-C4' energy: -171.819 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -170.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1632.600499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.600499 (E_RNA) where: Base-Base interactions energy: -881.538 where: short stacking energy: -545.921 Base-Backbone interact. energy: -1.769 local terms energy: -749.293894 where: bonds (distance) C4'-P energy: -178.030 bonds (distance) P-C4' energy: -173.783 flat angles C4'-P-C4' energy: -173.995 flat angles P-C4'-P energy: -95.755 tors. eta vs tors. theta energy: -127.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1578.698939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.698939 (E_RNA) where: Base-Base interactions energy: -876.208 where: short stacking energy: -492.514 Base-Backbone interact. energy: -1.438 local terms energy: -701.053131 where: bonds (distance) C4'-P energy: -155.254 bonds (distance) P-C4' energy: -167.142 flat angles C4'-P-C4' energy: -150.544 flat angles P-C4'-P energy: -103.571 tors. eta vs tors. theta energy: -124.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1592.920132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.920132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.920132 (E_RNA) where: Base-Base interactions energy: -909.907 where: short stacking energy: -492.423 Base-Backbone interact. energy: -3.542 local terms energy: -679.471004 where: bonds (distance) C4'-P energy: -137.765 bonds (distance) P-C4' energy: -161.144 flat angles C4'-P-C4' energy: -161.271 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -112.252 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: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1116.614240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.614240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.614240 (E_RNA) where: Base-Base interactions energy: -493.556 where: short stacking energy: -351.906 Base-Backbone interact. energy: 0.508 local terms energy: -623.566028 where: bonds (distance) C4'-P energy: -162.147 bonds (distance) P-C4' energy: -144.136 flat angles C4'-P-C4' energy: -145.382 flat angles P-C4'-P energy: -103.188 tors. eta vs tors. theta energy: -68.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1134.890826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.890826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.890826 (E_RNA) where: Base-Base interactions energy: -567.384 where: short stacking energy: -323.444 Base-Backbone interact. energy: 3.991 local terms energy: -571.498141 where: bonds (distance) C4'-P energy: -136.461 bonds (distance) P-C4' energy: -151.985 flat angles C4'-P-C4' energy: -138.389 flat angles P-C4'-P energy: -94.502 tors. eta vs tors. theta energy: -50.162 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: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -889.225162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.225162 (E_RNA) where: Base-Base interactions energy: -383.446 where: short stacking energy: -249.391 Base-Backbone interact. energy: -1.614 local terms energy: -504.165481 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -157.662 flat angles C4'-P-C4' energy: -131.658 flat angles P-C4'-P energy: -69.392 tors. eta vs tors. theta energy: -4.344 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: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -765.376351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.376351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.376351 (E_RNA) where: Base-Base interactions energy: -310.925 where: short stacking energy: -255.164 Base-Backbone interact. energy: 4.777 local terms energy: -459.228347 where: bonds (distance) C4'-P energy: -132.870 bonds (distance) P-C4' energy: -125.821 flat angles C4'-P-C4' energy: -120.213 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: 13.660 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: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -742.159943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.159943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.159943 (E_RNA) where: Base-Base interactions energy: -314.850 where: short stacking energy: -231.803 Base-Backbone interact. energy: 3.949 local terms energy: -431.259528 where: bonds (distance) C4'-P energy: -111.132 bonds (distance) P-C4' energy: -134.757 flat angles C4'-P-C4' energy: -136.735 flat angles P-C4'-P energy: -52.705 tors. eta vs tors. theta energy: 4.069 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: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -616.198296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.198296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.198296 (E_RNA) where: Base-Base interactions energy: -217.371 where: short stacking energy: -163.950 Base-Backbone interact. energy: 0.064 local terms energy: -398.891426 where: bonds (distance) C4'-P energy: -98.727 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -55.840 tors. eta vs tors. theta energy: 36.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1866.865537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.865537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.865537 (E_RNA) where: Base-Base interactions energy: -1067.752 where: short stacking energy: -618.897 Base-Backbone interact. energy: 0.220 local terms energy: -799.333265 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -172.516 flat angles C4'-P-C4' energy: -169.261 flat angles P-C4'-P energy: -133.390 tors. eta vs tors. theta energy: -162.232 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: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1686.743889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.743889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.743889 (E_RNA) where: Base-Base interactions energy: -919.371 where: short stacking energy: -584.616 Base-Backbone interact. energy: -2.602 local terms energy: -764.771479 where: bonds (distance) C4'-P energy: -168.069 bonds (distance) P-C4' energy: -164.635 flat angles C4'-P-C4' energy: -166.281 flat angles P-C4'-P energy: -111.990 tors. eta vs tors. theta energy: -153.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1813.529162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.529162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.529162 (E_RNA) where: Base-Base interactions energy: -1108.059 where: short stacking energy: -552.892 Base-Backbone interact. energy: -5.018 local terms energy: -700.452160 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -167.922 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -92.785 tors. eta vs tors. theta energy: -140.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1554.342789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.342789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.342789 (E_RNA) where: Base-Base interactions energy: -869.943 where: short stacking energy: -515.614 Base-Backbone interact. energy: -2.368 local terms energy: -682.032479 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -152.775 flat angles C4'-P-C4' energy: -162.817 flat angles P-C4'-P energy: -108.335 tors. eta vs tors. theta energy: -118.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1083.671446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.671446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.671446 (E_RNA) where: Base-Base interactions energy: -487.571 where: short stacking energy: -359.432 Base-Backbone interact. energy: -2.762 local terms energy: -593.338402 where: bonds (distance) C4'-P energy: -142.319 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -132.699 flat angles P-C4'-P energy: -111.116 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: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1140.419299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.419299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.419299 (E_RNA) where: Base-Base interactions energy: -564.323 where: short stacking energy: -353.943 Base-Backbone interact. energy: -0.723 local terms energy: -575.372952 where: bonds (distance) C4'-P energy: -117.389 bonds (distance) P-C4' energy: -164.707 flat angles C4'-P-C4' energy: -140.934 flat angles P-C4'-P energy: -81.619 tors. eta vs tors. theta energy: -70.724 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: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -895.097741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.097741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.097741 (E_RNA) where: Base-Base interactions energy: -382.085 where: short stacking energy: -270.080 Base-Backbone interact. energy: 1.011 local terms energy: -514.024392 where: bonds (distance) C4'-P energy: -145.043 bonds (distance) P-C4' energy: -146.488 flat angles C4'-P-C4' energy: -137.700 flat angles P-C4'-P energy: -92.553 tors. eta vs tors. theta energy: 7.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -864.298222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.298222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.298222 (E_RNA) where: Base-Base interactions energy: -354.913 where: short stacking energy: -263.824 Base-Backbone interact. energy: -1.697 local terms energy: -507.688508 where: bonds (distance) C4'-P energy: -131.102 bonds (distance) P-C4' energy: -161.741 flat angles C4'-P-C4' energy: -105.869 flat angles P-C4'-P energy: -93.074 tors. eta vs tors. theta energy: -15.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -764.002862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.002862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.002862 (E_RNA) where: Base-Base interactions energy: -353.196 where: short stacking energy: -219.253 Base-Backbone interact. energy: 2.296 local terms energy: -413.102820 where: bonds (distance) C4'-P energy: -120.852 bonds (distance) P-C4' energy: -132.674 flat angles C4'-P-C4' energy: -119.971 flat angles P-C4'-P energy: -63.666 tors. eta vs tors. theta energy: 24.060 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: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -585.156608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.156608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.156608 (E_RNA) where: Base-Base interactions energy: -208.732 where: short stacking energy: -151.542 Base-Backbone interact. energy: -2.448 local terms energy: -373.976624 where: bonds (distance) C4'-P energy: -128.233 bonds (distance) P-C4' energy: -123.536 flat angles C4'-P-C4' energy: -106.365 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: 28.183 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: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1895.649054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.649054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.649054 (E_RNA) where: Base-Base interactions energy: -1075.153 where: short stacking energy: -669.965 Base-Backbone interact. energy: -6.732 local terms energy: -813.764018 where: bonds (distance) C4'-P energy: -171.309 bonds (distance) P-C4' energy: -167.751 flat angles C4'-P-C4' energy: -166.126 flat angles P-C4'-P energy: -122.241 tors. eta vs tors. theta energy: -186.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1984.551023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.551023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.551023 (E_RNA) where: Base-Base interactions energy: -1206.014 where: short stacking energy: -647.445 Base-Backbone interact. energy: -1.759 local terms energy: -776.778369 where: bonds (distance) C4'-P energy: -165.437 bonds (distance) P-C4' energy: -161.093 flat angles C4'-P-C4' energy: -174.032 flat angles P-C4'-P energy: -115.385 tors. eta vs tors. theta energy: -160.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1583.050964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.050964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.050964 (E_RNA) where: Base-Base interactions energy: -871.535 where: short stacking energy: -544.342 Base-Backbone interact. energy: 0.525 local terms energy: -712.040895 where: bonds (distance) C4'-P energy: -157.571 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -178.641 flat angles P-C4'-P energy: -105.506 tors. eta vs tors. theta energy: -120.251 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: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1609.181076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.181076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.181076 (E_RNA) where: Base-Base interactions energy: -938.181 where: short stacking energy: -487.854 Base-Backbone interact. energy: 0.151 local terms energy: -671.150606 where: bonds (distance) C4'-P energy: -154.689 bonds (distance) P-C4' energy: -146.181 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -102.531 tors. eta vs tors. theta energy: -112.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1080.205015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.205015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.205015 (E_RNA) where: Base-Base interactions energy: -472.671 where: short stacking energy: -368.362 Base-Backbone interact. energy: -0.848 local terms energy: -606.685597 where: bonds (distance) C4'-P energy: -147.355 bonds (distance) P-C4' energy: -148.289 flat angles C4'-P-C4' energy: -163.931 flat angles P-C4'-P energy: -89.791 tors. eta vs tors. theta energy: -57.320 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: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1161.642349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.642349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.642349 (E_RNA) where: Base-Base interactions energy: -593.179 where: short stacking energy: -326.210 Base-Backbone interact. energy: -3.327 local terms energy: -565.136644 where: bonds (distance) C4'-P energy: -144.678 bonds (distance) P-C4' energy: -150.412 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -96.722 tors. eta vs tors. theta energy: -38.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -951.459799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.459799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.459799 (E_RNA) where: Base-Base interactions energy: -433.417 where: short stacking energy: -279.258 Base-Backbone interact. energy: -0.525 local terms energy: -517.518041 where: bonds (distance) C4'-P energy: -141.622 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -136.278 flat angles P-C4'-P energy: -77.453 tors. eta vs tors. theta energy: -17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -928.500613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.500613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.500613 (E_RNA) where: Base-Base interactions energy: -432.944 where: short stacking energy: -282.536 Base-Backbone interact. energy: -3.091 local terms energy: -492.465745 where: bonds (distance) C4'-P energy: -142.210 bonds (distance) P-C4' energy: -144.643 flat angles C4'-P-C4' energy: -100.201 flat angles P-C4'-P energy: -74.074 tors. eta vs tors. theta energy: -31.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -802.183115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.183115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.183115 (E_RNA) where: Base-Base interactions energy: -350.551 where: short stacking energy: -229.409 Base-Backbone interact. energy: 6.772 local terms energy: -458.404548 where: bonds (distance) C4'-P energy: -142.724 bonds (distance) P-C4' energy: -137.695 flat angles C4'-P-C4' energy: -111.149 flat angles P-C4'-P energy: -63.502 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: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -644.776849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.776849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.776849 (E_RNA) where: Base-Base interactions energy: -237.432 where: short stacking energy: -167.353 Base-Backbone interact. energy: 3.236 local terms energy: -410.581246 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -132.988 flat angles C4'-P-C4' energy: -115.176 flat angles P-C4'-P energy: -67.480 tors. eta vs tors. theta energy: 27.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2099.346454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.346454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.346454 (E_RNA) where: Base-Base interactions energy: -1294.448 where: short stacking energy: -680.630 Base-Backbone interact. energy: -3.132 local terms energy: -801.765655 where: bonds (distance) C4'-P energy: -169.822 bonds (distance) P-C4' energy: -173.603 flat angles C4'-P-C4' energy: -172.452 flat angles P-C4'-P energy: -106.601 tors. eta vs tors. theta energy: -179.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1829.403148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.403148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.403148 (E_RNA) where: Base-Base interactions energy: -1051.081 where: short stacking energy: -637.755 Base-Backbone interact. energy: -0.886 local terms energy: -777.435820 where: bonds (distance) C4'-P energy: -166.188 bonds (distance) P-C4' energy: -154.782 flat angles C4'-P-C4' energy: -165.195 flat angles P-C4'-P energy: -111.229 tors. eta vs tors. theta energy: -180.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1819.301595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.301595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.301595 (E_RNA) where: Base-Base interactions energy: -1070.624 where: short stacking energy: -569.773 Base-Backbone interact. energy: -2.153 local terms energy: -746.525357 where: bonds (distance) C4'-P energy: -152.977 bonds (distance) P-C4' energy: -166.880 flat angles C4'-P-C4' energy: -181.247 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -157.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1445.896881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.896881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.896881 (E_RNA) where: Base-Base interactions energy: -763.204 where: short stacking energy: -443.535 Base-Backbone interact. energy: 0.096 local terms energy: -682.788761 where: bonds (distance) C4'-P energy: -163.458 bonds (distance) P-C4' energy: -166.425 flat angles C4'-P-C4' energy: -156.817 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -99.897 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: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1311.986457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.986457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.986457 (E_RNA) where: Base-Base interactions energy: -700.513 where: short stacking energy: -408.122 Base-Backbone interact. energy: 2.313 local terms energy: -613.786291 where: bonds (distance) C4'-P energy: -145.184 bonds (distance) P-C4' energy: -141.634 flat angles C4'-P-C4' energy: -149.368 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -82.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -994.704551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.704551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.704551 (E_RNA) where: Base-Base interactions energy: -437.188 where: short stacking energy: -325.693 Base-Backbone interact. energy: -0.147 local terms energy: -557.368736 where: bonds (distance) C4'-P energy: -142.272 bonds (distance) P-C4' energy: -153.775 flat angles C4'-P-C4' energy: -126.580 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -56.447 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: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -975.000725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.000725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.000725 (E_RNA) where: Base-Base interactions energy: -449.911 where: short stacking energy: -329.629 Base-Backbone interact. energy: 0.391 local terms energy: -525.480833 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -146.049 flat angles C4'-P-C4' energy: -140.047 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -36.409 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: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -887.018339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.018339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.018339 (E_RNA) where: Base-Base interactions energy: -412.074 where: short stacking energy: -265.635 Base-Backbone interact. energy: -1.297 local terms energy: -473.647779 where: bonds (distance) C4'-P energy: -135.303 bonds (distance) P-C4' energy: -143.187 flat angles C4'-P-C4' energy: -113.552 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -14.141 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: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -776.063566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.063566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.063566 (E_RNA) where: Base-Base interactions energy: -313.365 where: short stacking energy: -194.738 Base-Backbone interact. energy: -2.534 local terms energy: -460.164154 where: bonds (distance) C4'-P energy: -125.840 bonds (distance) P-C4' energy: -139.244 flat angles C4'-P-C4' energy: -140.126 flat angles P-C4'-P energy: -84.387 tors. eta vs tors. theta energy: 29.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -623.907676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.907676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.907676 (E_RNA) where: Base-Base interactions energy: -230.061 where: short stacking energy: -179.860 Base-Backbone interact. energy: 5.804 local terms energy: -399.650508 where: bonds (distance) C4'-P energy: -119.709 bonds (distance) P-C4' energy: -139.189 flat angles C4'-P-C4' energy: -112.006 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: 24.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2068.770461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.770461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.770461 (E_RNA) where: Base-Base interactions energy: -1241.658 where: short stacking energy: -662.241 Base-Backbone interact. energy: -5.953 local terms energy: -821.159043 where: bonds (distance) C4'-P energy: -146.899 bonds (distance) P-C4' energy: -170.669 flat angles C4'-P-C4' energy: -187.907 flat angles P-C4'-P energy: -137.673 tors. eta vs tors. theta energy: -178.011 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: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1866.824283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.824283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.824283 (E_RNA) where: Base-Base interactions energy: -1122.027 where: short stacking energy: -585.420 Base-Backbone interact. energy: 0.708 local terms energy: -745.505820 where: bonds (distance) C4'-P energy: -163.639 bonds (distance) P-C4' energy: -165.634 flat angles C4'-P-C4' energy: -171.939 flat angles P-C4'-P energy: -111.886 tors. eta vs tors. theta energy: -132.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1691.497833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.497833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.497833 (E_RNA) where: Base-Base interactions energy: -963.167 where: short stacking energy: -549.763 Base-Backbone interact. energy: -4.260 local terms energy: -724.070803 where: bonds (distance) C4'-P energy: -139.905 bonds (distance) P-C4' energy: -154.392 flat angles C4'-P-C4' energy: -161.641 flat angles P-C4'-P energy: -120.603 tors. eta vs tors. theta energy: -147.530 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: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1493.988626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.988626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.988626 (E_RNA) where: Base-Base interactions energy: -839.696 where: short stacking energy: -471.289 Base-Backbone interact. energy: -0.550 local terms energy: -653.742670 where: bonds (distance) C4'-P energy: -155.161 bonds (distance) P-C4' energy: -146.394 flat angles C4'-P-C4' energy: -156.708 flat angles P-C4'-P energy: -92.060 tors. eta vs tors. theta energy: -103.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1341.014919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.014919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.014919 (E_RNA) where: Base-Base interactions energy: -737.518 where: short stacking energy: -376.616 Base-Backbone interact. energy: -1.957 local terms energy: -601.539559 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -146.401 flat angles P-C4'-P energy: -103.348 tors. eta vs tors. theta energy: -55.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -983.129001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.129001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.129001 (E_RNA) where: Base-Base interactions energy: -411.825 where: short stacking energy: -326.244 Base-Backbone interact. energy: 4.025 local terms energy: -575.328982 where: bonds (distance) C4'-P energy: -160.210 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -147.090 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -42.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -926.691783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.691783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.691783 (E_RNA) where: Base-Base interactions energy: -403.034 where: short stacking energy: -278.537 Base-Backbone interact. energy: 1.377 local terms energy: -525.034850 where: bonds (distance) C4'-P energy: -131.597 bonds (distance) P-C4' energy: -141.872 flat angles C4'-P-C4' energy: -148.609 flat angles P-C4'-P energy: -83.784 tors. eta vs tors. theta energy: -19.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -908.749357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.749357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.749357 (E_RNA) where: Base-Base interactions energy: -396.640 where: short stacking energy: -257.855 Base-Backbone interact. energy: 1.121 local terms energy: -513.229941 where: bonds (distance) C4'-P energy: -134.438 bonds (distance) P-C4' energy: -137.880 flat angles C4'-P-C4' energy: -131.315 flat angles P-C4'-P energy: -80.273 tors. eta vs tors. theta energy: -29.324 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -744.317976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.317976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.317976 (E_RNA) where: Base-Base interactions energy: -339.460 where: short stacking energy: -204.665 Base-Backbone interact. energy: -1.809 local terms energy: -403.049024 where: bonds (distance) C4'-P energy: -135.372 bonds (distance) P-C4' energy: -134.023 flat angles C4'-P-C4' energy: -118.389 flat angles P-C4'-P energy: -57.765 tors. eta vs tors. theta energy: 42.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -627.816632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.816632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.816632 (E_RNA) where: Base-Base interactions energy: -233.265 where: short stacking energy: -192.290 Base-Backbone interact. energy: 3.726 local terms energy: -398.277825 where: bonds (distance) C4'-P energy: -131.382 bonds (distance) P-C4' energy: -143.324 flat angles C4'-P-C4' energy: -112.707 flat angles P-C4'-P energy: -41.268 tors. eta vs tors. theta energy: 30.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2031.839281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.839281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.839281 (E_RNA) where: Base-Base interactions energy: -1227.327 where: short stacking energy: -661.992 Base-Backbone interact. energy: -0.002 local terms energy: -804.510955 where: bonds (distance) C4'-P energy: -153.982 bonds (distance) P-C4' energy: -179.078 flat angles C4'-P-C4' energy: -182.000 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -173.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1885.268916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.268916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.268916 (E_RNA) where: Base-Base interactions energy: -1144.076 where: short stacking energy: -609.177 Base-Backbone interact. energy: 0.758 local terms energy: -741.950878 where: bonds (distance) C4'-P energy: -165.345 bonds (distance) P-C4' energy: -165.546 flat angles C4'-P-C4' energy: -164.522 flat angles P-C4'-P energy: -93.575 tors. eta vs tors. theta energy: -152.962 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: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1666.248422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.248422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.248422 (E_RNA) where: Base-Base interactions energy: -942.236 where: short stacking energy: -542.572 Base-Backbone interact. energy: -1.057 local terms energy: -722.954826 where: bonds (distance) C4'-P energy: -143.881 bonds (distance) P-C4' energy: -165.605 flat angles C4'-P-C4' energy: -169.938 flat angles P-C4'-P energy: -96.687 tors. eta vs tors. theta energy: -146.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1521.433585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.433585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.433585 (E_RNA) where: Base-Base interactions energy: -859.342 where: short stacking energy: -501.599 Base-Backbone interact. energy: 1.226 local terms energy: -663.317964 where: bonds (distance) C4'-P energy: -138.548 bonds (distance) P-C4' energy: -141.714 flat angles C4'-P-C4' energy: -167.518 flat angles P-C4'-P energy: -98.594 tors. eta vs tors. theta energy: -116.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1578.292447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.292447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.292447 (E_RNA) where: Base-Base interactions energy: -929.846 where: short stacking energy: -504.456 Base-Backbone interact. energy: -3.330 local terms energy: -645.116382 where: bonds (distance) C4'-P energy: -113.672 bonds (distance) P-C4' energy: -154.637 flat angles C4'-P-C4' energy: -170.563 flat angles P-C4'-P energy: -79.689 tors. eta vs tors. theta energy: -126.556 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: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1019.246570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.246570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.246570 (E_RNA) where: Base-Base interactions energy: -486.970 where: short stacking energy: -324.343 Base-Backbone interact. energy: -2.876 local terms energy: -529.400276 where: bonds (distance) C4'-P energy: -150.706 bonds (distance) P-C4' energy: -144.935 flat angles C4'-P-C4' energy: -123.899 flat angles P-C4'-P energy: -71.889 tors. eta vs tors. theta energy: -37.971 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: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -980.345111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.345111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.345111 (E_RNA) where: Base-Base interactions energy: -489.848 where: short stacking energy: -320.952 Base-Backbone interact. energy: 1.450 local terms energy: -491.946964 where: bonds (distance) C4'-P energy: -125.512 bonds (distance) P-C4' energy: -135.418 flat angles C4'-P-C4' energy: -134.965 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -40.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -811.151466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.151466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.151466 (E_RNA) where: Base-Base interactions energy: -333.945 where: short stacking energy: -242.494 Base-Backbone interact. energy: 3.828 local terms energy: -481.033944 where: bonds (distance) C4'-P energy: -147.154 bonds (distance) P-C4' energy: -148.629 flat angles C4'-P-C4' energy: -109.707 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: 5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -711.376217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.376217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.376217 (E_RNA) where: Base-Base interactions energy: -308.291 where: short stacking energy: -193.239 Base-Backbone interact. energy: 1.430 local terms energy: -404.515188 where: bonds (distance) C4'-P energy: -131.017 bonds (distance) P-C4' energy: -131.541 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -55.481 tors. eta vs tors. theta energy: 25.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -643.281927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.281927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.281927 (E_RNA) where: Base-Base interactions energy: -231.336 where: short stacking energy: -183.958 Base-Backbone interact. energy: -2.391 local terms energy: -409.554396 where: bonds (distance) C4'-P energy: -109.980 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -111.249 flat angles P-C4'-P energy: -60.496 tors. eta vs tors. theta energy: 10.169 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: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2173.013880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.013880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.013880 (E_RNA) where: Base-Base interactions energy: -1346.381 where: short stacking energy: -707.367 Base-Backbone interact. energy: -1.949 local terms energy: -824.683260 where: bonds (distance) C4'-P energy: -162.670 bonds (distance) P-C4' energy: -174.092 flat angles C4'-P-C4' energy: -177.462 flat angles P-C4'-P energy: -109.085 tors. eta vs tors. theta energy: -201.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1893.733506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.733506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.733506 (E_RNA) where: Base-Base interactions energy: -1168.363 where: short stacking energy: -575.033 Base-Backbone interact. energy: 1.336 local terms energy: -726.706075 where: bonds (distance) C4'-P energy: -163.057 bonds (distance) P-C4' energy: -164.091 flat angles C4'-P-C4' energy: -154.276 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -137.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1679.314917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.314917 (E_RNA) where: Base-Base interactions energy: -944.039 where: short stacking energy: -552.876 Base-Backbone interact. energy: 4.930 local terms energy: -740.205059 where: bonds (distance) C4'-P energy: -169.574 bonds (distance) P-C4' energy: -158.747 flat angles C4'-P-C4' energy: -174.678 flat angles P-C4'-P energy: -106.674 tors. eta vs tors. theta energy: -130.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1713.576802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.576802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.576802 (E_RNA) where: Base-Base interactions energy: -1052.591 where: short stacking energy: -515.853 Base-Backbone interact. energy: -0.450 local terms energy: -660.536144 where: bonds (distance) C4'-P energy: -142.796 bonds (distance) P-C4' energy: -145.261 flat angles C4'-P-C4' energy: -172.641 flat angles P-C4'-P energy: -86.830 tors. eta vs tors. theta energy: -113.008 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: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1429.798029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.798029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.798029 (E_RNA) where: Base-Base interactions energy: -804.468 where: short stacking energy: -428.796 Base-Backbone interact. energy: -1.912 local terms energy: -623.418011 where: bonds (distance) C4'-P energy: -143.503 bonds (distance) P-C4' energy: -140.650 flat angles C4'-P-C4' energy: -153.665 flat angles P-C4'-P energy: -83.353 tors. eta vs tors. theta energy: -102.247 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: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1256.271688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.271688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.271688 (E_RNA) where: Base-Base interactions energy: -690.860 where: short stacking energy: -361.077 Base-Backbone interact. energy: -2.663 local terms energy: -562.748960 where: bonds (distance) C4'-P energy: -139.568 bonds (distance) P-C4' energy: -153.222 flat angles C4'-P-C4' energy: -144.681 flat angles P-C4'-P energy: -70.499 tors. eta vs tors. theta energy: -54.778 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: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -968.546409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.546409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.546409 (E_RNA) where: Base-Base interactions energy: -439.320 where: short stacking energy: -279.185 Base-Backbone interact. energy: -2.200 local terms energy: -527.026397 where: bonds (distance) C4'-P energy: -141.273 bonds (distance) P-C4' energy: -155.284 flat angles C4'-P-C4' energy: -141.139 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -13.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -817.213356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.213356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.213356 (E_RNA) where: Base-Base interactions energy: -313.741 where: short stacking energy: -198.002 Base-Backbone interact. energy: -0.005 local terms energy: -503.467093 where: bonds (distance) C4'-P energy: -151.647 bonds (distance) P-C4' energy: -134.491 flat angles C4'-P-C4' energy: -139.280 flat angles P-C4'-P energy: -79.235 tors. eta vs tors. theta energy: 1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -670.398343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.398343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.398343 (E_RNA) where: Base-Base interactions energy: -286.188 where: short stacking energy: -233.854 Base-Backbone interact. energy: 7.668 local terms energy: -391.877487 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -136.809 flat angles C4'-P-C4' energy: -110.817 flat angles P-C4'-P energy: -55.322 tors. eta vs tors. theta energy: 32.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -672.531532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.531532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.531532 (E_RNA) where: Base-Base interactions energy: -251.927 where: short stacking energy: -190.502 Base-Backbone interact. energy: -1.813 local terms energy: -418.791051 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -140.009 flat angles C4'-P-C4' energy: -110.991 flat angles P-C4'-P energy: -76.697 tors. eta vs tors. theta energy: 15.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2106.653737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.653737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.653737 (E_RNA) where: Base-Base interactions energy: -1283.567 where: short stacking energy: -678.312 Base-Backbone interact. energy: -1.288 local terms energy: -821.798228 where: bonds (distance) C4'-P energy: -161.178 bonds (distance) P-C4' energy: -180.768 flat angles C4'-P-C4' energy: -191.726 flat angles P-C4'-P energy: -109.511 tors. eta vs tors. theta energy: -178.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1903.486646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.486646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.486646 (E_RNA) where: Base-Base interactions energy: -1151.935 where: short stacking energy: -581.310 Base-Backbone interact. energy: -1.400 local terms energy: -750.151454 where: bonds (distance) C4'-P energy: -168.113 bonds (distance) P-C4' energy: -152.519 flat angles C4'-P-C4' energy: -177.456 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -162.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1892.391336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.391336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.391336 (E_RNA) where: Base-Base interactions energy: -1139.032 where: short stacking energy: -558.952 Base-Backbone interact. energy: -7.011 local terms energy: -746.348352 where: bonds (distance) C4'-P energy: -159.240 bonds (distance) P-C4' energy: -165.739 flat angles C4'-P-C4' energy: -164.227 flat angles P-C4'-P energy: -112.405 tors. eta vs tors. theta energy: -144.737 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: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1608.774948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.774948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.774948 (E_RNA) where: Base-Base interactions energy: -904.035 where: short stacking energy: -520.937 Base-Backbone interact. energy: 10.133 local terms energy: -714.872974 where: bonds (distance) C4'-P energy: -164.699 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -158.476 flat angles P-C4'-P energy: -118.623 tors. eta vs tors. theta energy: -131.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1417.619244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.619244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.619244 (E_RNA) where: Base-Base interactions energy: -787.744 where: short stacking energy: -446.166 Base-Backbone interact. energy: 6.914 local terms energy: -636.789272 where: bonds (distance) C4'-P energy: -139.605 bonds (distance) P-C4' energy: -158.184 flat angles C4'-P-C4' energy: -144.420 flat angles P-C4'-P energy: -101.474 tors. eta vs tors. theta energy: -93.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1288.266905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.266905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.266905 (E_RNA) where: Base-Base interactions energy: -710.639 where: short stacking energy: -372.855 Base-Backbone interact. energy: -3.464 local terms energy: -574.163723 where: bonds (distance) C4'-P energy: -154.646 bonds (distance) P-C4' energy: -152.173 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -84.111 tors. eta vs tors. theta energy: -30.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1061.352456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.352456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.352456 (E_RNA) where: Base-Base interactions energy: -512.942 where: short stacking energy: -319.874 Base-Backbone interact. energy: -0.745 local terms energy: -547.665216 where: bonds (distance) C4'-P energy: -145.939 bonds (distance) P-C4' energy: -156.777 flat angles C4'-P-C4' energy: -126.058 flat angles P-C4'-P energy: -76.251 tors. eta vs tors. theta energy: -42.640 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: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -795.127138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.127138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.127138 (E_RNA) where: Base-Base interactions energy: -338.215 where: short stacking energy: -230.695 Base-Backbone interact. energy: 2.495 local terms energy: -459.407273 where: bonds (distance) C4'-P energy: -137.949 bonds (distance) P-C4' energy: -158.023 flat angles C4'-P-C4' energy: -110.941 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: 12.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -751.996332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.996332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.996332 (E_RNA) where: Base-Base interactions energy: -320.688 where: short stacking energy: -205.077 Base-Backbone interact. energy: 0.606 local terms energy: -431.914348 where: bonds (distance) C4'-P energy: -123.579 bonds (distance) P-C4' energy: -139.956 flat angles C4'-P-C4' energy: -99.445 flat angles P-C4'-P energy: -86.640 tors. eta vs tors. theta energy: 17.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -629.627209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.627209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.627209 (E_RNA) where: Base-Base interactions energy: -263.382 where: short stacking energy: -187.439 Base-Backbone interact. energy: 2.638 local terms energy: -368.882752 where: bonds (distance) C4'-P energy: -115.088 bonds (distance) P-C4' energy: -119.308 flat angles C4'-P-C4' energy: -100.045 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: 27.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2138.861614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.861614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.861614 (E_RNA) where: Base-Base interactions energy: -1329.277 where: short stacking energy: -696.660 Base-Backbone interact. energy: -1.071 local terms energy: -808.513323 where: bonds (distance) C4'-P energy: -147.034 bonds (distance) P-C4' energy: -178.600 flat angles C4'-P-C4' energy: -178.800 flat angles P-C4'-P energy: -116.693 tors. eta vs tors. theta energy: -187.386 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: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1952.898669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.898669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.898669 (E_RNA) where: Base-Base interactions energy: -1175.875 where: short stacking energy: -610.064 Base-Backbone interact. energy: -2.599 local terms energy: -774.424599 where: bonds (distance) C4'-P energy: -174.794 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -174.301 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -163.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1844.065085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.065085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.065085 (E_RNA) where: Base-Base interactions energy: -1130.666 where: short stacking energy: -549.356 Base-Backbone interact. energy: 1.843 local terms energy: -715.241476 where: bonds (distance) C4'-P energy: -146.133 bonds (distance) P-C4' energy: -178.455 flat angles C4'-P-C4' energy: -167.594 flat angles P-C4'-P energy: -105.218 tors. eta vs tors. theta energy: -117.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1546.422618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.422618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.422618 (E_RNA) where: Base-Base interactions energy: -847.213 where: short stacking energy: -498.227 Base-Backbone interact. energy: -2.633 local terms energy: -696.576569 where: bonds (distance) C4'-P energy: -142.720 bonds (distance) P-C4' energy: -168.488 flat angles C4'-P-C4' energy: -166.575 flat angles P-C4'-P energy: -100.697 tors. eta vs tors. theta energy: -118.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1443.258586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.258586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.258586 (E_RNA) where: Base-Base interactions energy: -806.356 where: short stacking energy: -444.346 Base-Backbone interact. energy: -2.689 local terms energy: -634.213485 where: bonds (distance) C4'-P energy: -156.707 bonds (distance) P-C4' energy: -151.934 flat angles C4'-P-C4' energy: -145.037 flat angles P-C4'-P energy: -88.462 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: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1411.776825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.776825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.776825 (E_RNA) where: Base-Base interactions energy: -804.624 where: short stacking energy: -386.403 Base-Backbone interact. energy: -3.947 local terms energy: -603.205883 where: bonds (distance) C4'-P energy: -151.989 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -157.213 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -65.163 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1079.711339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.711339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.711339 (E_RNA) where: Base-Base interactions energy: -509.238 where: short stacking energy: -339.979 Base-Backbone interact. energy: 1.960 local terms energy: -572.433127 where: bonds (distance) C4'-P energy: -155.952 bonds (distance) P-C4' energy: -163.876 flat angles C4'-P-C4' energy: -120.840 flat angles P-C4'-P energy: -90.658 tors. eta vs tors. theta energy: -41.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -836.194296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.194296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.194296 (E_RNA) where: Base-Base interactions energy: -364.702 where: short stacking energy: -267.040 Base-Backbone interact. energy: 0.686 local terms energy: -472.178067 where: bonds (distance) C4'-P energy: -132.977 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -128.709 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -13.568 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -741.031832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.031832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.031832 (E_RNA) where: Base-Base interactions energy: -289.410 where: short stacking energy: -171.219 Base-Backbone interact. energy: 8.311 local terms energy: -459.932157 where: bonds (distance) C4'-P energy: -161.596 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -102.666 flat angles P-C4'-P energy: -84.479 tors. eta vs tors. theta energy: 25.735 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: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -649.488501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.488501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.488501 (E_RNA) where: Base-Base interactions energy: -232.735 where: short stacking energy: -203.598 Base-Backbone interact. energy: 6.647 local terms energy: -423.400731 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -133.303 flat angles C4'-P-C4' energy: -99.193 flat angles P-C4'-P energy: -68.575 tors. eta vs tors. theta energy: 8.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2173.844357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.844357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.844357 (E_RNA) where: Base-Base interactions energy: -1332.976 where: short stacking energy: -701.387 Base-Backbone interact. energy: -2.513 local terms energy: -838.355717 where: bonds (distance) C4'-P energy: -162.342 bonds (distance) P-C4' energy: -172.514 flat angles C4'-P-C4' energy: -179.167 flat angles P-C4'-P energy: -126.162 tors. eta vs tors. theta energy: -198.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1971.526297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.526297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.526297 (E_RNA) where: Base-Base interactions energy: -1210.554 where: short stacking energy: -646.019 Base-Backbone interact. energy: 0.591 local terms energy: -761.563486 where: bonds (distance) C4'-P energy: -142.753 bonds (distance) P-C4' energy: -149.903 flat angles C4'-P-C4' energy: -187.053 flat angles P-C4'-P energy: -111.470 tors. eta vs tors. theta energy: -170.385 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: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1917.145648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.145648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.145648 (E_RNA) where: Base-Base interactions energy: -1204.473 where: short stacking energy: -601.656 Base-Backbone interact. energy: -0.861 local terms energy: -711.811777 where: bonds (distance) C4'-P energy: -145.040 bonds (distance) P-C4' energy: -159.059 flat angles C4'-P-C4' energy: -159.366 flat angles P-C4'-P energy: -105.237 tors. eta vs tors. theta energy: -143.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1620.213768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.213768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.213768 (E_RNA) where: Base-Base interactions energy: -945.944 where: short stacking energy: -544.884 Base-Backbone interact. energy: -4.450 local terms energy: -669.819574 where: bonds (distance) C4'-P energy: -134.464 bonds (distance) P-C4' energy: -165.344 flat angles C4'-P-C4' energy: -148.395 flat angles P-C4'-P energy: -92.371 tors. eta vs tors. theta energy: -129.246 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: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1760.691175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.691175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.691175 (E_RNA) where: Base-Base interactions energy: -1127.420 where: short stacking energy: -493.102 Base-Backbone interact. energy: -1.197 local terms energy: -632.073699 where: bonds (distance) C4'-P energy: -148.720 bonds (distance) P-C4' energy: -127.364 flat angles C4'-P-C4' energy: -163.665 flat angles P-C4'-P energy: -94.040 tors. eta vs tors. theta energy: -98.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1266.392930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.392930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.392930 (E_RNA) where: Base-Base interactions energy: -675.935 where: short stacking energy: -379.862 Base-Backbone interact. energy: 4.912 local terms energy: -595.370397 where: bonds (distance) C4'-P energy: -151.006 bonds (distance) P-C4' energy: -147.998 flat angles C4'-P-C4' energy: -157.637 flat angles P-C4'-P energy: -84.163 tors. eta vs tors. theta energy: -54.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1097.677310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.677310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.677310 (E_RNA) where: Base-Base interactions energy: -550.516 where: short stacking energy: -339.342 Base-Backbone interact. energy: 5.889 local terms energy: -553.049824 where: bonds (distance) C4'-P energy: -145.377 bonds (distance) P-C4' energy: -140.374 flat angles C4'-P-C4' energy: -140.233 flat angles P-C4'-P energy: -87.805 tors. eta vs tors. theta energy: -39.261 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: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -789.789626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.789626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.789626 (E_RNA) where: Base-Base interactions energy: -313.559 where: short stacking energy: -201.234 Base-Backbone interact. energy: 7.727 local terms energy: -483.957642 where: bonds (distance) C4'-P energy: -123.558 bonds (distance) P-C4' energy: -147.783 flat angles C4'-P-C4' energy: -130.859 flat angles P-C4'-P energy: -82.293 tors. eta vs tors. theta energy: 0.536 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: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -792.345682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.345682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.345682 (E_RNA) where: Base-Base interactions energy: -351.043 where: short stacking energy: -236.387 Base-Backbone interact. energy: 3.743 local terms energy: -445.046423 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -144.261 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -71.479 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: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -631.957616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.957616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.957616 (E_RNA) where: Base-Base interactions energy: -259.689 where: short stacking energy: -164.151 Base-Backbone interact. energy: 6.858 local terms energy: -379.126729 where: bonds (distance) C4'-P energy: -125.514 bonds (distance) P-C4' energy: -141.870 flat angles C4'-P-C4' energy: -86.229 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: 26.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2174.651525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.651525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.651525 (E_RNA) where: Base-Base interactions energy: -1352.644 where: short stacking energy: -733.876 Base-Backbone interact. energy: 1.065 local terms energy: -823.072399 where: bonds (distance) C4'-P energy: -168.856 bonds (distance) P-C4' energy: -176.393 flat angles C4'-P-C4' energy: -167.593 flat angles P-C4'-P energy: -108.759 tors. eta vs tors. theta energy: -201.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1946.990818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.990818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.990818 (E_RNA) where: Base-Base interactions energy: -1193.875 where: short stacking energy: -585.875 Base-Backbone interact. energy: -3.883 local terms energy: -749.233589 where: bonds (distance) C4'-P energy: -156.286 bonds (distance) P-C4' energy: -152.075 flat angles C4'-P-C4' energy: -176.940 flat angles P-C4'-P energy: -112.411 tors. eta vs tors. theta energy: -151.523 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: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1958.847527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.847527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.847527 (E_RNA) where: Base-Base interactions energy: -1218.112 where: short stacking energy: -582.927 Base-Backbone interact. energy: 3.197 local terms energy: -743.932993 where: bonds (distance) C4'-P energy: -163.810 bonds (distance) P-C4' energy: -149.997 flat angles C4'-P-C4' energy: -167.437 flat angles P-C4'-P energy: -110.932 tors. eta vs tors. theta energy: -151.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1968.479765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.479765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.479765 (E_RNA) where: Base-Base interactions energy: -1263.673 where: short stacking energy: -544.180 Base-Backbone interact. energy: -2.249 local terms energy: -702.558016 where: bonds (distance) C4'-P energy: -159.431 bonds (distance) P-C4' energy: -156.988 flat angles C4'-P-C4' energy: -166.966 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -118.653 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: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1496.147636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.147636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.147636 (E_RNA) where: Base-Base interactions energy: -839.738 where: short stacking energy: -473.671 Base-Backbone interact. energy: -1.149 local terms energy: -655.260840 where: bonds (distance) C4'-P energy: -139.681 bonds (distance) P-C4' energy: -165.372 flat angles C4'-P-C4' energy: -156.993 flat angles P-C4'-P energy: -86.989 tors. eta vs tors. theta energy: -106.227 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: 23 Temperature: 1.150000 Total energy: -1303.278632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.278632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.278632 (E_RNA) where: Base-Base interactions energy: -698.501 where: short stacking energy: -393.748 Base-Backbone interact. energy: 2.366 local terms energy: -607.143753 where: bonds (distance) C4'-P energy: -142.238 bonds (distance) P-C4' energy: -157.051 flat angles C4'-P-C4' energy: -151.437 flat angles P-C4'-P energy: -86.877 tors. eta vs tors. theta energy: -69.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1140.476569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.476569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.476569 (E_RNA) where: Base-Base interactions energy: -580.197 where: short stacking energy: -305.606 Base-Backbone interact. energy: -3.081 local terms energy: -557.198706 where: bonds (distance) C4'-P energy: -135.838 bonds (distance) P-C4' energy: -164.404 flat angles C4'-P-C4' energy: -146.846 flat angles P-C4'-P energy: -74.875 tors. eta vs tors. theta energy: -35.237 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: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -829.377490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.377490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.377490 (E_RNA) where: Base-Base interactions energy: -364.785 where: short stacking energy: -263.076 Base-Backbone interact. energy: 0.473 local terms energy: -465.066099 where: bonds (distance) C4'-P energy: -132.447 bonds (distance) P-C4' energy: -128.222 flat angles C4'-P-C4' energy: -115.366 flat angles P-C4'-P energy: -89.029 tors. eta vs tors. theta energy: -0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -735.223053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.223053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.223053 (E_RNA) where: Base-Base interactions energy: -358.510 where: short stacking energy: -202.090 Base-Backbone interact. energy: 3.396 local terms energy: -380.108960 where: bonds (distance) C4'-P energy: -131.633 bonds (distance) P-C4' energy: -138.850 flat angles C4'-P-C4' energy: -93.321 flat angles P-C4'-P energy: -47.301 tors. eta vs tors. theta energy: 30.997 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: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -636.016476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.016476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.016476 (E_RNA) where: Base-Base interactions energy: -201.615 where: short stacking energy: -149.537 Base-Backbone interact. energy: -2.093 local terms energy: -432.308438 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -138.514 flat angles C4'-P-C4' energy: -117.620 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: 17.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2105.217310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.217310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.217310 (E_RNA) where: Base-Base interactions energy: -1313.439 where: short stacking energy: -697.775 Base-Backbone interact. energy: -0.524 local terms energy: -791.254668 where: bonds (distance) C4'-P energy: -175.396 bonds (distance) P-C4' energy: -148.171 flat angles C4'-P-C4' energy: -164.546 flat angles P-C4'-P energy: -116.748 tors. eta vs tors. theta energy: -186.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1961.149454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.149454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.149454 (E_RNA) where: Base-Base interactions energy: -1220.512 where: short stacking energy: -565.739 Base-Backbone interact. energy: -4.050 local terms energy: -736.588090 where: bonds (distance) C4'-P energy: -158.315 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -176.087 flat angles P-C4'-P energy: -109.091 tors. eta vs tors. theta energy: -148.869 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: 3, replica: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2085.149989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.149989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.149989 (E_RNA) where: Base-Base interactions energy: -1370.838 where: short stacking energy: -607.844 Base-Backbone interact. energy: -1.791 local terms energy: -712.521361 where: bonds (distance) C4'-P energy: -151.865 bonds (distance) P-C4' energy: -151.236 flat angles C4'-P-C4' energy: -170.298 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -139.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1836.861094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.861094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.861094 (E_RNA) where: Base-Base interactions energy: -1109.118 where: short stacking energy: -540.994 Base-Backbone interact. energy: 0.798 local terms energy: -728.541276 where: bonds (distance) C4'-P energy: -153.333 bonds (distance) P-C4' energy: -161.633 flat angles C4'-P-C4' energy: -171.889 flat angles P-C4'-P energy: -112.579 tors. eta vs tors. theta energy: -129.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1516.683393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.683393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.683393 (E_RNA) where: Base-Base interactions energy: -879.023 where: short stacking energy: -476.234 Base-Backbone interact. energy: -2.858 local terms energy: -634.802117 where: bonds (distance) C4'-P energy: -130.669 bonds (distance) P-C4' energy: -155.139 flat angles C4'-P-C4' energy: -138.708 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -111.632 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: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1282.496412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.496412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.496412 (E_RNA) where: Base-Base interactions energy: -706.615 where: short stacking energy: -402.228 Base-Backbone interact. energy: 1.210 local terms energy: -577.091513 where: bonds (distance) C4'-P energy: -133.469 bonds (distance) P-C4' energy: -142.730 flat angles C4'-P-C4' energy: -137.331 flat angles P-C4'-P energy: -82.076 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: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1327.618243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.618243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.618243 (E_RNA) where: Base-Base interactions energy: -769.492 where: short stacking energy: -408.444 Base-Backbone interact. energy: 14.546 local terms energy: -572.672556 where: bonds (distance) C4'-P energy: -155.913 bonds (distance) P-C4' energy: -152.090 flat angles C4'-P-C4' energy: -119.176 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -76.507 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: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -844.718676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.718676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.718676 (E_RNA) where: Base-Base interactions energy: -399.675 where: short stacking energy: -237.600 Base-Backbone interact. energy: 1.673 local terms energy: -446.717116 where: bonds (distance) C4'-P energy: -123.847 bonds (distance) P-C4' energy: -148.015 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -55.747 tors. eta vs tors. theta energy: 13.588 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: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -785.641501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.641501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.641501 (E_RNA) where: Base-Base interactions energy: -326.107 where: short stacking energy: -217.338 Base-Backbone interact. energy: 0.773 local terms energy: -460.307923 where: bonds (distance) C4'-P energy: -149.209 bonds (distance) P-C4' energy: -121.736 flat angles C4'-P-C4' energy: -129.159 flat angles P-C4'-P energy: -72.611 tors. eta vs tors. theta energy: 12.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -724.709392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.709392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.709392 (E_RNA) where: Base-Base interactions energy: -338.714 where: short stacking energy: -207.627 Base-Backbone interact. energy: 0.445 local terms energy: -386.440078 where: bonds (distance) C4'-P energy: -102.324 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -118.453 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: 27.053 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: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2149.578906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.578906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.578906 (E_RNA) where: Base-Base interactions energy: -1322.518 where: short stacking energy: -676.473 Base-Backbone interact. energy: -3.844 local terms energy: -823.217576 where: bonds (distance) C4'-P energy: -181.665 bonds (distance) P-C4' energy: -157.739 flat angles C4'-P-C4' energy: -185.279 flat angles P-C4'-P energy: -117.921 tors. eta vs tors. theta energy: -180.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2222.147320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.147320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.147320 (E_RNA) where: Base-Base interactions energy: -1462.508 where: short stacking energy: -679.898 Base-Backbone interact. energy: 1.912 local terms energy: -761.551867 where: bonds (distance) C4'-P energy: -152.674 bonds (distance) P-C4' energy: -153.788 flat angles C4'-P-C4' energy: -178.257 flat angles P-C4'-P energy: -102.816 tors. eta vs tors. theta energy: -174.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1923.264396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.264396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.264396 (E_RNA) where: Base-Base interactions energy: -1163.616 where: short stacking energy: -581.260 Base-Backbone interact. energy: -0.344 local terms energy: -759.304663 where: bonds (distance) C4'-P energy: -171.100 bonds (distance) P-C4' energy: -161.831 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -103.514 tors. eta vs tors. theta energy: -150.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1761.721698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.721698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.721698 (E_RNA) where: Base-Base interactions energy: -1086.055 where: short stacking energy: -490.359 Base-Backbone interact. energy: -1.341 local terms energy: -674.325631 where: bonds (distance) C4'-P energy: -139.604 bonds (distance) P-C4' energy: -159.826 flat angles C4'-P-C4' energy: -150.706 flat angles P-C4'-P energy: -99.982 tors. eta vs tors. theta energy: -124.208 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: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1561.872783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.872783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.872783 (E_RNA) where: Base-Base interactions energy: -887.000 where: short stacking energy: -468.505 Base-Backbone interact. energy: -4.188 local terms energy: -670.685723 where: bonds (distance) C4'-P energy: -153.435 bonds (distance) P-C4' energy: -158.099 flat angles C4'-P-C4' energy: -175.777 flat angles P-C4'-P energy: -87.815 tors. eta vs tors. theta energy: -95.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1295.132588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.132588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.132588 (E_RNA) where: Base-Base interactions energy: -696.945 where: short stacking energy: -370.782 Base-Backbone interact. energy: 1.841 local terms energy: -600.028562 where: bonds (distance) C4'-P energy: -130.486 bonds (distance) P-C4' energy: -164.998 flat angles C4'-P-C4' energy: -133.125 flat angles P-C4'-P energy: -88.042 tors. eta vs tors. theta energy: -83.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1341.564882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.564882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.564882 (E_RNA) where: Base-Base interactions energy: -782.519 where: short stacking energy: -404.430 Base-Backbone interact. energy: -1.077 local terms energy: -557.968841 where: bonds (distance) C4'-P energy: -132.931 bonds (distance) P-C4' energy: -151.565 flat angles C4'-P-C4' energy: -126.974 flat angles P-C4'-P energy: -66.510 tors. eta vs tors. theta energy: -79.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -915.836304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.836304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.836304 (E_RNA) where: Base-Base interactions energy: -447.130 where: short stacking energy: -280.119 Base-Backbone interact. energy: -2.761 local terms energy: -465.945690 where: bonds (distance) C4'-P energy: -126.894 bonds (distance) P-C4' energy: -133.569 flat angles C4'-P-C4' energy: -129.812 flat angles P-C4'-P energy: -69.441 tors. eta vs tors. theta energy: -6.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -837.843943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.843943 (E_RNA) where: Base-Base interactions energy: -381.345 where: short stacking energy: -228.800 Base-Backbone interact. energy: -1.561 local terms energy: -454.938035 where: bonds (distance) C4'-P energy: -138.657 bonds (distance) P-C4' energy: -141.184 flat angles C4'-P-C4' energy: -127.672 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: 4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -669.727361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.727361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.727361 (E_RNA) where: Base-Base interactions energy: -291.167 where: short stacking energy: -174.490 Base-Backbone interact. energy: -1.231 local terms energy: -377.330184 where: bonds (distance) C4'-P energy: -98.339 bonds (distance) P-C4' energy: -133.751 flat angles C4'-P-C4' energy: -98.951 flat angles P-C4'-P energy: -71.653 tors. eta vs tors. theta energy: 25.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2319.984593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.984593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.984593 (E_RNA) where: Base-Base interactions energy: -1502.360 where: short stacking energy: -657.749 Base-Backbone interact. energy: -3.229 local terms energy: -814.395642 where: bonds (distance) C4'-P energy: -170.381 bonds (distance) P-C4' energy: -163.014 flat angles C4'-P-C4' energy: -180.396 flat angles P-C4'-P energy: -123.200 tors. eta vs tors. theta energy: -177.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2041.804808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.804808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.804808 (E_RNA) where: Base-Base interactions energy: -1261.664 where: short stacking energy: -669.800 Base-Backbone interact. energy: -2.429 local terms energy: -777.712065 where: bonds (distance) C4'-P energy: -159.481 bonds (distance) P-C4' energy: -163.998 flat angles C4'-P-C4' energy: -162.790 flat angles P-C4'-P energy: -117.016 tors. eta vs tors. theta energy: -174.427 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: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1913.863340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.863340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.863340 (E_RNA) where: Base-Base interactions energy: -1189.118 where: short stacking energy: -573.036 Base-Backbone interact. energy: -2.397 local terms energy: -722.348127 where: bonds (distance) C4'-P energy: -160.788 bonds (distance) P-C4' energy: -161.142 flat angles C4'-P-C4' energy: -160.780 flat angles P-C4'-P energy: -89.713 tors. eta vs tors. theta energy: -149.925 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: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1795.730808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.730808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.730808 (E_RNA) where: Base-Base interactions energy: -1080.802 where: short stacking energy: -532.491 Base-Backbone interact. energy: -1.340 local terms energy: -713.589089 where: bonds (distance) C4'-P energy: -167.050 bonds (distance) P-C4' energy: -158.512 flat angles C4'-P-C4' energy: -167.512 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -122.795 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: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1591.022283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.022283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.022283 (E_RNA) where: Base-Base interactions energy: -962.787 where: short stacking energy: -492.653 Base-Backbone interact. energy: 0.025 local terms energy: -628.261074 where: bonds (distance) C4'-P energy: -137.077 bonds (distance) P-C4' energy: -138.080 flat angles C4'-P-C4' energy: -149.545 flat angles P-C4'-P energy: -97.173 tors. eta vs tors. theta energy: -106.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1377.680212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.680212 (E_RNA) where: Base-Base interactions energy: -791.131 where: short stacking energy: -416.547 Base-Backbone interact. energy: 0.677 local terms energy: -587.226345 where: bonds (distance) C4'-P energy: -133.757 bonds (distance) P-C4' energy: -153.015 flat angles C4'-P-C4' energy: -158.322 flat angles P-C4'-P energy: -76.983 tors. eta vs tors. theta energy: -65.149 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: 7, replica: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1397.772104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.772104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.772104 (E_RNA) where: Base-Base interactions energy: -819.216 where: short stacking energy: -391.172 Base-Backbone interact. energy: -3.224 local terms energy: -575.331905 where: bonds (distance) C4'-P energy: -132.637 bonds (distance) P-C4' energy: -126.826 flat angles C4'-P-C4' energy: -146.234 flat angles P-C4'-P energy: -95.209 tors. eta vs tors. theta energy: -74.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -948.662640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.662640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.662640 (E_RNA) where: Base-Base interactions energy: -476.219 where: short stacking energy: -229.547 Base-Backbone interact. energy: 2.157 local terms energy: -474.599876 where: bonds (distance) C4'-P energy: -119.890 bonds (distance) P-C4' energy: -140.885 flat angles C4'-P-C4' energy: -141.083 flat angles P-C4'-P energy: -62.224 tors. eta vs tors. theta energy: -10.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -780.244717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.244717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.244717 (E_RNA) where: Base-Base interactions energy: -331.561 where: short stacking energy: -194.354 Base-Backbone interact. energy: 6.637 local terms energy: -455.321292 where: bonds (distance) C4'-P energy: -122.640 bonds (distance) P-C4' energy: -161.366 flat angles C4'-P-C4' energy: -123.514 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: 7.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -734.484436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.484436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.484436 (E_RNA) where: Base-Base interactions energy: -340.749 where: short stacking energy: -225.210 Base-Backbone interact. energy: 5.198 local terms energy: -398.933228 where: bonds (distance) C4'-P energy: -124.383 bonds (distance) P-C4' energy: -114.352 flat angles C4'-P-C4' energy: -101.021 flat angles P-C4'-P energy: -58.209 tors. eta vs tors. theta energy: -0.968 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: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2385.065490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.065490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.065490 (E_RNA) where: Base-Base interactions energy: -1558.619 where: short stacking energy: -701.695 Base-Backbone interact. energy: -5.581 local terms energy: -820.865861 where: bonds (distance) C4'-P energy: -174.007 bonds (distance) P-C4' energy: -163.934 flat angles C4'-P-C4' energy: -172.426 flat angles P-C4'-P energy: -125.164 tors. eta vs tors. theta energy: -185.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2112.415977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.415977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.415977 (E_RNA) where: Base-Base interactions energy: -1326.619 where: short stacking energy: -676.570 Base-Backbone interact. energy: -2.242 local terms energy: -783.554854 where: bonds (distance) C4'-P energy: -151.629 bonds (distance) P-C4' energy: -160.087 flat angles C4'-P-C4' energy: -165.986 flat angles P-C4'-P energy: -127.595 tors. eta vs tors. theta energy: -178.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1960.745237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.745237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.745237 (E_RNA) where: Base-Base interactions energy: -1215.972 where: short stacking energy: -555.229 Base-Backbone interact. energy: -3.311 local terms energy: -741.461878 where: bonds (distance) C4'-P energy: -160.912 bonds (distance) P-C4' energy: -166.829 flat angles C4'-P-C4' energy: -156.654 flat angles P-C4'-P energy: -117.256 tors. eta vs tors. theta energy: -139.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1794.692597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.692597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.692597 (E_RNA) where: Base-Base interactions energy: -1165.217 where: short stacking energy: -543.413 Base-Backbone interact. energy: 1.371 local terms energy: -630.846856 where: bonds (distance) C4'-P energy: -127.777 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -162.509 flat angles P-C4'-P energy: -87.400 tors. eta vs tors. theta energy: -106.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1547.821006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.821006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.821006 (E_RNA) where: Base-Base interactions energy: -921.859 where: short stacking energy: -493.099 Base-Backbone interact. energy: -1.011 local terms energy: -624.951173 where: bonds (distance) C4'-P energy: -123.755 bonds (distance) P-C4' energy: -155.662 flat angles C4'-P-C4' energy: -156.094 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -99.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1409.137034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.137034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.137034 (E_RNA) where: Base-Base interactions energy: -809.454 where: short stacking energy: -400.860 Base-Backbone interact. energy: -4.012 local terms energy: -595.670881 where: bonds (distance) C4'-P energy: -131.731 bonds (distance) P-C4' energy: -153.234 flat angles C4'-P-C4' energy: -146.473 flat angles P-C4'-P energy: -85.764 tors. eta vs tors. theta energy: -78.468 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: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1438.818661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.818661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.818661 (E_RNA) where: Base-Base interactions energy: -856.591 where: short stacking energy: -408.906 Base-Backbone interact. energy: 1.209 local terms energy: -583.436903 where: bonds (distance) C4'-P energy: -130.250 bonds (distance) P-C4' energy: -148.186 flat angles C4'-P-C4' energy: -142.489 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -87.655 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: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -904.308581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.308581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.308581 (E_RNA) where: Base-Base interactions energy: -424.822 where: short stacking energy: -241.878 Base-Backbone interact. energy: -0.216 local terms energy: -479.270746 where: bonds (distance) C4'-P energy: -141.929 bonds (distance) P-C4' energy: -154.426 flat angles C4'-P-C4' energy: -121.412 flat angles P-C4'-P energy: -74.397 tors. eta vs tors. theta energy: 12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -794.711167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.711167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.711167 (E_RNA) where: Base-Base interactions energy: -338.636 where: short stacking energy: -243.618 Base-Backbone interact. energy: -2.824 local terms energy: -453.251293 where: bonds (distance) C4'-P energy: -148.243 bonds (distance) P-C4' energy: -144.592 flat angles C4'-P-C4' energy: -96.026 flat angles P-C4'-P energy: -67.883 tors. eta vs tors. theta energy: 3.493 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: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -704.415910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.415910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.415910 (E_RNA) where: Base-Base interactions energy: -287.937 where: short stacking energy: -168.238 Base-Backbone interact. energy: -2.364 local terms energy: -414.115454 where: bonds (distance) C4'-P energy: -140.934 bonds (distance) P-C4' energy: -136.193 flat angles C4'-P-C4' energy: -110.239 flat angles P-C4'-P energy: -59.450 tors. eta vs tors. theta energy: 32.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2442.091863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.091863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.091863 (E_RNA) where: Base-Base interactions energy: -1605.655 where: short stacking energy: -704.258 Base-Backbone interact. energy: 0.029 local terms energy: -836.466233 where: bonds (distance) C4'-P energy: -168.439 bonds (distance) P-C4' energy: -163.037 flat angles C4'-P-C4' energy: -191.022 flat angles P-C4'-P energy: -128.951 tors. eta vs tors. theta energy: -185.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2086.980045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.980045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.980045 (E_RNA) where: Base-Base interactions energy: -1296.131 where: short stacking energy: -659.646 Base-Backbone interact. energy: -0.884 local terms energy: -789.965260 where: bonds (distance) C4'-P energy: -173.075 bonds (distance) P-C4' energy: -170.250 flat angles C4'-P-C4' energy: -173.601 flat angles P-C4'-P energy: -110.187 tors. eta vs tors. theta energy: -162.853 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: 28 Temperature: 1.000000 Total energy: -1942.219112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.219112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.219112 (E_RNA) where: Base-Base interactions energy: -1185.588 where: short stacking energy: -562.644 Base-Backbone interact. energy: 3.202 local terms energy: -759.833677 where: bonds (distance) C4'-P energy: -163.057 bonds (distance) P-C4' energy: -154.671 flat angles C4'-P-C4' energy: -181.626 flat angles P-C4'-P energy: -114.130 tors. eta vs tors. theta energy: -146.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1786.205709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.205709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.205709 (E_RNA) where: Base-Base interactions energy: -1100.263 where: short stacking energy: -531.064 Base-Backbone interact. energy: -0.653 local terms energy: -685.290380 where: bonds (distance) C4'-P energy: -145.492 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -176.386 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -114.957 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: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1571.287176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.287176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.287176 (E_RNA) where: Base-Base interactions energy: -937.478 where: short stacking energy: -442.270 Base-Backbone interact. energy: -2.060 local terms energy: -631.749144 where: bonds (distance) C4'-P energy: -125.818 bonds (distance) P-C4' energy: -151.859 flat angles C4'-P-C4' energy: -150.282 flat angles P-C4'-P energy: -106.706 tors. eta vs tors. theta energy: -97.084 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: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1483.288997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.288997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.288997 (E_RNA) where: Base-Base interactions energy: -892.802 where: short stacking energy: -419.558 Base-Backbone interact. energy: -3.333 local terms energy: -587.153973 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -142.896 flat angles C4'-P-C4' energy: -122.805 flat angles P-C4'-P energy: -93.641 tors. eta vs tors. theta energy: -79.899 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: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1413.617509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.617509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.617509 (E_RNA) where: Base-Base interactions energy: -831.067 where: short stacking energy: -398.717 Base-Backbone interact. energy: 2.023 local terms energy: -584.573294 where: bonds (distance) C4'-P energy: -127.710 bonds (distance) P-C4' energy: -164.433 flat angles C4'-P-C4' energy: -128.402 flat angles P-C4'-P energy: -87.327 tors. eta vs tors. theta energy: -76.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -931.849323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.849323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.849323 (E_RNA) where: Base-Base interactions energy: -418.885 where: short stacking energy: -230.677 Base-Backbone interact. energy: -1.040 local terms energy: -511.924850 where: bonds (distance) C4'-P energy: -140.318 bonds (distance) P-C4' energy: -141.433 flat angles C4'-P-C4' energy: -122.642 flat angles P-C4'-P energy: -90.201 tors. eta vs tors. theta energy: -17.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -820.806285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.806285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.806285 (E_RNA) where: Base-Base interactions energy: -388.898 where: short stacking energy: -230.570 Base-Backbone interact. energy: -3.753 local terms energy: -428.155562 where: bonds (distance) C4'-P energy: -116.989 bonds (distance) P-C4' energy: -134.623 flat angles C4'-P-C4' energy: -133.885 flat angles P-C4'-P energy: -44.302 tors. eta vs tors. theta energy: 1.643 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: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -684.420450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.420450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.420450 (E_RNA) where: Base-Base interactions energy: -279.715 where: short stacking energy: -182.205 Base-Backbone interact. energy: 2.620 local terms energy: -407.325386 where: bonds (distance) C4'-P energy: -127.438 bonds (distance) P-C4' energy: -139.850 flat angles C4'-P-C4' energy: -99.402 flat angles P-C4'-P energy: -63.636 tors. eta vs tors. theta energy: 23.001 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: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2471.137924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.137924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.137924 (E_RNA) where: Base-Base interactions energy: -1678.884 where: short stacking energy: -706.720 Base-Backbone interact. energy: -5.762 local terms energy: -786.491883 where: bonds (distance) C4'-P energy: -158.948 bonds (distance) P-C4' energy: -163.787 flat angles C4'-P-C4' energy: -179.322 flat angles P-C4'-P energy: -104.831 tors. eta vs tors. theta energy: -179.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2070.856992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.856992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.856992 (E_RNA) where: Base-Base interactions energy: -1286.149 where: short stacking energy: -640.998 Base-Backbone interact. energy: 5.599 local terms energy: -790.306378 where: bonds (distance) C4'-P energy: -146.586 bonds (distance) P-C4' energy: -166.755 flat angles C4'-P-C4' energy: -178.908 flat angles P-C4'-P energy: -120.840 tors. eta vs tors. theta energy: -177.217 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: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1898.844311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.844311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.844311 (E_RNA) where: Base-Base interactions energy: -1164.149 where: short stacking energy: -541.971 Base-Backbone interact. energy: -0.980 local terms energy: -733.715378 where: bonds (distance) C4'-P energy: -171.504 bonds (distance) P-C4' energy: -167.131 flat angles C4'-P-C4' energy: -165.887 flat angles P-C4'-P energy: -88.908 tors. eta vs tors. theta energy: -140.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1770.245241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.245241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.245241 (E_RNA) where: Base-Base interactions energy: -1112.044 where: short stacking energy: -540.264 Base-Backbone interact. energy: -3.023 local terms energy: -655.177665 where: bonds (distance) C4'-P energy: -135.321 bonds (distance) P-C4' energy: -143.348 flat angles C4'-P-C4' energy: -163.806 flat angles P-C4'-P energy: -93.166 tors. eta vs tors. theta energy: -119.537 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: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1713.799010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.799010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.799010 (E_RNA) where: Base-Base interactions energy: -1024.090 where: short stacking energy: -488.952 Base-Backbone interact. energy: -1.389 local terms energy: -688.320030 where: bonds (distance) C4'-P energy: -161.526 bonds (distance) P-C4' energy: -160.030 flat angles C4'-P-C4' energy: -155.065 flat angles P-C4'-P energy: -94.596 tors. eta vs tors. theta energy: -117.102 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: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1511.213873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.213873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.213873 (E_RNA) where: Base-Base interactions energy: -916.767 where: short stacking energy: -473.642 Base-Backbone interact. energy: -2.091 local terms energy: -592.355869 where: bonds (distance) C4'-P energy: -135.787 bonds (distance) P-C4' energy: -148.574 flat angles C4'-P-C4' energy: -134.189 flat angles P-C4'-P energy: -83.371 tors. eta vs tors. theta energy: -90.436 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: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1417.328356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.328356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.328356 (E_RNA) where: Base-Base interactions energy: -820.683 where: short stacking energy: -387.403 Base-Backbone interact. energy: 1.184 local terms energy: -597.829994 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -134.843 flat angles C4'-P-C4' energy: -147.591 flat angles P-C4'-P energy: -91.887 tors. eta vs tors. theta energy: -76.342 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: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -986.127467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.127467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.127467 (E_RNA) where: Base-Base interactions energy: -468.549 where: short stacking energy: -293.556 Base-Backbone interact. energy: 3.591 local terms energy: -521.169391 where: bonds (distance) C4'-P energy: -146.177 bonds (distance) P-C4' energy: -146.753 flat angles C4'-P-C4' energy: -113.191 flat angles P-C4'-P energy: -97.806 tors. eta vs tors. theta energy: -17.242 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: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -787.766262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.766262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.766262 (E_RNA) where: Base-Base interactions energy: -354.503 where: short stacking energy: -224.341 Base-Backbone interact. energy: 5.266 local terms energy: -438.529157 where: bonds (distance) C4'-P energy: -152.918 bonds (distance) P-C4' energy: -145.638 flat angles C4'-P-C4' energy: -102.304 flat angles P-C4'-P energy: -58.536 tors. eta vs tors. theta energy: 20.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -716.188001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.188001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.188001 (E_RNA) where: Base-Base interactions energy: -275.356 where: short stacking energy: -190.414 Base-Backbone interact. energy: -1.435 local terms energy: -439.396149 where: bonds (distance) C4'-P energy: -112.366 bonds (distance) P-C4' energy: -143.231 flat angles C4'-P-C4' energy: -122.711 flat angles P-C4'-P energy: -79.881 tors. eta vs tors. theta energy: 18.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2546.439962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.439962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.439962 (E_RNA) where: Base-Base interactions energy: -1740.214 where: short stacking energy: -739.511 Base-Backbone interact. energy: -4.547 local terms energy: -801.678481 where: bonds (distance) C4'-P energy: -154.556 bonds (distance) P-C4' energy: -165.331 flat angles C4'-P-C4' energy: -171.824 flat angles P-C4'-P energy: -116.531 tors. eta vs tors. theta energy: -193.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1995.832413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.832413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.832413 (E_RNA) where: Base-Base interactions energy: -1208.633 where: short stacking energy: -634.955 Base-Backbone interact. energy: -1.715 local terms energy: -785.484563 where: bonds (distance) C4'-P energy: -165.110 bonds (distance) P-C4' energy: -163.354 flat angles C4'-P-C4' energy: -175.715 flat angles P-C4'-P energy: -117.197 tors. eta vs tors. theta energy: -164.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1925.826471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.826471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.826471 (E_RNA) where: Base-Base interactions energy: -1223.515 where: short stacking energy: -601.491 Base-Backbone interact. energy: 2.428 local terms energy: -704.739983 where: bonds (distance) C4'-P energy: -147.376 bonds (distance) P-C4' energy: -158.312 flat angles C4'-P-C4' energy: -165.018 flat angles P-C4'-P energy: -96.482 tors. eta vs tors. theta energy: -137.553 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: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1788.861725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.861725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.861725 (E_RNA) where: Base-Base interactions energy: -1109.463 where: short stacking energy: -514.443 Base-Backbone interact. energy: -1.911 local terms energy: -677.487505 where: bonds (distance) C4'-P energy: -145.413 bonds (distance) P-C4' energy: -164.413 flat angles C4'-P-C4' energy: -168.474 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -106.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1781.596839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.596839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.596839 (E_RNA) where: Base-Base interactions energy: -1111.713 where: short stacking energy: -515.881 Base-Backbone interact. energy: 0.740 local terms energy: -670.623816 where: bonds (distance) C4'-P energy: -136.021 bonds (distance) P-C4' energy: -142.550 flat angles C4'-P-C4' energy: -163.707 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -128.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1600.146661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.146661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.146661 (E_RNA) where: Base-Base interactions energy: -982.184 where: short stacking energy: -459.126 Base-Backbone interact. energy: 5.253 local terms energy: -623.215674 where: bonds (distance) C4'-P energy: -139.666 bonds (distance) P-C4' energy: -160.850 flat angles C4'-P-C4' energy: -147.207 flat angles P-C4'-P energy: -66.814 tors. eta vs tors. theta energy: -108.679 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: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1413.038805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.038805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.038805 (E_RNA) where: Base-Base interactions energy: -856.701 where: short stacking energy: -397.179 Base-Backbone interact. energy: 1.232 local terms energy: -557.569886 where: bonds (distance) C4'-P energy: -123.859 bonds (distance) P-C4' energy: -156.623 flat angles C4'-P-C4' energy: -118.414 flat angles P-C4'-P energy: -79.050 tors. eta vs tors. theta energy: -79.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -980.512964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.512964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.512964 (E_RNA) where: Base-Base interactions energy: -551.863 where: short stacking energy: -309.935 Base-Backbone interact. energy: -2.217 local terms energy: -426.432676 where: bonds (distance) C4'-P energy: -108.020 bonds (distance) P-C4' energy: -135.353 flat angles C4'-P-C4' energy: -103.285 flat angles P-C4'-P energy: -81.977 tors. eta vs tors. theta energy: 2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -776.526338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.526338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.526338 (E_RNA) where: Base-Base interactions energy: -321.817 where: short stacking energy: -200.629 Base-Backbone interact. energy: 5.568 local terms energy: -460.277148 where: bonds (distance) C4'-P energy: -133.512 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -129.841 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: 11.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -707.153287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.153287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.153287 (E_RNA) where: Base-Base interactions energy: -313.879 where: short stacking energy: -214.743 Base-Backbone interact. energy: 3.761 local terms energy: -397.035466 where: bonds (distance) C4'-P energy: -121.505 bonds (distance) P-C4' energy: -135.779 flat angles C4'-P-C4' energy: -128.695 flat angles P-C4'-P energy: -43.700 tors. eta vs tors. theta energy: 32.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2551.960115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.960115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.960115 (E_RNA) where: Base-Base interactions energy: -1745.688 where: short stacking energy: -749.550 Base-Backbone interact. energy: -3.301 local terms energy: -802.971161 where: bonds (distance) C4'-P energy: -156.978 bonds (distance) P-C4' energy: -155.010 flat angles C4'-P-C4' energy: -177.960 flat angles P-C4'-P energy: -118.899 tors. eta vs tors. theta energy: -194.125 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: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2061.105459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.105459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.105459 (E_RNA) where: Base-Base interactions energy: -1273.832 where: short stacking energy: -684.817 Base-Backbone interact. energy: -2.333 local terms energy: -784.940029 where: bonds (distance) C4'-P energy: -154.267 bonds (distance) P-C4' energy: -154.421 flat angles C4'-P-C4' energy: -190.894 flat angles P-C4'-P energy: -102.642 tors. eta vs tors. theta energy: -182.716 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: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1902.546113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.546113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.546113 (E_RNA) where: Base-Base interactions energy: -1187.862 where: short stacking energy: -593.458 Base-Backbone interact. energy: -1.119 local terms energy: -713.565203 where: bonds (distance) C4'-P energy: -162.257 bonds (distance) P-C4' energy: -159.017 flat angles C4'-P-C4' energy: -157.796 flat angles P-C4'-P energy: -97.226 tors. eta vs tors. theta energy: -137.269 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: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1811.101359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.101359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.101359 (E_RNA) where: Base-Base interactions energy: -1130.564 where: short stacking energy: -539.309 Base-Backbone interact. energy: -1.328 local terms energy: -679.209621 where: bonds (distance) C4'-P energy: -158.480 bonds (distance) P-C4' energy: -153.253 flat angles C4'-P-C4' energy: -162.662 flat angles P-C4'-P energy: -90.792 tors. eta vs tors. theta energy: -114.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1771.407184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.407184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.407184 (E_RNA) where: Base-Base interactions energy: -1098.988 where: short stacking energy: -548.920 Base-Backbone interact. energy: 2.143 local terms energy: -674.561889 where: bonds (distance) C4'-P energy: -151.788 bonds (distance) P-C4' energy: -154.740 flat angles C4'-P-C4' energy: -157.766 flat angles P-C4'-P energy: -96.549 tors. eta vs tors. theta energy: -113.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1593.107284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.107284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.107284 (E_RNA) where: Base-Base interactions energy: -943.682 where: short stacking energy: -457.955 Base-Backbone interact. energy: 2.406 local terms energy: -651.831377 where: bonds (distance) C4'-P energy: -152.979 bonds (distance) P-C4' energy: -147.068 flat angles C4'-P-C4' energy: -158.460 flat angles P-C4'-P energy: -97.188 tors. eta vs tors. theta energy: -96.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1339.733953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.733953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.733953 (E_RNA) where: Base-Base interactions energy: -805.774 where: short stacking energy: -395.220 Base-Backbone interact. energy: 5.287 local terms energy: -539.247024 where: bonds (distance) C4'-P energy: -127.043 bonds (distance) P-C4' energy: -138.674 flat angles C4'-P-C4' energy: -140.550 flat angles P-C4'-P energy: -82.770 tors. eta vs tors. theta energy: -50.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1003.231064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.231064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.231064 (E_RNA) where: Base-Base interactions energy: -534.834 where: short stacking energy: -289.468 Base-Backbone interact. energy: 1.776 local terms energy: -470.173972 where: bonds (distance) C4'-P energy: -131.845 bonds (distance) P-C4' energy: -143.103 flat angles C4'-P-C4' energy: -103.267 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -16.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -915.890544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.890544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.890544 (E_RNA) where: Base-Base interactions energy: -445.563 where: short stacking energy: -274.119 Base-Backbone interact. energy: -1.066 local terms energy: -469.261273 where: bonds (distance) C4'-P energy: -132.787 bonds (distance) P-C4' energy: -135.572 flat angles C4'-P-C4' energy: -137.768 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: -9.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -709.575282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.575282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.575282 (E_RNA) where: Base-Base interactions energy: -272.808 where: short stacking energy: -188.433 Base-Backbone interact. energy: -0.326 local terms energy: -436.440702 where: bonds (distance) C4'-P energy: -138.222 bonds (distance) P-C4' energy: -147.787 flat angles C4'-P-C4' energy: -99.027 flat angles P-C4'-P energy: -77.962 tors. eta vs tors. theta energy: 26.558 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: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2578.676762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.676762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.676762 (E_RNA) where: Base-Base interactions energy: -1761.023 where: short stacking energy: -774.801 Base-Backbone interact. energy: -4.667 local terms energy: -812.987114 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -168.995 flat angles C4'-P-C4' energy: -186.837 flat angles P-C4'-P energy: -119.207 tors. eta vs tors. theta energy: -199.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2014.848614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.848614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.848614 (E_RNA) where: Base-Base interactions energy: -1245.461 where: short stacking energy: -661.450 Base-Backbone interact. energy: -0.024 local terms energy: -769.363704 where: bonds (distance) C4'-P energy: -159.241 bonds (distance) P-C4' energy: -154.967 flat angles C4'-P-C4' energy: -171.197 flat angles P-C4'-P energy: -113.370 tors. eta vs tors. theta energy: -170.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1926.872502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.872502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.872502 (E_RNA) where: Base-Base interactions energy: -1177.908 where: short stacking energy: -576.911 Base-Backbone interact. energy: -2.092 local terms energy: -746.872755 where: bonds (distance) C4'-P energy: -150.518 bonds (distance) P-C4' energy: -165.720 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -98.130 tors. eta vs tors. theta energy: -165.309 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: 32 Temperature: 1.050000 Total energy: -1858.891817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.891817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.891817 (E_RNA) where: Base-Base interactions energy: -1140.296 where: short stacking energy: -572.172 Base-Backbone interact. energy: -0.804 local terms energy: -717.791995 where: bonds (distance) C4'-P energy: -161.930 bonds (distance) P-C4' energy: -154.716 flat angles C4'-P-C4' energy: -157.003 flat angles P-C4'-P energy: -109.239 tors. eta vs tors. theta energy: -134.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1816.623724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.623724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.623724 (E_RNA) where: Base-Base interactions energy: -1130.037 where: short stacking energy: -556.456 Base-Backbone interact. energy: -1.109 local terms energy: -685.477624 where: bonds (distance) C4'-P energy: -141.062 bonds (distance) P-C4' energy: -151.693 flat angles C4'-P-C4' energy: -157.213 flat angles P-C4'-P energy: -106.981 tors. eta vs tors. theta energy: -128.529 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1609.299834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.299834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.299834 (E_RNA) where: Base-Base interactions energy: -991.470 where: short stacking energy: -483.853 Base-Backbone interact. energy: 3.064 local terms energy: -620.894013 where: bonds (distance) C4'-P energy: -136.127 bonds (distance) P-C4' energy: -147.448 flat angles C4'-P-C4' energy: -142.571 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -103.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1303.121106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.121106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.121106 (E_RNA) where: Base-Base interactions energy: -732.047 where: short stacking energy: -339.947 Base-Backbone interact. energy: -1.600 local terms energy: -569.473577 where: bonds (distance) C4'-P energy: -141.852 bonds (distance) P-C4' energy: -135.243 flat angles C4'-P-C4' energy: -146.247 flat angles P-C4'-P energy: -85.589 tors. eta vs tors. theta energy: -60.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -992.864921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.864921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.864921 (E_RNA) where: Base-Base interactions energy: -470.546 where: short stacking energy: -260.098 Base-Backbone interact. energy: -1.562 local terms energy: -520.757017 where: bonds (distance) C4'-P energy: -123.391 bonds (distance) P-C4' energy: -157.733 flat angles C4'-P-C4' energy: -136.827 flat angles P-C4'-P energy: -81.383 tors. eta vs tors. theta energy: -21.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -919.413183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.413183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.413183 (E_RNA) where: Base-Base interactions energy: -484.716 where: short stacking energy: -258.449 Base-Backbone interact. energy: -3.431 local terms energy: -431.265447 where: bonds (distance) C4'-P energy: -107.056 bonds (distance) P-C4' energy: -149.454 flat angles C4'-P-C4' energy: -118.897 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -734.358569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.358569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.358569 (E_RNA) where: Base-Base interactions energy: -301.674 where: short stacking energy: -189.225 Base-Backbone interact. energy: 3.872 local terms energy: -436.556481 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -149.891 flat angles C4'-P-C4' energy: -138.878 flat angles P-C4'-P energy: -49.363 tors. eta vs tors. theta energy: 32.065 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: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2617.613812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.613812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.613812 (E_RNA) where: Base-Base interactions energy: -1764.993 where: short stacking energy: -740.906 Base-Backbone interact. energy: -3.545 local terms energy: -849.076314 where: bonds (distance) C4'-P energy: -148.074 bonds (distance) P-C4' energy: -178.810 flat angles C4'-P-C4' energy: -195.329 flat angles P-C4'-P energy: -128.166 tors. eta vs tors. theta energy: -198.697 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: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2040.769277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.769277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.769277 (E_RNA) where: Base-Base interactions energy: -1248.691 where: short stacking energy: -636.515 Base-Backbone interact. energy: -4.826 local terms energy: -787.251714 where: bonds (distance) C4'-P energy: -161.198 bonds (distance) P-C4' energy: -162.470 flat angles C4'-P-C4' energy: -177.613 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -180.629 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: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1935.473990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.473990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.473990 (E_RNA) where: Base-Base interactions energy: -1214.448 where: short stacking energy: -570.221 Base-Backbone interact. energy: 1.331 local terms energy: -722.357474 where: bonds (distance) C4'-P energy: -142.222 bonds (distance) P-C4' energy: -153.369 flat angles C4'-P-C4' energy: -174.274 flat angles P-C4'-P energy: -99.894 tors. eta vs tors. theta energy: -152.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1952.663344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.663344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.663344 (E_RNA) where: Base-Base interactions energy: -1213.457 where: short stacking energy: -578.658 Base-Backbone interact. energy: 3.266 local terms energy: -742.472002 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -165.221 flat angles C4'-P-C4' energy: -174.936 flat angles P-C4'-P energy: -99.640 tors. eta vs tors. theta energy: -152.094 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: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1773.484927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.484927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.484927 (E_RNA) where: Base-Base interactions energy: -1104.827 where: short stacking energy: -514.420 Base-Backbone interact. energy: 7.819 local terms energy: -676.476967 where: bonds (distance) C4'-P energy: -139.340 bonds (distance) P-C4' energy: -160.788 flat angles C4'-P-C4' energy: -170.354 flat angles P-C4'-P energy: -90.230 tors. eta vs tors. theta energy: -115.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1620.088676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.088676 (E_RNA) where: Base-Base interactions energy: -1015.220 where: short stacking energy: -510.905 Base-Backbone interact. energy: -4.692 local terms energy: -600.176224 where: bonds (distance) C4'-P energy: -115.941 bonds (distance) P-C4' energy: -128.391 flat angles C4'-P-C4' energy: -151.880 flat angles P-C4'-P energy: -98.144 tors. eta vs tors. theta energy: -105.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1380.706874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.706874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.706874 (E_RNA) where: Base-Base interactions energy: -809.597 where: short stacking energy: -376.871 Base-Backbone interact. energy: 2.481 local terms energy: -573.590698 where: bonds (distance) C4'-P energy: -145.632 bonds (distance) P-C4' energy: -146.546 flat angles C4'-P-C4' energy: -137.651 flat angles P-C4'-P energy: -90.681 tors. eta vs tors. theta energy: -53.081 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: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1056.260702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.260702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.260702 (E_RNA) where: Base-Base interactions energy: -531.797 where: short stacking energy: -279.307 Base-Backbone interact. energy: -2.391 local terms energy: -522.073379 where: bonds (distance) C4'-P energy: -140.514 bonds (distance) P-C4' energy: -136.920 flat angles C4'-P-C4' energy: -148.414 flat angles P-C4'-P energy: -80.278 tors. eta vs tors. theta energy: -15.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -923.961612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.961612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.961612 (E_RNA) where: Base-Base interactions energy: -445.941 where: short stacking energy: -262.177 Base-Backbone interact. energy: -1.872 local terms energy: -476.149030 where: bonds (distance) C4'-P energy: -133.197 bonds (distance) P-C4' energy: -156.623 flat angles C4'-P-C4' energy: -111.673 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -18.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -798.142512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.142512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.142512 (E_RNA) where: Base-Base interactions energy: -348.265 where: short stacking energy: -202.495 Base-Backbone interact. energy: 1.500 local terms energy: -451.377454 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -149.734 flat angles C4'-P-C4' energy: -116.690 flat angles P-C4'-P energy: -58.355 tors. eta vs tors. theta energy: 19.807 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: 34 Temperature: 0.900000 Total energy: -2595.045543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.045543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.045543 (E_RNA) where: Base-Base interactions energy: -1757.821 where: short stacking energy: -744.223 Base-Backbone interact. energy: -3.521 local terms energy: -833.703942 where: bonds (distance) C4'-P energy: -177.320 bonds (distance) P-C4' energy: -178.509 flat angles C4'-P-C4' energy: -176.215 flat angles P-C4'-P energy: -108.856 tors. eta vs tors. theta energy: -192.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2013.996861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.996861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.996861 (E_RNA) where: Base-Base interactions energy: -1262.910 where: short stacking energy: -634.295 Base-Backbone interact. energy: -0.540 local terms energy: -750.547462 where: bonds (distance) C4'-P energy: -144.842 bonds (distance) P-C4' energy: -166.875 flat angles C4'-P-C4' energy: -175.987 flat angles P-C4'-P energy: -102.712 tors. eta vs tors. theta energy: -160.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1911.788779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.788779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.788779 (E_RNA) where: Base-Base interactions energy: -1223.941 where: short stacking energy: -583.031 Base-Backbone interact. energy: -2.626 local terms energy: -685.221784 where: bonds (distance) C4'-P energy: -140.093 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -160.867 flat angles P-C4'-P energy: -92.581 tors. eta vs tors. theta energy: -147.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1932.728817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.728817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.728817 (E_RNA) where: Base-Base interactions energy: -1219.965 where: short stacking energy: -578.316 Base-Backbone interact. energy: -3.472 local terms energy: -709.291241 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -151.509 flat angles C4'-P-C4' energy: -163.338 flat angles P-C4'-P energy: -106.504 tors. eta vs tors. theta energy: -148.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1813.579046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.579046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.579046 (E_RNA) where: Base-Base interactions energy: -1132.550 where: short stacking energy: -536.319 Base-Backbone interact. energy: -0.530 local terms energy: -680.499055 where: bonds (distance) C4'-P energy: -144.294 bonds (distance) P-C4' energy: -151.176 flat angles C4'-P-C4' energy: -169.451 flat angles P-C4'-P energy: -96.692 tors. eta vs tors. theta energy: -118.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1611.415752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.415752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.415752 (E_RNA) where: Base-Base interactions energy: -968.504 where: short stacking energy: -461.104 Base-Backbone interact. energy: 6.016 local terms energy: -648.928310 where: bonds (distance) C4'-P energy: -152.627 bonds (distance) P-C4' energy: -148.155 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -97.520 tors. eta vs tors. theta energy: -106.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1450.617649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.617649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.617649 (E_RNA) where: Base-Base interactions energy: -900.757 where: short stacking energy: -417.984 Base-Backbone interact. energy: -1.961 local terms energy: -547.899227 where: bonds (distance) C4'-P energy: -127.903 bonds (distance) P-C4' energy: -147.891 flat angles C4'-P-C4' energy: -113.663 flat angles P-C4'-P energy: -93.833 tors. eta vs tors. theta energy: -64.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1062.018951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.018951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.018951 (E_RNA) where: Base-Base interactions energy: -546.422 where: short stacking energy: -269.250 Base-Backbone interact. energy: -3.363 local terms energy: -512.233487 where: bonds (distance) C4'-P energy: -152.318 bonds (distance) P-C4' energy: -140.749 flat angles C4'-P-C4' energy: -137.282 flat angles P-C4'-P energy: -59.717 tors. eta vs tors. theta energy: -22.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -919.558051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.558051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.558051 (E_RNA) where: Base-Base interactions energy: -461.364 where: short stacking energy: -273.048 Base-Backbone interact. energy: 3.335 local terms energy: -461.529411 where: bonds (distance) C4'-P energy: -127.609 bonds (distance) P-C4' energy: -130.818 flat angles C4'-P-C4' energy: -127.595 flat angles P-C4'-P energy: -59.806 tors. eta vs tors. theta energy: -15.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -769.294695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.294695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.294695 (E_RNA) where: Base-Base interactions energy: -370.782 where: short stacking energy: -207.115 Base-Backbone interact. energy: -3.313 local terms energy: -395.200335 where: bonds (distance) C4'-P energy: -110.851 bonds (distance) P-C4' energy: -126.774 flat angles C4'-P-C4' energy: -127.022 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: 39.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2621.212584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.212584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.212584 (E_RNA) where: Base-Base interactions energy: -1791.792 where: short stacking energy: -768.206 Base-Backbone interact. energy: -3.396 local terms energy: -826.024506 where: bonds (distance) C4'-P energy: -169.193 bonds (distance) P-C4' energy: -164.819 flat angles C4'-P-C4' energy: -174.147 flat angles P-C4'-P energy: -108.014 tors. eta vs tors. theta energy: -209.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2015.557180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.557180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.557180 (E_RNA) where: Base-Base interactions energy: -1236.422 where: short stacking energy: -632.720 Base-Backbone interact. energy: 1.199 local terms energy: -780.334676 where: bonds (distance) C4'-P energy: -177.953 bonds (distance) P-C4' energy: -155.231 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -112.832 tors. eta vs tors. theta energy: -163.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1985.874892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.874892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.874892 (E_RNA) where: Base-Base interactions energy: -1287.800 where: short stacking energy: -600.412 Base-Backbone interact. energy: -2.627 local terms energy: -695.447986 where: bonds (distance) C4'-P energy: -133.459 bonds (distance) P-C4' energy: -162.738 flat angles C4'-P-C4' energy: -157.981 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -142.251 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: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1957.340556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.340556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.340556 (E_RNA) where: Base-Base interactions energy: -1301.006 where: short stacking energy: -588.171 Base-Backbone interact. energy: -1.518 local terms energy: -654.816833 where: bonds (distance) C4'-P energy: -130.680 bonds (distance) P-C4' energy: -145.833 flat angles C4'-P-C4' energy: -158.051 flat angles P-C4'-P energy: -95.747 tors. eta vs tors. theta energy: -124.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1850.560562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.560562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.560562 (E_RNA) where: Base-Base interactions energy: -1163.984 where: short stacking energy: -552.571 Base-Backbone interact. energy: 1.124 local terms energy: -687.700451 where: bonds (distance) C4'-P energy: -144.943 bonds (distance) P-C4' energy: -152.828 flat angles C4'-P-C4' energy: -165.281 flat angles P-C4'-P energy: -95.005 tors. eta vs tors. theta energy: -129.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1605.902229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.902229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.902229 (E_RNA) where: Base-Base interactions energy: -992.913 where: short stacking energy: -480.387 Base-Backbone interact. energy: 0.019 local terms energy: -613.008059 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -147.047 flat angles C4'-P-C4' energy: -164.486 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: -99.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1432.507469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.507469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.507469 (E_RNA) where: Base-Base interactions energy: -868.449 where: short stacking energy: -410.735 Base-Backbone interact. energy: 6.634 local terms energy: -570.692111 where: bonds (distance) C4'-P energy: -137.296 bonds (distance) P-C4' energy: -132.765 flat angles C4'-P-C4' energy: -157.850 flat angles P-C4'-P energy: -68.885 tors. eta vs tors. theta energy: -73.895 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: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1096.349846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.349846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.349846 (E_RNA) where: Base-Base interactions energy: -584.116 where: short stacking energy: -300.988 Base-Backbone interact. energy: 3.282 local terms energy: -515.515816 where: bonds (distance) C4'-P energy: -141.651 bonds (distance) P-C4' energy: -137.114 flat angles C4'-P-C4' energy: -126.323 flat angles P-C4'-P energy: -91.987 tors. eta vs tors. theta energy: -18.441 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: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -893.573510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.573510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.573510 (E_RNA) where: Base-Base interactions energy: -426.904 where: short stacking energy: -239.325 Base-Backbone interact. energy: 1.374 local terms energy: -468.043704 where: bonds (distance) C4'-P energy: -133.948 bonds (distance) P-C4' energy: -148.974 flat angles C4'-P-C4' energy: -107.166 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -772.546475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.546475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.546475 (E_RNA) where: Base-Base interactions energy: -357.109 where: short stacking energy: -219.298 Base-Backbone interact. energy: -3.993 local terms energy: -411.444986 where: bonds (distance) C4'-P energy: -125.127 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -118.352 flat angles P-C4'-P energy: -55.687 tors. eta vs tors. theta energy: 9.565 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: 1, replica: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2652.429117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.429117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.429117 (E_RNA) where: Base-Base interactions energy: -1793.013 where: short stacking energy: -758.971 Base-Backbone interact. energy: -0.476 local terms energy: -858.940356 where: bonds (distance) C4'-P energy: -162.255 bonds (distance) P-C4' energy: -184.274 flat angles C4'-P-C4' energy: -195.000 flat angles P-C4'-P energy: -106.420 tors. eta vs tors. theta energy: -210.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2041.350216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.350216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.350216 (E_RNA) where: Base-Base interactions energy: -1254.125 where: short stacking energy: -632.503 Base-Backbone interact. energy: 1.205 local terms energy: -788.430260 where: bonds (distance) C4'-P energy: -160.303 bonds (distance) P-C4' energy: -167.545 flat angles C4'-P-C4' energy: -177.953 flat angles P-C4'-P energy: -120.442 tors. eta vs tors. theta energy: -162.188 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: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2145.589357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.589357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.589357 (E_RNA) where: Base-Base interactions energy: -1393.952 where: short stacking energy: -693.090 Base-Backbone interact. energy: -0.053 local terms energy: -751.583708 where: bonds (distance) C4'-P energy: -145.554 bonds (distance) P-C4' energy: -163.558 flat angles C4'-P-C4' energy: -176.084 flat angles P-C4'-P energy: -87.868 tors. eta vs tors. theta energy: -178.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1884.098561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.098561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.098561 (E_RNA) where: Base-Base interactions energy: -1171.038 where: short stacking energy: -541.836 Base-Backbone interact. energy: -3.078 local terms energy: -709.983034 where: bonds (distance) C4'-P energy: -151.065 bonds (distance) P-C4' energy: -148.916 flat angles C4'-P-C4' energy: -167.461 flat angles P-C4'-P energy: -108.622 tors. eta vs tors. theta energy: -133.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1903.970245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.970245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.970245 (E_RNA) where: Base-Base interactions energy: -1183.077 where: short stacking energy: -564.376 Base-Backbone interact. energy: 0.598 local terms energy: -721.490889 where: bonds (distance) C4'-P energy: -165.516 bonds (distance) P-C4' energy: -160.592 flat angles C4'-P-C4' energy: -172.078 flat angles P-C4'-P energy: -108.449 tors. eta vs tors. theta energy: -114.857 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1648.676734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.676734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.676734 (E_RNA) where: Base-Base interactions energy: -997.170 where: short stacking energy: -471.378 Base-Backbone interact. energy: -0.178 local terms energy: -651.329093 where: bonds (distance) C4'-P energy: -139.627 bonds (distance) P-C4' energy: -138.572 flat angles C4'-P-C4' energy: -142.882 flat angles P-C4'-P energy: -96.609 tors. eta vs tors. theta energy: -133.640 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: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1358.888198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.888198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.888198 (E_RNA) where: Base-Base interactions energy: -827.256 where: short stacking energy: -410.746 Base-Backbone interact. energy: 1.834 local terms energy: -533.465602 where: bonds (distance) C4'-P energy: -127.091 bonds (distance) P-C4' energy: -141.906 flat angles C4'-P-C4' energy: -134.948 flat angles P-C4'-P energy: -68.519 tors. eta vs tors. theta energy: -61.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1172.756053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.756053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.756053 (E_RNA) where: Base-Base interactions energy: -668.340 where: short stacking energy: -331.405 Base-Backbone interact. energy: 3.723 local terms energy: -508.139369 where: bonds (distance) C4'-P energy: -128.335 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -128.832 flat angles P-C4'-P energy: -78.034 tors. eta vs tors. theta energy: -25.311 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: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -924.993154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.993154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.993154 (E_RNA) where: Base-Base interactions energy: -436.918 where: short stacking energy: -265.001 Base-Backbone interact. energy: 1.859 local terms energy: -489.934129 where: bonds (distance) C4'-P energy: -139.567 bonds (distance) P-C4' energy: -148.319 flat angles C4'-P-C4' energy: -120.400 flat angles P-C4'-P energy: -64.810 tors. eta vs tors. theta energy: -16.839 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -799.342567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.342567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.342567 (E_RNA) where: Base-Base interactions energy: -344.829 where: short stacking energy: -222.438 Base-Backbone interact. energy: 8.407 local terms energy: -462.920490 where: bonds (distance) C4'-P energy: -126.100 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -119.547 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: 4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2621.999120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.999120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.999120 (E_RNA) where: Base-Base interactions energy: -1775.268 where: short stacking energy: -762.810 Base-Backbone interact. energy: -4.327 local terms energy: -842.403752 where: bonds (distance) C4'-P energy: -165.415 bonds (distance) P-C4' energy: -172.177 flat angles C4'-P-C4' energy: -186.617 flat angles P-C4'-P energy: -113.475 tors. eta vs tors. theta energy: -204.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2251.767075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.767075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.767075 (E_RNA) where: Base-Base interactions energy: -1458.437 where: short stacking energy: -672.680 Base-Backbone interact. energy: 1.642 local terms energy: -794.971876 where: bonds (distance) C4'-P energy: -160.577 bonds (distance) P-C4' energy: -167.743 flat angles C4'-P-C4' energy: -166.748 flat angles P-C4'-P energy: -120.859 tors. eta vs tors. theta energy: -179.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2024.663196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.663196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.663196 (E_RNA) where: Base-Base interactions energy: -1248.293 where: short stacking energy: -634.601 Base-Backbone interact. energy: -4.118 local terms energy: -772.252320 where: bonds (distance) C4'-P energy: -164.095 bonds (distance) P-C4' energy: -165.543 flat angles C4'-P-C4' energy: -167.147 flat angles P-C4'-P energy: -117.718 tors. eta vs tors. theta energy: -157.750 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: 37 Temperature: 1.050000 Total energy: -1860.681443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.681443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.681443 (E_RNA) where: Base-Base interactions energy: -1147.313 where: short stacking energy: -552.402 Base-Backbone interact. energy: -2.166 local terms energy: -711.201891 where: bonds (distance) C4'-P energy: -155.130 bonds (distance) P-C4' energy: -143.203 flat angles C4'-P-C4' energy: -165.618 flat angles P-C4'-P energy: -93.879 tors. eta vs tors. theta energy: -153.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1842.335243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.335243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.335243 (E_RNA) where: Base-Base interactions energy: -1196.833 where: short stacking energy: -540.706 Base-Backbone interact. energy: 0.447 local terms energy: -645.949160 where: bonds (distance) C4'-P energy: -132.083 bonds (distance) P-C4' energy: -130.436 flat angles C4'-P-C4' energy: -170.419 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -122.173 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: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1651.128661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.128661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.128661 (E_RNA) where: Base-Base interactions energy: -978.256 where: short stacking energy: -481.091 Base-Backbone interact. energy: 0.695 local terms energy: -673.567327 where: bonds (distance) C4'-P energy: -146.034 bonds (distance) P-C4' energy: -162.634 flat angles C4'-P-C4' energy: -152.141 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -113.960 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: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1373.548246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.548246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.548246 (E_RNA) where: Base-Base interactions energy: -827.559 where: short stacking energy: -381.280 Base-Backbone interact. energy: 0.670 local terms energy: -546.658958 where: bonds (distance) C4'-P energy: -143.636 bonds (distance) P-C4' energy: -132.497 flat angles C4'-P-C4' energy: -120.785 flat angles P-C4'-P energy: -91.772 tors. eta vs tors. theta energy: -57.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1154.094629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.094629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.094629 (E_RNA) where: Base-Base interactions energy: -664.349 where: short stacking energy: -318.412 Base-Backbone interact. energy: -0.815 local terms energy: -488.931152 where: bonds (distance) C4'-P energy: -123.047 bonds (distance) P-C4' energy: -161.372 flat angles C4'-P-C4' energy: -122.441 flat angles P-C4'-P energy: -59.282 tors. eta vs tors. theta energy: -22.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -965.808832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.808832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.808832 (E_RNA) where: Base-Base interactions energy: -487.120 where: short stacking energy: -287.474 Base-Backbone interact. energy: -2.886 local terms energy: -475.803429 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -130.725 flat angles C4'-P-C4' energy: -123.584 flat angles P-C4'-P energy: -59.799 tors. eta vs tors. theta energy: -22.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -706.926065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.926065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.926065 (E_RNA) where: Base-Base interactions energy: -303.005 where: short stacking energy: -236.761 Base-Backbone interact. energy: -2.495 local terms energy: -401.426586 where: bonds (distance) C4'-P energy: -150.613 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -98.309 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: 25.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2611.769202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.769202 (E_RNA) where: Base-Base interactions energy: -1814.782 where: short stacking energy: -737.049 Base-Backbone interact. energy: -1.434 local terms energy: -795.552967 where: bonds (distance) C4'-P energy: -152.766 bonds (distance) P-C4' energy: -165.031 flat angles C4'-P-C4' energy: -174.808 flat angles P-C4'-P energy: -114.259 tors. eta vs tors. theta energy: -188.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2276.733332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.733332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.733332 (E_RNA) where: Base-Base interactions energy: -1500.009 where: short stacking energy: -687.639 Base-Backbone interact. energy: -2.192 local terms energy: -774.532487 where: bonds (distance) C4'-P energy: -158.786 bonds (distance) P-C4' energy: -166.006 flat angles C4'-P-C4' energy: -163.256 flat angles P-C4'-P energy: -111.355 tors. eta vs tors. theta energy: -175.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1988.182060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.182060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.182060 (E_RNA) where: Base-Base interactions energy: -1238.773 where: short stacking energy: -620.964 Base-Backbone interact. energy: -1.874 local terms energy: -747.535384 where: bonds (distance) C4'-P energy: -148.044 bonds (distance) P-C4' energy: -175.429 flat angles C4'-P-C4' energy: -164.770 flat angles P-C4'-P energy: -100.948 tors. eta vs tors. theta energy: -158.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1842.597657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.597657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.597657 (E_RNA) where: Base-Base interactions energy: -1130.370 where: short stacking energy: -573.800 Base-Backbone interact. energy: -2.940 local terms energy: -709.287386 where: bonds (distance) C4'-P energy: -150.188 bonds (distance) P-C4' energy: -160.937 flat angles C4'-P-C4' energy: -147.427 flat angles P-C4'-P energy: -105.320 tors. eta vs tors. theta energy: -145.416 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: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1836.608591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.608591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.608591 (E_RNA) where: Base-Base interactions energy: -1144.674 where: short stacking energy: -552.600 Base-Backbone interact. energy: -0.162 local terms energy: -691.772352 where: bonds (distance) C4'-P energy: -147.537 bonds (distance) P-C4' energy: -146.798 flat angles C4'-P-C4' energy: -154.001 flat angles P-C4'-P energy: -105.492 tors. eta vs tors. theta energy: -137.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1689.701745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.701745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.701745 (E_RNA) where: Base-Base interactions energy: -1051.521 where: short stacking energy: -488.477 Base-Backbone interact. energy: -1.414 local terms energy: -636.766937 where: bonds (distance) C4'-P energy: -143.328 bonds (distance) P-C4' energy: -157.632 flat angles C4'-P-C4' energy: -134.941 flat angles P-C4'-P energy: -97.107 tors. eta vs tors. theta energy: -103.759 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: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1398.280901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.280901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.280901 (E_RNA) where: Base-Base interactions energy: -810.693 where: short stacking energy: -380.275 Base-Backbone interact. energy: -1.594 local terms energy: -585.993925 where: bonds (distance) C4'-P energy: -129.934 bonds (distance) P-C4' energy: -150.393 flat angles C4'-P-C4' energy: -132.320 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -73.971 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: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1162.433209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.433209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.433209 (E_RNA) where: Base-Base interactions energy: -677.585 where: short stacking energy: -322.428 Base-Backbone interact. energy: 4.229 local terms energy: -489.077052 where: bonds (distance) C4'-P energy: -145.017 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -118.661 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -25.225 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: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -987.693681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.693681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.693681 (E_RNA) where: Base-Base interactions energy: -531.587 where: short stacking energy: -270.949 Base-Backbone interact. energy: 1.198 local terms energy: -457.304613 where: bonds (distance) C4'-P energy: -137.747 bonds (distance) P-C4' energy: -131.704 flat angles C4'-P-C4' energy: -125.724 flat angles P-C4'-P energy: -67.643 tors. eta vs tors. theta energy: 5.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -754.992256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.992256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.992256 (E_RNA) where: Base-Base interactions energy: -339.753 where: short stacking energy: -193.623 Base-Backbone interact. energy: 3.727 local terms energy: -418.966234 where: bonds (distance) C4'-P energy: -121.543 bonds (distance) P-C4' energy: -131.262 flat angles C4'-P-C4' energy: -100.088 flat angles P-C4'-P energy: -66.349 tors. eta vs tors. theta energy: 0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2616.556337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.556337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.556337 (E_RNA) where: Base-Base interactions energy: -1781.281 where: short stacking energy: -789.113 Base-Backbone interact. energy: -3.802 local terms energy: -831.473034 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -157.753 flat angles C4'-P-C4' energy: -171.910 flat angles P-C4'-P energy: -122.786 tors. eta vs tors. theta energy: -227.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2341.087409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.087409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.087409 (E_RNA) where: Base-Base interactions energy: -1559.406 where: short stacking energy: -726.507 Base-Backbone interact. energy: -2.720 local terms energy: -778.961319 where: bonds (distance) C4'-P energy: -141.060 bonds (distance) P-C4' energy: -175.219 flat angles C4'-P-C4' energy: -166.122 flat angles P-C4'-P energy: -108.699 tors. eta vs tors. theta energy: -187.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1930.802835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.802835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.802835 (E_RNA) where: Base-Base interactions energy: -1205.454 where: short stacking energy: -570.516 Base-Backbone interact. energy: -1.525 local terms energy: -723.824323 where: bonds (distance) C4'-P energy: -154.816 bonds (distance) P-C4' energy: -166.874 flat angles C4'-P-C4' energy: -157.443 flat angles P-C4'-P energy: -107.146 tors. eta vs tors. theta energy: -137.546 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: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1951.724696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.724696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.724696 (E_RNA) where: Base-Base interactions energy: -1206.962 where: short stacking energy: -590.273 Base-Backbone interact. energy: -1.861 local terms energy: -742.902034 where: bonds (distance) C4'-P energy: -151.462 bonds (distance) P-C4' energy: -172.761 flat angles C4'-P-C4' energy: -167.860 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -157.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1746.535613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.535613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.535613 (E_RNA) where: Base-Base interactions energy: -1082.981 where: short stacking energy: -522.822 Base-Backbone interact. energy: -1.858 local terms energy: -661.696617 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -161.757 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -94.218 tors. eta vs tors. theta energy: -121.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1706.502476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.502476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.502476 (E_RNA) where: Base-Base interactions energy: -1056.357 where: short stacking energy: -513.040 Base-Backbone interact. energy: -2.849 local terms energy: -647.296773 where: bonds (distance) C4'-P energy: -143.428 bonds (distance) P-C4' energy: -157.901 flat angles C4'-P-C4' energy: -143.531 flat angles P-C4'-P energy: -88.072 tors. eta vs tors. theta energy: -114.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1470.358633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.358633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.358633 (E_RNA) where: Base-Base interactions energy: -882.384 where: short stacking energy: -437.368 Base-Backbone interact. energy: 3.037 local terms energy: -591.011430 where: bonds (distance) C4'-P energy: -139.597 bonds (distance) P-C4' energy: -144.410 flat angles C4'-P-C4' energy: -129.945 flat angles P-C4'-P energy: -91.245 tors. eta vs tors. theta energy: -85.814 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: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1213.801606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.801606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.801606 (E_RNA) where: Base-Base interactions energy: -701.009 where: short stacking energy: -332.118 Base-Backbone interact. energy: 1.324 local terms energy: -514.116109 where: bonds (distance) C4'-P energy: -140.916 bonds (distance) P-C4' energy: -134.792 flat angles C4'-P-C4' energy: -134.556 flat angles P-C4'-P energy: -77.142 tors. eta vs tors. theta energy: -26.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1005.000107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.000107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.000107 (E_RNA) where: Base-Base interactions energy: -534.218 where: short stacking energy: -281.108 Base-Backbone interact. energy: 5.430 local terms energy: -476.212832 where: bonds (distance) C4'-P energy: -126.637 bonds (distance) P-C4' energy: -142.037 flat angles C4'-P-C4' energy: -126.471 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -19.877 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: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -752.813936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.813936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.813936 (E_RNA) where: Base-Base interactions energy: -347.810 where: short stacking energy: -197.992 Base-Backbone interact. energy: 3.917 local terms energy: -408.921007 where: bonds (distance) C4'-P energy: -129.802 bonds (distance) P-C4' energy: -128.760 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -84.929 tors. eta vs tors. theta energy: 46.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2626.284483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.284483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.284483 (E_RNA) where: Base-Base interactions energy: -1790.798 where: short stacking energy: -792.920 Base-Backbone interact. energy: -1.331 local terms energy: -834.155878 where: bonds (distance) C4'-P energy: -161.657 bonds (distance) P-C4' energy: -174.467 flat angles C4'-P-C4' energy: -177.069 flat angles P-C4'-P energy: -98.716 tors. eta vs tors. theta energy: -222.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2300.192415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.192415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.192415 (E_RNA) where: Base-Base interactions energy: -1500.688 where: short stacking energy: -691.274 Base-Backbone interact. energy: -1.474 local terms energy: -798.030405 where: bonds (distance) C4'-P energy: -163.345 bonds (distance) P-C4' energy: -162.782 flat angles C4'-P-C4' energy: -184.720 flat angles P-C4'-P energy: -106.058 tors. eta vs tors. theta energy: -181.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2074.146062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.146062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.146062 (E_RNA) where: Base-Base interactions energy: -1337.592 where: short stacking energy: -651.023 Base-Backbone interact. energy: 1.835 local terms energy: -738.389466 where: bonds (distance) C4'-P energy: -136.297 bonds (distance) P-C4' energy: -165.075 flat angles C4'-P-C4' energy: -162.219 flat angles P-C4'-P energy: -109.046 tors. eta vs tors. theta energy: -165.752 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1851.296875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.296875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.296875 (E_RNA) where: Base-Base interactions energy: -1105.239 where: short stacking energy: -593.265 Base-Backbone interact. energy: -2.525 local terms energy: -743.532417 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -166.504 flat angles C4'-P-C4' energy: -168.224 flat angles P-C4'-P energy: -110.796 tors. eta vs tors. theta energy: -162.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1797.707989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.707989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.707989 (E_RNA) where: Base-Base interactions energy: -1129.516 where: short stacking energy: -549.510 Base-Backbone interact. energy: 2.221 local terms energy: -670.413351 where: bonds (distance) C4'-P energy: -127.434 bonds (distance) P-C4' energy: -165.427 flat angles C4'-P-C4' energy: -153.435 flat angles P-C4'-P energy: -100.303 tors. eta vs tors. theta energy: -123.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1616.722921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.722921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.722921 (E_RNA) where: Base-Base interactions energy: -954.359 where: short stacking energy: -433.581 Base-Backbone interact. energy: 2.866 local terms energy: -665.229517 where: bonds (distance) C4'-P energy: -159.446 bonds (distance) P-C4' energy: -148.781 flat angles C4'-P-C4' energy: -161.131 flat angles P-C4'-P energy: -91.643 tors. eta vs tors. theta energy: -104.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1440.150155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.150155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.150155 (E_RNA) where: Base-Base interactions energy: -871.334 where: short stacking energy: -406.671 Base-Backbone interact. energy: 1.195 local terms energy: -570.010166 where: bonds (distance) C4'-P energy: -150.641 bonds (distance) P-C4' energy: -133.746 flat angles C4'-P-C4' energy: -141.574 flat angles P-C4'-P energy: -76.427 tors. eta vs tors. theta energy: -67.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1263.603158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.603158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.603158 (E_RNA) where: Base-Base interactions energy: -759.370 where: short stacking energy: -356.898 Base-Backbone interact. energy: 7.742 local terms energy: -511.974877 where: bonds (distance) C4'-P energy: -113.083 bonds (distance) P-C4' energy: -134.367 flat angles C4'-P-C4' energy: -140.817 flat angles P-C4'-P energy: -79.534 tors. eta vs tors. theta energy: -44.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1003.434564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.434564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.434564 (E_RNA) where: Base-Base interactions energy: -527.397 where: short stacking energy: -301.686 Base-Backbone interact. energy: 3.411 local terms energy: -479.448354 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -138.004 flat angles C4'-P-C4' energy: -119.123 flat angles P-C4'-P energy: -78.731 tors. eta vs tors. theta energy: -24.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -779.256980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.256980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.256980 (E_RNA) where: Base-Base interactions energy: -338.256 where: short stacking energy: -190.313 Base-Backbone interact. energy: 1.627 local terms energy: -442.627684 where: bonds (distance) C4'-P energy: -127.688 bonds (distance) P-C4' energy: -127.568 flat angles C4'-P-C4' energy: -130.686 flat angles P-C4'-P energy: -66.001 tors. eta vs tors. theta energy: 9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2652.830129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.830129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.830129 (E_RNA) where: Base-Base interactions energy: -1824.646 where: short stacking energy: -781.021 Base-Backbone interact. energy: -4.105 local terms energy: -824.079378 where: bonds (distance) C4'-P energy: -165.469 bonds (distance) P-C4' energy: -157.883 flat angles C4'-P-C4' energy: -181.824 flat angles P-C4'-P energy: -96.900 tors. eta vs tors. theta energy: -222.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2358.455924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.455924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.455924 (E_RNA) where: Base-Base interactions energy: -1565.532 where: short stacking energy: -700.297 Base-Backbone interact. energy: -1.879 local terms energy: -791.044323 where: bonds (distance) C4'-P energy: -152.072 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -180.118 flat angles P-C4'-P energy: -117.712 tors. eta vs tors. theta energy: -193.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2114.278419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.278419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.278419 (E_RNA) where: Base-Base interactions energy: -1347.115 where: short stacking energy: -682.139 Base-Backbone interact. energy: 0.898 local terms energy: -768.061539 where: bonds (distance) C4'-P energy: -156.590 bonds (distance) P-C4' energy: -148.521 flat angles C4'-P-C4' energy: -170.791 flat angles P-C4'-P energy: -112.686 tors. eta vs tors. theta energy: -179.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1816.453265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.453265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.453265 (E_RNA) where: Base-Base interactions energy: -1102.376 where: short stacking energy: -516.933 Base-Backbone interact. energy: -1.493 local terms energy: -712.584538 where: bonds (distance) C4'-P energy: -158.394 bonds (distance) P-C4' energy: -151.482 flat angles C4'-P-C4' energy: -154.493 flat angles P-C4'-P energy: -110.901 tors. eta vs tors. theta energy: -137.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1844.752469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.752469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.752469 (E_RNA) where: Base-Base interactions energy: -1144.480 where: short stacking energy: -538.728 Base-Backbone interact. energy: -1.598 local terms energy: -698.674371 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -149.434 flat angles C4'-P-C4' energy: -166.599 flat angles P-C4'-P energy: -113.461 tors. eta vs tors. theta energy: -136.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1584.664015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.664015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.664015 (E_RNA) where: Base-Base interactions energy: -963.128 where: short stacking energy: -442.492 Base-Backbone interact. energy: 5.297 local terms energy: -626.833073 where: bonds (distance) C4'-P energy: -143.621 bonds (distance) P-C4' energy: -155.333 flat angles C4'-P-C4' energy: -144.398 flat angles P-C4'-P energy: -107.550 tors. eta vs tors. theta energy: -75.931 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: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1484.709944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.709944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.709944 (E_RNA) where: Base-Base interactions energy: -887.025 where: short stacking energy: -425.955 Base-Backbone interact. energy: 5.229 local terms energy: -602.913713 where: bonds (distance) C4'-P energy: -152.349 bonds (distance) P-C4' energy: -136.090 flat angles C4'-P-C4' energy: -148.832 flat angles P-C4'-P energy: -88.081 tors. eta vs tors. theta energy: -77.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1228.939869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.939869 (E_RNA) where: Base-Base interactions energy: -697.124 where: short stacking energy: -334.094 Base-Backbone interact. energy: -0.760 local terms energy: -531.055518 where: bonds (distance) C4'-P energy: -146.263 bonds (distance) P-C4' energy: -135.329 flat angles C4'-P-C4' energy: -121.276 flat angles P-C4'-P energy: -91.032 tors. eta vs tors. theta energy: -37.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -977.585133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.585133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.585133 (E_RNA) where: Base-Base interactions energy: -494.876 where: short stacking energy: -288.462 Base-Backbone interact. energy: 1.647 local terms energy: -484.356244 where: bonds (distance) C4'-P energy: -125.848 bonds (distance) P-C4' energy: -134.210 flat angles C4'-P-C4' energy: -130.442 flat angles P-C4'-P energy: -80.217 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -749.472598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.472598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.472598 (E_RNA) where: Base-Base interactions energy: -323.453 where: short stacking energy: -216.283 Base-Backbone interact. energy: -3.394 local terms energy: -422.626359 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -135.757 flat angles C4'-P-C4' energy: -92.785 flat angles P-C4'-P energy: -81.224 tors. eta vs tors. theta energy: 16.037 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: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2665.840206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.840206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.840206 (E_RNA) where: Base-Base interactions energy: -1799.409 where: short stacking energy: -783.455 Base-Backbone interact. energy: -3.770 local terms energy: -862.661349 where: bonds (distance) C4'-P energy: -176.477 bonds (distance) P-C4' energy: -159.830 flat angles C4'-P-C4' energy: -176.389 flat angles P-C4'-P energy: -131.450 tors. eta vs tors. theta energy: -218.516 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: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2395.064244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.064244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.064244 (E_RNA) where: Base-Base interactions energy: -1594.975 where: short stacking energy: -719.283 Base-Backbone interact. energy: 0.080 local terms energy: -800.169743 where: bonds (distance) C4'-P energy: -162.598 bonds (distance) P-C4' energy: -164.654 flat angles C4'-P-C4' energy: -164.458 flat angles P-C4'-P energy: -119.595 tors. eta vs tors. theta energy: -188.864 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: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2095.018068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.018068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.018068 (E_RNA) where: Base-Base interactions energy: -1351.424 where: short stacking energy: -651.700 Base-Backbone interact. energy: -4.558 local terms energy: -739.035479 where: bonds (distance) C4'-P energy: -132.714 bonds (distance) P-C4' energy: -173.831 flat angles C4'-P-C4' energy: -168.899 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -149.794 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: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1806.416125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.416125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.416125 (E_RNA) where: Base-Base interactions energy: -1098.628 where: short stacking energy: -566.686 Base-Backbone interact. energy: 1.337 local terms energy: -709.125733 where: bonds (distance) C4'-P energy: -140.783 bonds (distance) P-C4' energy: -158.745 flat angles C4'-P-C4' energy: -177.265 flat angles P-C4'-P energy: -98.439 tors. eta vs tors. theta energy: -133.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1933.671391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.671391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.671391 (E_RNA) where: Base-Base interactions energy: -1244.796 where: short stacking energy: -576.948 Base-Backbone interact. energy: -2.174 local terms energy: -686.700767 where: bonds (distance) C4'-P energy: -135.727 bonds (distance) P-C4' energy: -153.961 flat angles C4'-P-C4' energy: -163.451 flat angles P-C4'-P energy: -107.659 tors. eta vs tors. theta energy: -125.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1579.123123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.123123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.123123 (E_RNA) where: Base-Base interactions energy: -952.461 where: short stacking energy: -474.096 Base-Backbone interact. energy: -1.929 local terms energy: -624.733753 where: bonds (distance) C4'-P energy: -132.614 bonds (distance) P-C4' energy: -149.278 flat angles C4'-P-C4' energy: -148.584 flat angles P-C4'-P energy: -89.807 tors. eta vs tors. theta energy: -104.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1474.239910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.239910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.239910 (E_RNA) where: Base-Base interactions energy: -861.288 where: short stacking energy: -415.680 Base-Backbone interact. energy: -0.741 local terms energy: -612.210666 where: bonds (distance) C4'-P energy: -161.967 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -153.251 flat angles P-C4'-P energy: -78.522 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: 8, replica: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1194.512127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.512127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.512127 (E_RNA) where: Base-Base interactions energy: -683.856 where: short stacking energy: -331.379 Base-Backbone interact. energy: 1.153 local terms energy: -511.809090 where: bonds (distance) C4'-P energy: -134.227 bonds (distance) P-C4' energy: -134.332 flat angles C4'-P-C4' energy: -119.431 flat angles P-C4'-P energy: -94.389 tors. eta vs tors. theta energy: -29.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -973.175898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.175898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.175898 (E_RNA) where: Base-Base interactions energy: -508.459 where: short stacking energy: -288.429 Base-Backbone interact. energy: 2.865 local terms energy: -467.582407 where: bonds (distance) C4'-P energy: -132.621 bonds (distance) P-C4' energy: -152.868 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: 6.322 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -735.672258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.672258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.672258 (E_RNA) where: Base-Base interactions energy: -306.241 where: short stacking energy: -208.464 Base-Backbone interact. energy: -3.597 local terms energy: -425.834991 where: bonds (distance) C4'-P energy: -103.804 bonds (distance) P-C4' energy: -134.803 flat angles C4'-P-C4' energy: -125.626 flat angles P-C4'-P energy: -79.621 tors. eta vs tors. theta energy: 18.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2693.981223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.981223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.981223 (E_RNA) where: Base-Base interactions energy: -1836.903 where: short stacking energy: -766.703 Base-Backbone interact. energy: -6.136 local terms energy: -850.941944 where: bonds (distance) C4'-P energy: -151.405 bonds (distance) P-C4' energy: -172.853 flat angles C4'-P-C4' energy: -183.106 flat angles P-C4'-P energy: -119.950 tors. eta vs tors. theta energy: -223.628 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: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2439.145625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.145625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.145625 (E_RNA) where: Base-Base interactions energy: -1646.973 where: short stacking energy: -720.868 Base-Backbone interact. energy: -4.530 local terms energy: -787.642293 where: bonds (distance) C4'-P energy: -146.733 bonds (distance) P-C4' energy: -159.071 flat angles C4'-P-C4' energy: -172.289 flat angles P-C4'-P energy: -119.447 tors. eta vs tors. theta energy: -190.102 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: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2182.585340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.585340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.585340 (E_RNA) where: Base-Base interactions energy: -1409.800 where: short stacking energy: -664.987 Base-Backbone interact. energy: -1.226 local terms energy: -771.559666 where: bonds (distance) C4'-P energy: -162.295 bonds (distance) P-C4' energy: -157.051 flat angles C4'-P-C4' energy: -165.121 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -181.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2006.670371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.670371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.670371 (E_RNA) where: Base-Base interactions energy: -1294.392 where: short stacking energy: -604.231 Base-Backbone interact. energy: -0.712 local terms energy: -711.566722 where: bonds (distance) C4'-P energy: -145.378 bonds (distance) P-C4' energy: -148.059 flat angles C4'-P-C4' energy: -171.304 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -156.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1706.296942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.296942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.296942 (E_RNA) where: Base-Base interactions energy: -1011.395 where: short stacking energy: -514.121 Base-Backbone interact. energy: 1.799 local terms energy: -696.700721 where: bonds (distance) C4'-P energy: -152.297 bonds (distance) P-C4' energy: -160.495 flat angles C4'-P-C4' energy: -165.354 flat angles P-C4'-P energy: -96.409 tors. eta vs tors. theta energy: -122.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1547.725375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.725375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.725375 (E_RNA) where: Base-Base interactions energy: -924.663 where: short stacking energy: -419.138 Base-Backbone interact. energy: -3.942 local terms energy: -619.120266 where: bonds (distance) C4'-P energy: -141.879 bonds (distance) P-C4' energy: -146.743 flat angles C4'-P-C4' energy: -157.203 flat angles P-C4'-P energy: -95.360 tors. eta vs tors. theta energy: -77.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1389.583551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.583551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.583551 (E_RNA) where: Base-Base interactions energy: -862.104 where: short stacking energy: -416.728 Base-Backbone interact. energy: -1.284 local terms energy: -526.195587 where: bonds (distance) C4'-P energy: -128.206 bonds (distance) P-C4' energy: -135.737 flat angles C4'-P-C4' energy: -146.413 flat angles P-C4'-P energy: -37.096 tors. eta vs tors. theta energy: -78.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1245.772481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.772481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.772481 (E_RNA) where: Base-Base interactions energy: -726.099 where: short stacking energy: -347.285 Base-Backbone interact. energy: -0.266 local terms energy: -519.406784 where: bonds (distance) C4'-P energy: -145.186 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -137.958 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -12.558 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: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1019.861404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.861404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.861404 (E_RNA) where: Base-Base interactions energy: -535.313 where: short stacking energy: -297.465 Base-Backbone interact. energy: 2.663 local terms energy: -487.211163 where: bonds (distance) C4'-P energy: -133.570 bonds (distance) P-C4' energy: -130.240 flat angles C4'-P-C4' energy: -133.490 flat angles P-C4'-P energy: -64.463 tors. eta vs tors. theta energy: -25.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -723.766404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.766404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.766404 (E_RNA) where: Base-Base interactions energy: -312.593 where: short stacking energy: -223.959 Base-Backbone interact. energy: -5.148 local terms energy: -406.025249 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -130.245 flat angles C4'-P-C4' energy: -98.060 flat angles P-C4'-P energy: -72.627 tors. eta vs tors. theta energy: 32.619 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: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2670.620550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.620550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.620550 (E_RNA) where: Base-Base interactions energy: -1786.975 where: short stacking energy: -775.060 Base-Backbone interact. energy: -4.341 local terms energy: -879.304583 where: bonds (distance) C4'-P energy: -173.313 bonds (distance) P-C4' energy: -182.945 flat angles C4'-P-C4' energy: -182.851 flat angles P-C4'-P energy: -115.754 tors. eta vs tors. theta energy: -224.442 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: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2461.261916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.261916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.261916 (E_RNA) where: Base-Base interactions energy: -1663.093 where: short stacking energy: -731.754 Base-Backbone interact. energy: -0.695 local terms energy: -797.473144 where: bonds (distance) C4'-P energy: -165.302 bonds (distance) P-C4' energy: -152.862 flat angles C4'-P-C4' energy: -165.514 flat angles P-C4'-P energy: -118.908 tors. eta vs tors. theta energy: -194.886 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: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2204.143693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.143693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.143693 (E_RNA) where: Base-Base interactions energy: -1425.253 where: short stacking energy: -684.118 Base-Backbone interact. energy: -1.234 local terms energy: -777.656757 where: bonds (distance) C4'-P energy: -156.494 bonds (distance) P-C4' energy: -159.055 flat angles C4'-P-C4' energy: -174.158 flat angles P-C4'-P energy: -98.198 tors. eta vs tors. theta energy: -189.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1979.949924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.949924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.949924 (E_RNA) where: Base-Base interactions energy: -1265.817 where: short stacking energy: -637.830 Base-Backbone interact. energy: -1.446 local terms energy: -712.687361 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -151.657 flat angles C4'-P-C4' energy: -169.847 flat angles P-C4'-P energy: -112.740 tors. eta vs tors. theta energy: -168.314 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: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1708.388662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.388662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.388662 (E_RNA) where: Base-Base interactions energy: -1060.903 where: short stacking energy: -521.929 Base-Backbone interact. energy: -2.087 local terms energy: -645.398469 where: bonds (distance) C4'-P energy: -126.014 bonds (distance) P-C4' energy: -143.236 flat angles C4'-P-C4' energy: -157.705 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -124.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1608.440918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.440918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.440918 (E_RNA) where: Base-Base interactions energy: -999.980 where: short stacking energy: -467.466 Base-Backbone interact. energy: -4.865 local terms energy: -603.596109 where: bonds (distance) C4'-P energy: -147.322 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -131.140 flat angles P-C4'-P energy: -91.086 tors. eta vs tors. theta energy: -102.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1439.171816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.171816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.171816 (E_RNA) where: Base-Base interactions energy: -867.405 where: short stacking energy: -433.834 Base-Backbone interact. energy: 0.860 local terms energy: -572.627132 where: bonds (distance) C4'-P energy: -114.976 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -137.254 flat angles P-C4'-P energy: -83.452 tors. eta vs tors. theta energy: -97.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1357.310425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.310425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.310425 (E_RNA) where: Base-Base interactions energy: -840.942 where: short stacking energy: -380.947 Base-Backbone interact. energy: -4.388 local terms energy: -511.980853 where: bonds (distance) C4'-P energy: -138.230 bonds (distance) P-C4' energy: -119.892 flat angles C4'-P-C4' energy: -127.181 flat angles P-C4'-P energy: -78.334 tors. eta vs tors. theta energy: -48.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -976.468036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.468036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.468036 (E_RNA) where: Base-Base interactions energy: -510.048 where: short stacking energy: -287.089 Base-Backbone interact. energy: 9.086 local terms energy: -475.505416 where: bonds (distance) C4'-P energy: -122.248 bonds (distance) P-C4' energy: -142.497 flat angles C4'-P-C4' energy: -132.471 flat angles P-C4'-P energy: -63.344 tors. eta vs tors. theta energy: -14.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -720.215426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.215426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.215426 (E_RNA) where: Base-Base interactions energy: -293.193 where: short stacking energy: -178.756 Base-Backbone interact. energy: 9.547 local terms energy: -436.569315 where: bonds (distance) C4'-P energy: -132.992 bonds (distance) P-C4' energy: -152.623 flat angles C4'-P-C4' energy: -123.004 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: 35.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2671.253711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.253711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.253711 (E_RNA) where: Base-Base interactions energy: -1858.007 where: short stacking energy: -775.192 Base-Backbone interact. energy: 2.953 local terms energy: -816.200096 where: bonds (distance) C4'-P energy: -141.450 bonds (distance) P-C4' energy: -154.797 flat angles C4'-P-C4' energy: -187.482 flat angles P-C4'-P energy: -122.294 tors. eta vs tors. theta energy: -210.177 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: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2488.275890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.275890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.275890 (E_RNA) where: Base-Base interactions energy: -1658.944 where: short stacking energy: -750.732 Base-Backbone interact. energy: -3.183 local terms energy: -826.149066 where: bonds (distance) C4'-P energy: -155.556 bonds (distance) P-C4' energy: -171.660 flat angles C4'-P-C4' energy: -177.340 flat angles P-C4'-P energy: -111.775 tors. eta vs tors. theta energy: -209.818 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: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2275.244018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.244018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.244018 (E_RNA) where: Base-Base interactions energy: -1465.046 where: short stacking energy: -641.418 Base-Backbone interact. energy: -0.483 local terms energy: -809.714414 where: bonds (distance) C4'-P energy: -167.471 bonds (distance) P-C4' energy: -172.779 flat angles C4'-P-C4' energy: -174.468 flat angles P-C4'-P energy: -110.124 tors. eta vs tors. theta energy: -184.873 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: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2055.416652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.416652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.416652 (E_RNA) where: Base-Base interactions energy: -1321.215 where: short stacking energy: -593.759 Base-Backbone interact. energy: -2.365 local terms energy: -731.836503 where: bonds (distance) C4'-P energy: -154.100 bonds (distance) P-C4' energy: -140.508 flat angles C4'-P-C4' energy: -159.489 flat angles P-C4'-P energy: -114.986 tors. eta vs tors. theta energy: -162.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1627.276723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.276723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.276723 (E_RNA) where: Base-Base interactions energy: -1013.823 where: short stacking energy: -491.726 Base-Backbone interact. energy: -1.720 local terms energy: -611.733756 where: bonds (distance) C4'-P energy: -142.146 bonds (distance) P-C4' energy: -137.569 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -87.189 tors. eta vs tors. theta energy: -96.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1649.249870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.249870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.249870 (E_RNA) where: Base-Base interactions energy: -1022.259 where: short stacking energy: -467.333 Base-Backbone interact. energy: -1.674 local terms energy: -625.315910 where: bonds (distance) C4'-P energy: -142.757 bonds (distance) P-C4' energy: -155.579 flat angles C4'-P-C4' energy: -150.658 flat angles P-C4'-P energy: -80.716 tors. eta vs tors. theta energy: -95.606 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: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1334.613671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.613671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.613671 (E_RNA) where: Base-Base interactions energy: -766.430 where: short stacking energy: -401.073 Base-Backbone interact. energy: -1.638 local terms energy: -566.546045 where: bonds (distance) C4'-P energy: -117.481 bonds (distance) P-C4' energy: -132.938 flat angles C4'-P-C4' energy: -154.560 flat angles P-C4'-P energy: -93.663 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: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1398.072489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.072489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.072489 (E_RNA) where: Base-Base interactions energy: -888.131 where: short stacking energy: -390.456 Base-Backbone interact. energy: 3.253 local terms energy: -513.194397 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -147.754 flat angles C4'-P-C4' energy: -141.690 flat angles P-C4'-P energy: -69.335 tors. eta vs tors. theta energy: -47.767 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: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1010.874447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.874447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.874447 (E_RNA) where: Base-Base interactions energy: -548.494 where: short stacking energy: -286.278 Base-Backbone interact. energy: -0.487 local terms energy: -461.892835 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -131.827 flat angles C4'-P-C4' energy: -113.202 flat angles P-C4'-P energy: -87.783 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -714.559034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.559034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.559034 (E_RNA) where: Base-Base interactions energy: -288.002 where: short stacking energy: -188.171 Base-Backbone interact. energy: 3.298 local terms energy: -429.855128 where: bonds (distance) C4'-P energy: -111.420 bonds (distance) P-C4' energy: -148.829 flat angles C4'-P-C4' energy: -107.149 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: 22.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2671.820331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.820331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.820331 (E_RNA) where: Base-Base interactions energy: -1803.697 where: short stacking energy: -775.218 Base-Backbone interact. energy: -7.794 local terms energy: -860.329019 where: bonds (distance) C4'-P energy: -164.951 bonds (distance) P-C4' energy: -165.295 flat angles C4'-P-C4' energy: -181.588 flat angles P-C4'-P energy: -128.567 tors. eta vs tors. theta energy: -219.928 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: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2451.505947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.505947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.505947 (E_RNA) where: Base-Base interactions energy: -1659.938 where: short stacking energy: -741.624 Base-Backbone interact. energy: -2.772 local terms energy: -788.796146 where: bonds (distance) C4'-P energy: -159.185 bonds (distance) P-C4' energy: -149.526 flat angles C4'-P-C4' energy: -168.278 flat angles P-C4'-P energy: -118.418 tors. eta vs tors. theta energy: -193.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2284.536649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.536649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.536649 (E_RNA) where: Base-Base interactions energy: -1504.801 where: short stacking energy: -666.583 Base-Backbone interact. energy: -3.585 local terms energy: -776.150706 where: bonds (distance) C4'-P energy: -143.688 bonds (distance) P-C4' energy: -155.868 flat angles C4'-P-C4' energy: -174.590 flat angles P-C4'-P energy: -122.525 tors. eta vs tors. theta energy: -179.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1994.990041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.990041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.990041 (E_RNA) where: Base-Base interactions energy: -1296.594 where: short stacking energy: -612.101 Base-Backbone interact. energy: 2.885 local terms energy: -701.280435 where: bonds (distance) C4'-P energy: -140.858 bonds (distance) P-C4' energy: -162.189 flat angles C4'-P-C4' energy: -158.832 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -145.617 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: 46 Temperature: 1.100000 Total energy: -1845.739820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.739820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.739820 (E_RNA) where: Base-Base interactions energy: -1168.211 where: short stacking energy: -554.562 Base-Backbone interact. energy: -1.731 local terms energy: -675.797428 where: bonds (distance) C4'-P energy: -143.460 bonds (distance) P-C4' energy: -152.131 flat angles C4'-P-C4' energy: -165.875 flat angles P-C4'-P energy: -95.313 tors. eta vs tors. theta energy: -119.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1549.283548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.283548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.283548 (E_RNA) where: Base-Base interactions energy: -943.515 where: short stacking energy: -462.503 Base-Backbone interact. energy: 4.133 local terms energy: -609.901355 where: bonds (distance) C4'-P energy: -137.881 bonds (distance) P-C4' energy: -124.626 flat angles C4'-P-C4' energy: -152.841 flat angles P-C4'-P energy: -83.847 tors. eta vs tors. theta energy: -110.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1436.704474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.704474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.704474 (E_RNA) where: Base-Base interactions energy: -867.407 where: short stacking energy: -400.745 Base-Backbone interact. energy: 1.375 local terms energy: -570.672042 where: bonds (distance) C4'-P energy: -145.085 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -126.297 flat angles P-C4'-P energy: -74.351 tors. eta vs tors. theta energy: -71.201 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: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1214.211832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.211832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.211832 (E_RNA) where: Base-Base interactions energy: -705.496 where: short stacking energy: -331.301 Base-Backbone interact. energy: 10.535 local terms energy: -519.250254 where: bonds (distance) C4'-P energy: -136.448 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -108.594 flat angles P-C4'-P energy: -93.657 tors. eta vs tors. theta energy: -38.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -991.979370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.979370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.979370 (E_RNA) where: Base-Base interactions energy: -499.034 where: short stacking energy: -288.449 Base-Backbone interact. energy: 4.157 local terms energy: -497.101835 where: bonds (distance) C4'-P energy: -149.011 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -92.933 tors. eta vs tors. theta energy: -25.361 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: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -719.058355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.058355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.058355 (E_RNA) where: Base-Base interactions energy: -297.490 where: short stacking energy: -216.540 Base-Backbone interact. energy: 0.919 local terms energy: -422.487564 where: bonds (distance) C4'-P energy: -137.808 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -95.472 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: 8.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2712.483618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.483618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.483618 (E_RNA) where: Base-Base interactions energy: -1835.270 where: short stacking energy: -781.815 Base-Backbone interact. energy: -5.992 local terms energy: -871.221453 where: bonds (distance) C4'-P energy: -183.930 bonds (distance) P-C4' energy: -160.642 flat angles C4'-P-C4' energy: -175.262 flat angles P-C4'-P energy: -131.575 tors. eta vs tors. theta energy: -219.813 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: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2448.612285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.612285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.612285 (E_RNA) where: Base-Base interactions energy: -1635.399 where: short stacking energy: -714.761 Base-Backbone interact. energy: -0.235 local terms energy: -812.977776 where: bonds (distance) C4'-P energy: -140.117 bonds (distance) P-C4' energy: -166.571 flat angles C4'-P-C4' energy: -183.790 flat angles P-C4'-P energy: -123.907 tors. eta vs tors. theta energy: -198.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2202.913652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.913652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.913652 (E_RNA) where: Base-Base interactions energy: -1419.909 where: short stacking energy: -651.624 Base-Backbone interact. energy: 2.113 local terms energy: -785.117702 where: bonds (distance) C4'-P energy: -157.121 bonds (distance) P-C4' energy: -159.461 flat angles C4'-P-C4' energy: -179.544 flat angles P-C4'-P energy: -113.597 tors. eta vs tors. theta energy: -175.394 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: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2123.663841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.663841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.663841 (E_RNA) where: Base-Base interactions energy: -1375.055 where: short stacking energy: -628.235 Base-Backbone interact. energy: -3.714 local terms energy: -744.894705 where: bonds (distance) C4'-P energy: -151.653 bonds (distance) P-C4' energy: -159.624 flat angles C4'-P-C4' energy: -161.869 flat angles P-C4'-P energy: -107.349 tors. eta vs tors. theta energy: -164.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1833.980382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.980382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.980382 (E_RNA) where: Base-Base interactions energy: -1138.643 where: short stacking energy: -530.958 Base-Backbone interact. energy: -1.817 local terms energy: -693.520858 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -169.403 flat angles C4'-P-C4' energy: -167.507 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: -127.275 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: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1566.563689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.563689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.563689 (E_RNA) where: Base-Base interactions energy: -959.488 where: short stacking energy: -452.144 Base-Backbone interact. energy: 0.617 local terms energy: -607.693456 where: bonds (distance) C4'-P energy: -136.860 bonds (distance) P-C4' energy: -173.622 flat angles C4'-P-C4' energy: -133.819 flat angles P-C4'-P energy: -81.742 tors. eta vs tors. theta energy: -81.650 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: 47 Temperature: 1.200000 Total energy: -1438.591919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.591919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.591919 (E_RNA) where: Base-Base interactions energy: -886.985 where: short stacking energy: -378.684 Base-Backbone interact. energy: -0.200 local terms energy: -551.406658 where: bonds (distance) C4'-P energy: -123.570 bonds (distance) P-C4' energy: -150.975 flat angles C4'-P-C4' energy: -127.306 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: -64.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1159.174829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.174829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.174829 (E_RNA) where: Base-Base interactions energy: -650.995 where: short stacking energy: -342.347 Base-Backbone interact. energy: -2.483 local terms energy: -505.697396 where: bonds (distance) C4'-P energy: -139.351 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -126.779 flat angles P-C4'-P energy: -59.285 tors. eta vs tors. theta energy: -45.351 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: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1019.475022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.475022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.475022 (E_RNA) where: Base-Base interactions energy: -556.317 where: short stacking energy: -296.718 Base-Backbone interact. energy: 6.004 local terms energy: -469.162176 where: bonds (distance) C4'-P energy: -148.053 bonds (distance) P-C4' energy: -150.857 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -57.949 tors. eta vs tors. theta energy: -18.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -722.648177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.648177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.648177 (E_RNA) where: Base-Base interactions energy: -294.400 where: short stacking energy: -194.572 Base-Backbone interact. energy: 8.434 local terms energy: -436.682187 where: bonds (distance) C4'-P energy: -120.816 bonds (distance) P-C4' energy: -143.933 flat angles C4'-P-C4' energy: -116.291 flat angles P-C4'-P energy: -71.597 tors. eta vs tors. theta energy: 15.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2651.899111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.899111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.899111 (E_RNA) where: Base-Base interactions energy: -1798.601 where: short stacking energy: -778.401 Base-Backbone interact. energy: -4.926 local terms energy: -848.371393 where: bonds (distance) C4'-P energy: -173.208 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -179.542 flat angles P-C4'-P energy: -109.595 tors. eta vs tors. theta energy: -223.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2438.099639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.099639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.099639 (E_RNA) where: Base-Base interactions energy: -1639.602 where: short stacking energy: -736.363 Base-Backbone interact. energy: -3.492 local terms energy: -795.006123 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -145.193 flat angles C4'-P-C4' energy: -180.330 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -213.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2309.206604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.206604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.206604 (E_RNA) where: Base-Base interactions energy: -1536.734 where: short stacking energy: -716.421 Base-Backbone interact. energy: 1.014 local terms energy: -773.486473 where: bonds (distance) C4'-P energy: -152.217 bonds (distance) P-C4' energy: -144.366 flat angles C4'-P-C4' energy: -172.744 flat angles P-C4'-P energy: -111.492 tors. eta vs tors. theta energy: -192.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2136.423829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.423829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.423829 (E_RNA) where: Base-Base interactions energy: -1415.099 where: short stacking energy: -626.135 Base-Backbone interact. energy: -2.757 local terms energy: -718.568109 where: bonds (distance) C4'-P energy: -138.184 bonds (distance) P-C4' energy: -134.706 flat angles C4'-P-C4' energy: -164.136 flat angles P-C4'-P energy: -112.262 tors. eta vs tors. theta energy: -169.280 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: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1802.731795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.731795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.731795 (E_RNA) where: Base-Base interactions energy: -1120.995 where: short stacking energy: -526.770 Base-Backbone interact. energy: -4.422 local terms energy: -677.314681 where: bonds (distance) C4'-P energy: -156.231 bonds (distance) P-C4' energy: -154.150 flat angles C4'-P-C4' energy: -138.841 flat angles P-C4'-P energy: -107.177 tors. eta vs tors. theta energy: -120.916 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: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1674.998229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.998229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.998229 (E_RNA) where: Base-Base interactions energy: -1069.899 where: short stacking energy: -469.804 Base-Backbone interact. energy: -3.784 local terms energy: -601.315507 where: bonds (distance) C4'-P energy: -122.345 bonds (distance) P-C4' energy: -151.023 flat angles C4'-P-C4' energy: -130.092 flat angles P-C4'-P energy: -102.471 tors. eta vs tors. theta energy: -95.385 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: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1546.619143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.619143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.619143 (E_RNA) where: Base-Base interactions energy: -960.511 where: short stacking energy: -416.736 Base-Backbone interact. energy: -0.889 local terms energy: -585.218817 where: bonds (distance) C4'-P energy: -126.295 bonds (distance) P-C4' energy: -163.834 flat angles C4'-P-C4' energy: -131.122 flat angles P-C4'-P energy: -93.213 tors. eta vs tors. theta energy: -70.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1123.286839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.286839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.286839 (E_RNA) where: Base-Base interactions energy: -623.746 where: short stacking energy: -331.804 Base-Backbone interact. energy: -3.342 local terms energy: -496.198614 where: bonds (distance) C4'-P energy: -123.526 bonds (distance) P-C4' energy: -134.960 flat angles C4'-P-C4' energy: -128.375 flat angles P-C4'-P energy: -71.397 tors. eta vs tors. theta energy: -37.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1066.478289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.478289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.478289 (E_RNA) where: Base-Base interactions energy: -532.669 where: short stacking energy: -305.798 Base-Backbone interact. energy: -1.739 local terms energy: -532.070036 where: bonds (distance) C4'-P energy: -132.854 bonds (distance) P-C4' energy: -151.973 flat angles C4'-P-C4' energy: -124.268 flat angles P-C4'-P energy: -93.515 tors. eta vs tors. theta energy: -29.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -785.242981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.242981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.242981 (E_RNA) where: Base-Base interactions energy: -361.544 where: short stacking energy: -224.612 Base-Backbone interact. energy: 5.357 local terms energy: -429.056003 where: bonds (distance) C4'-P energy: -122.174 bonds (distance) P-C4' energy: -158.709 flat angles C4'-P-C4' energy: -114.576 flat angles P-C4'-P energy: -63.771 tors. eta vs tors. theta energy: 30.174 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: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2695.739402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.739402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.739402 (E_RNA) where: Base-Base interactions energy: -1831.225 where: short stacking energy: -802.556 Base-Backbone interact. energy: -5.249 local terms energy: -859.265361 where: bonds (distance) C4'-P energy: -176.070 bonds (distance) P-C4' energy: -155.144 flat angles C4'-P-C4' energy: -189.975 flat angles P-C4'-P energy: -109.081 tors. eta vs tors. theta energy: -228.995 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: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2453.583418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.583418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.583418 (E_RNA) where: Base-Base interactions energy: -1653.366 where: short stacking energy: -695.129 Base-Backbone interact. energy: 1.189 local terms energy: -801.406224 where: bonds (distance) C4'-P energy: -152.229 bonds (distance) P-C4' energy: -163.145 flat angles C4'-P-C4' energy: -179.185 flat angles P-C4'-P energy: -123.361 tors. eta vs tors. theta energy: -183.485 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: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2341.521993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.521993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.521993 (E_RNA) where: Base-Base interactions energy: -1534.753 where: short stacking energy: -679.976 Base-Backbone interact. energy: -4.193 local terms energy: -802.575735 where: bonds (distance) C4'-P energy: -152.568 bonds (distance) P-C4' energy: -172.156 flat angles C4'-P-C4' energy: -169.379 flat angles P-C4'-P energy: -117.192 tors. eta vs tors. theta energy: -191.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2142.015556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.015556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.015556 (E_RNA) where: Base-Base interactions energy: -1413.432 where: short stacking energy: -664.259 Base-Backbone interact. energy: -2.576 local terms energy: -726.007372 where: bonds (distance) C4'-P energy: -158.724 bonds (distance) P-C4' energy: -131.540 flat angles C4'-P-C4' energy: -166.479 flat angles P-C4'-P energy: -99.466 tors. eta vs tors. theta energy: -169.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1826.048534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.048534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.048534 (E_RNA) where: Base-Base interactions energy: -1137.440 where: short stacking energy: -516.741 Base-Backbone interact. energy: -2.610 local terms energy: -685.999149 where: bonds (distance) C4'-P energy: -160.659 bonds (distance) P-C4' energy: -141.018 flat angles C4'-P-C4' energy: -156.035 flat angles P-C4'-P energy: -104.654 tors. eta vs tors. theta energy: -123.633 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: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1643.469086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.469086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.469086 (E_RNA) where: Base-Base interactions energy: -1030.494 where: short stacking energy: -459.707 Base-Backbone interact. energy: -3.885 local terms energy: -609.090007 where: bonds (distance) C4'-P energy: -127.716 bonds (distance) P-C4' energy: -139.814 flat angles C4'-P-C4' energy: -161.969 flat angles P-C4'-P energy: -93.278 tors. eta vs tors. theta energy: -86.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1562.709820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.709820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.709820 (E_RNA) where: Base-Base interactions energy: -948.697 where: short stacking energy: -425.208 Base-Backbone interact. energy: -3.098 local terms energy: -610.914688 where: bonds (distance) C4'-P energy: -142.566 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -84.246 tors. eta vs tors. theta energy: -87.192 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: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1129.201100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.201100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.201100 (E_RNA) where: Base-Base interactions energy: -610.948 where: short stacking energy: -358.046 Base-Backbone interact. energy: -0.649 local terms energy: -517.604792 where: bonds (distance) C4'-P energy: -118.054 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -146.308 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -53.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1001.719742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.719742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.719742 (E_RNA) where: Base-Base interactions energy: -477.741 where: short stacking energy: -251.800 Base-Backbone interact. energy: 3.095 local terms energy: -527.074399 where: bonds (distance) C4'-P energy: -140.291 bonds (distance) P-C4' energy: -163.041 flat angles C4'-P-C4' energy: -118.212 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -34.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -719.262231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.262231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.262231 (E_RNA) where: Base-Base interactions energy: -303.810 where: short stacking energy: -214.071 Base-Backbone interact. energy: 6.157 local terms energy: -421.609244 where: bonds (distance) C4'-P energy: -121.214 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -97.744 flat angles P-C4'-P energy: -82.434 tors. eta vs tors. theta energy: 11.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2699.278097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.278097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.278097 (E_RNA) where: Base-Base interactions energy: -1804.781 where: short stacking energy: -798.783 Base-Backbone interact. energy: -5.411 local terms energy: -889.085753 where: bonds (distance) C4'-P energy: -160.762 bonds (distance) P-C4' energy: -179.068 flat angles C4'-P-C4' energy: -190.962 flat angles P-C4'-P energy: -138.914 tors. eta vs tors. theta energy: -219.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2522.174069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.174069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.174069 (E_RNA) where: Base-Base interactions energy: -1687.980 where: short stacking energy: -758.279 Base-Backbone interact. energy: -5.918 local terms energy: -828.276082 where: bonds (distance) C4'-P energy: -166.598 bonds (distance) P-C4' energy: -152.856 flat angles C4'-P-C4' energy: -180.445 flat angles P-C4'-P energy: -121.387 tors. eta vs tors. theta energy: -206.991 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: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2353.433242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.433242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.433242 (E_RNA) where: Base-Base interactions energy: -1577.464 where: short stacking energy: -712.694 Base-Backbone interact. energy: 6.385 local terms energy: -782.354399 where: bonds (distance) C4'-P energy: -133.887 bonds (distance) P-C4' energy: -161.144 flat angles C4'-P-C4' energy: -174.469 flat angles P-C4'-P energy: -130.314 tors. eta vs tors. theta energy: -182.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2160.192050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.192050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.192050 (E_RNA) where: Base-Base interactions energy: -1402.496 where: short stacking energy: -652.051 Base-Backbone interact. energy: -2.845 local terms energy: -754.850705 where: bonds (distance) C4'-P energy: -157.932 bonds (distance) P-C4' energy: -150.944 flat angles C4'-P-C4' energy: -154.418 flat angles P-C4'-P energy: -119.406 tors. eta vs tors. theta energy: -172.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1913.878768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.878768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.878768 (E_RNA) where: Base-Base interactions energy: -1226.006 where: short stacking energy: -558.629 Base-Backbone interact. energy: -1.132 local terms energy: -686.740934 where: bonds (distance) C4'-P energy: -133.806 bonds (distance) P-C4' energy: -145.551 flat angles C4'-P-C4' energy: -172.646 flat angles P-C4'-P energy: -115.001 tors. eta vs tors. theta energy: -119.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1743.738727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.738727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.738727 (E_RNA) where: Base-Base interactions energy: -1087.560 where: short stacking energy: -478.546 Base-Backbone interact. energy: -4.168 local terms energy: -652.010383 where: bonds (distance) C4'-P energy: -142.268 bonds (distance) P-C4' energy: -146.584 flat angles C4'-P-C4' energy: -152.682 flat angles P-C4'-P energy: -90.615 tors. eta vs tors. theta energy: -119.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1619.977798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.977798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.977798 (E_RNA) where: Base-Base interactions energy: -1011.491 where: short stacking energy: -454.363 Base-Backbone interact. energy: -3.102 local terms energy: -605.384654 where: bonds (distance) C4'-P energy: -132.981 bonds (distance) P-C4' energy: -144.452 flat angles C4'-P-C4' energy: -137.595 flat angles P-C4'-P energy: -104.817 tors. eta vs tors. theta energy: -85.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1072.981913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.981913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.981913 (E_RNA) where: Base-Base interactions energy: -570.617 where: short stacking energy: -330.541 Base-Backbone interact. energy: 7.909 local terms energy: -510.274776 where: bonds (distance) C4'-P energy: -137.025 bonds (distance) P-C4' energy: -132.091 flat angles C4'-P-C4' energy: -121.648 flat angles P-C4'-P energy: -73.416 tors. eta vs tors. theta energy: -46.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -968.598234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.598234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.598234 (E_RNA) where: Base-Base interactions energy: -496.359 where: short stacking energy: -299.629 Base-Backbone interact. energy: 2.636 local terms energy: -474.875342 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -169.917 flat angles C4'-P-C4' energy: -105.583 flat angles P-C4'-P energy: -64.407 tors. eta vs tors. theta energy: -16.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -744.543677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.543677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.543677 (E_RNA) where: Base-Base interactions energy: -318.938 where: short stacking energy: -183.990 Base-Backbone interact. energy: -2.657 local terms energy: -422.949141 where: bonds (distance) C4'-P energy: -123.568 bonds (distance) P-C4' energy: -145.682 flat angles C4'-P-C4' energy: -120.787 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: 32.456 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: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2684.269981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.269981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.269981 (E_RNA) where: Base-Base interactions energy: -1809.607 where: short stacking energy: -802.110 Base-Backbone interact. energy: -3.122 local terms energy: -871.540879 where: bonds (distance) C4'-P energy: -166.230 bonds (distance) P-C4' energy: -165.475 flat angles C4'-P-C4' energy: -188.240 flat angles P-C4'-P energy: -143.075 tors. eta vs tors. theta energy: -208.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2481.354928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.354928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.354928 (E_RNA) where: Base-Base interactions energy: -1638.661 where: short stacking energy: -739.400 Base-Backbone interact. energy: -3.899 local terms energy: -838.794606 where: bonds (distance) C4'-P energy: -155.203 bonds (distance) P-C4' energy: -173.945 flat angles C4'-P-C4' energy: -173.235 flat angles P-C4'-P energy: -119.902 tors. eta vs tors. theta energy: -216.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2446.473924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.473924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.473924 (E_RNA) where: Base-Base interactions energy: -1627.092 where: short stacking energy: -722.194 Base-Backbone interact. energy: -2.624 local terms energy: -816.758023 where: bonds (distance) C4'-P energy: -154.305 bonds (distance) P-C4' energy: -162.225 flat angles C4'-P-C4' energy: -168.420 flat angles P-C4'-P energy: -129.503 tors. eta vs tors. theta energy: -202.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2180.416788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.416788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.416788 (E_RNA) where: Base-Base interactions energy: -1428.784 where: short stacking energy: -647.498 Base-Backbone interact. energy: -5.327 local terms energy: -746.306466 where: bonds (distance) C4'-P energy: -159.958 bonds (distance) P-C4' energy: -162.845 flat angles C4'-P-C4' energy: -154.514 flat angles P-C4'-P energy: -103.118 tors. eta vs tors. theta energy: -165.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1897.581799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.581799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.581799 (E_RNA) where: Base-Base interactions energy: -1206.157 where: short stacking energy: -560.206 Base-Backbone interact. energy: -0.710 local terms energy: -690.714739 where: bonds (distance) C4'-P energy: -145.637 bonds (distance) P-C4' energy: -159.385 flat angles C4'-P-C4' energy: -158.551 flat angles P-C4'-P energy: -110.086 tors. eta vs tors. theta energy: -117.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1735.264744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.264744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.264744 (E_RNA) where: Base-Base interactions energy: -1075.739 where: short stacking energy: -525.308 Base-Backbone interact. energy: -1.651 local terms energy: -657.875106 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -156.202 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -86.444 tors. eta vs tors. theta energy: -138.254 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: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1606.607152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.607152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.607152 (E_RNA) where: Base-Base interactions energy: -1000.127 where: short stacking energy: -446.844 Base-Backbone interact. energy: 1.632 local terms energy: -608.112236 where: bonds (distance) C4'-P energy: -122.907 bonds (distance) P-C4' energy: -159.748 flat angles C4'-P-C4' energy: -144.985 flat angles P-C4'-P energy: -87.798 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: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1207.134442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.134442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.134442 (E_RNA) where: Base-Base interactions energy: -700.913 where: short stacking energy: -356.305 Base-Backbone interact. energy: -1.654 local terms energy: -504.566908 where: bonds (distance) C4'-P energy: -128.885 bonds (distance) P-C4' energy: -132.097 flat angles C4'-P-C4' energy: -120.492 flat angles P-C4'-P energy: -72.204 tors. eta vs tors. theta energy: -50.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -905.572035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.572035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.572035 (E_RNA) where: Base-Base interactions energy: -427.674 where: short stacking energy: -267.909 Base-Backbone interact. energy: -4.044 local terms energy: -473.854155 where: bonds (distance) C4'-P energy: -129.171 bonds (distance) P-C4' energy: -128.102 flat angles C4'-P-C4' energy: -120.728 flat angles P-C4'-P energy: -78.157 tors. eta vs tors. theta energy: -17.696 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: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -728.907943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.907943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.907943 (E_RNA) where: Base-Base interactions energy: -301.180 where: short stacking energy: -199.579 Base-Backbone interact. energy: 6.710 local terms energy: -434.438411 where: bonds (distance) C4'-P energy: -136.701 bonds (distance) P-C4' energy: -141.315 flat angles C4'-P-C4' energy: -110.105 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: 18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2659.560769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.560769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.560769 (E_RNA) where: Base-Base interactions energy: -1805.846 where: short stacking energy: -790.957 Base-Backbone interact. energy: -1.493 local terms energy: -852.221178 where: bonds (distance) C4'-P energy: -159.539 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -179.236 flat angles P-C4'-P energy: -119.881 tors. eta vs tors. theta energy: -218.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2456.580369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.580369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.580369 (E_RNA) where: Base-Base interactions energy: -1648.363 where: short stacking energy: -726.309 Base-Backbone interact. energy: -3.137 local terms energy: -805.080522 where: bonds (distance) C4'-P energy: -145.690 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -175.299 flat angles P-C4'-P energy: -121.237 tors. eta vs tors. theta energy: -207.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2361.344479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.344479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.344479 (E_RNA) where: Base-Base interactions energy: -1578.476 where: short stacking energy: -693.317 Base-Backbone interact. energy: -3.571 local terms energy: -779.297140 where: bonds (distance) C4'-P energy: -153.594 bonds (distance) P-C4' energy: -162.326 flat angles C4'-P-C4' energy: -172.786 flat angles P-C4'-P energy: -105.626 tors. eta vs tors. theta energy: -184.966 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: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2171.407691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.407691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.407691 (E_RNA) where: Base-Base interactions energy: -1459.665 where: short stacking energy: -657.847 Base-Backbone interact. energy: 7.219 local terms energy: -718.961852 where: bonds (distance) C4'-P energy: -135.672 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -162.030 flat angles P-C4'-P energy: -105.768 tors. eta vs tors. theta energy: -172.697 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: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1840.706395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.706395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.706395 (E_RNA) where: Base-Base interactions energy: -1159.464 where: short stacking energy: -521.466 Base-Backbone interact. energy: -7.086 local terms energy: -674.156104 where: bonds (distance) C4'-P energy: -152.251 bonds (distance) P-C4' energy: -143.242 flat angles C4'-P-C4' energy: -163.221 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -111.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1730.435018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.435018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.435018 (E_RNA) where: Base-Base interactions energy: -1081.799 where: short stacking energy: -500.096 Base-Backbone interact. energy: -1.103 local terms energy: -647.533188 where: bonds (distance) C4'-P energy: -151.451 bonds (distance) P-C4' energy: -138.877 flat angles C4'-P-C4' energy: -149.686 flat angles P-C4'-P energy: -84.841 tors. eta vs tors. theta energy: -122.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1622.021836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.021836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.021836 (E_RNA) where: Base-Base interactions energy: -990.279 where: short stacking energy: -456.154 Base-Backbone interact. energy: -3.415 local terms energy: -628.327539 where: bonds (distance) C4'-P energy: -132.055 bonds (distance) P-C4' energy: -135.950 flat angles C4'-P-C4' energy: -151.546 flat angles P-C4'-P energy: -102.258 tors. eta vs tors. theta energy: -106.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1214.607122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.607122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.607122 (E_RNA) where: Base-Base interactions energy: -691.934 where: short stacking energy: -320.739 Base-Backbone interact. energy: -0.140 local terms energy: -522.533074 where: bonds (distance) C4'-P energy: -126.004 bonds (distance) P-C4' energy: -132.721 flat angles C4'-P-C4' energy: -141.689 flat angles P-C4'-P energy: -81.219 tors. eta vs tors. theta energy: -40.900 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: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -905.163862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.163862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.163862 (E_RNA) where: Base-Base interactions energy: -479.056 where: short stacking energy: -255.955 Base-Backbone interact. energy: 0.792 local terms energy: -426.899382 where: bonds (distance) C4'-P energy: -136.325 bonds (distance) P-C4' energy: -136.571 flat angles C4'-P-C4' energy: -113.789 flat angles P-C4'-P energy: -48.289 tors. eta vs tors. theta energy: 8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -793.988205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.988205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.988205 (E_RNA) where: Base-Base interactions energy: -392.011 where: short stacking energy: -242.777 Base-Backbone interact. energy: 3.884 local terms energy: -405.860450 where: bonds (distance) C4'-P energy: -123.525 bonds (distance) P-C4' energy: -155.965 flat angles C4'-P-C4' energy: -85.073 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: 21.091 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: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2707.775309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.775309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.775309 (E_RNA) where: Base-Base interactions energy: -1871.168 where: short stacking energy: -785.287 Base-Backbone interact. energy: -7.447 local terms energy: -829.160666 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -175.000 flat angles C4'-P-C4' energy: -190.080 flat angles P-C4'-P energy: -104.922 tors. eta vs tors. theta energy: -219.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2496.888081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.888081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.888081 (E_RNA) where: Base-Base interactions energy: -1715.950 where: short stacking energy: -718.466 Base-Backbone interact. energy: -1.326 local terms energy: -779.611999 where: bonds (distance) C4'-P energy: -150.399 bonds (distance) P-C4' energy: -159.466 flat angles C4'-P-C4' energy: -164.130 flat angles P-C4'-P energy: -99.841 tors. eta vs tors. theta energy: -205.777 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: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2429.203822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.203822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.203822 (E_RNA) where: Base-Base interactions energy: -1598.697 where: short stacking energy: -706.038 Base-Backbone interact. energy: -2.820 local terms energy: -827.686292 where: bonds (distance) C4'-P energy: -165.405 bonds (distance) P-C4' energy: -162.895 flat angles C4'-P-C4' energy: -171.540 flat angles P-C4'-P energy: -129.229 tors. eta vs tors. theta energy: -198.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2212.040851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.040851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.040851 (E_RNA) where: Base-Base interactions energy: -1455.444 where: short stacking energy: -666.137 Base-Backbone interact. energy: -0.514 local terms energy: -756.082276 where: bonds (distance) C4'-P energy: -141.925 bonds (distance) P-C4' energy: -150.185 flat angles C4'-P-C4' energy: -173.365 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -180.566 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: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1835.210912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.210912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.210912 (E_RNA) where: Base-Base interactions energy: -1155.584 where: short stacking energy: -526.644 Base-Backbone interact. energy: -4.451 local terms energy: -675.176359 where: bonds (distance) C4'-P energy: -149.535 bonds (distance) P-C4' energy: -147.608 flat angles C4'-P-C4' energy: -160.658 flat angles P-C4'-P energy: -100.123 tors. eta vs tors. theta energy: -117.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1772.083413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.083413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.083413 (E_RNA) where: Base-Base interactions energy: -1107.293 where: short stacking energy: -533.838 Base-Backbone interact. energy: 1.541 local terms energy: -666.331562 where: bonds (distance) C4'-P energy: -146.719 bonds (distance) P-C4' energy: -144.295 flat angles C4'-P-C4' energy: -176.722 flat angles P-C4'-P energy: -77.391 tors. eta vs tors. theta energy: -121.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1631.185279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.185279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.185279 (E_RNA) where: Base-Base interactions energy: -1020.875 where: short stacking energy: -457.052 Base-Backbone interact. energy: 1.702 local terms energy: -612.011766 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -137.141 flat angles C4'-P-C4' energy: -152.962 flat angles P-C4'-P energy: -90.750 tors. eta vs tors. theta energy: -92.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1179.596742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.596742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.596742 (E_RNA) where: Base-Base interactions energy: -678.362 where: short stacking energy: -324.187 Base-Backbone interact. energy: 2.502 local terms energy: -503.736680 where: bonds (distance) C4'-P energy: -122.725 bonds (distance) P-C4' energy: -140.960 flat angles C4'-P-C4' energy: -155.660 flat angles P-C4'-P energy: -50.776 tors. eta vs tors. theta energy: -33.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -926.443161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.443161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.443161 (E_RNA) where: Base-Base interactions energy: -462.621 where: short stacking energy: -257.651 Base-Backbone interact. energy: -3.193 local terms energy: -460.629168 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -133.649 flat angles C4'-P-C4' energy: -105.264 flat angles P-C4'-P energy: -75.148 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -766.766307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.766307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.766307 (E_RNA) where: Base-Base interactions energy: -330.382 where: short stacking energy: -218.518 Base-Backbone interact. energy: 2.583 local terms energy: -438.967484 where: bonds (distance) C4'-P energy: -131.316 bonds (distance) P-C4' energy: -129.415 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -74.917 tors. eta vs tors. theta energy: 15.712 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: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2711.209419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.209419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.209419 (E_RNA) where: Base-Base interactions energy: -1872.362 where: short stacking energy: -791.421 Base-Backbone interact. energy: -2.483 local terms energy: -836.364523 where: bonds (distance) C4'-P energy: -165.909 bonds (distance) P-C4' energy: -155.552 flat angles C4'-P-C4' energy: -183.064 flat angles P-C4'-P energy: -107.869 tors. eta vs tors. theta energy: -223.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2502.421110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.421110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.421110 (E_RNA) where: Base-Base interactions energy: -1675.356 where: short stacking energy: -745.454 Base-Backbone interact. energy: -2.048 local terms energy: -825.017017 where: bonds (distance) C4'-P energy: -163.080 bonds (distance) P-C4' energy: -156.468 flat angles C4'-P-C4' energy: -168.826 flat angles P-C4'-P energy: -122.071 tors. eta vs tors. theta energy: -214.572 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: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2402.670950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.670950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.670950 (E_RNA) where: Base-Base interactions energy: -1578.546 where: short stacking energy: -709.429 Base-Backbone interact. energy: -3.622 local terms energy: -820.503062 where: bonds (distance) C4'-P energy: -146.289 bonds (distance) P-C4' energy: -169.944 flat angles C4'-P-C4' energy: -177.910 flat angles P-C4'-P energy: -129.431 tors. eta vs tors. theta energy: -196.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2145.189996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.189996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.189996 (E_RNA) where: Base-Base interactions energy: -1409.998 where: short stacking energy: -621.002 Base-Backbone interact. energy: 3.156 local terms energy: -738.348380 where: bonds (distance) C4'-P energy: -152.741 bonds (distance) P-C4' energy: -165.609 flat angles C4'-P-C4' energy: -166.300 flat angles P-C4'-P energy: -92.318 tors. eta vs tors. theta energy: -161.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1858.697595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.697595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.697595 (E_RNA) where: Base-Base interactions energy: -1172.681 where: short stacking energy: -547.168 Base-Backbone interact. energy: 0.286 local terms energy: -686.302817 where: bonds (distance) C4'-P energy: -157.471 bonds (distance) P-C4' energy: -131.423 flat angles C4'-P-C4' energy: -162.961 flat angles P-C4'-P energy: -107.967 tors. eta vs tors. theta energy: -126.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1679.450439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.450439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.450439 (E_RNA) where: Base-Base interactions energy: -1056.618 where: short stacking energy: -479.241 Base-Backbone interact. energy: -2.079 local terms energy: -620.753643 where: bonds (distance) C4'-P energy: -156.688 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -146.308 flat angles P-C4'-P energy: -83.867 tors. eta vs tors. theta energy: -90.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1603.989462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.989462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.989462 (E_RNA) where: Base-Base interactions energy: -1023.545 where: short stacking energy: -455.121 Base-Backbone interact. energy: 5.826 local terms energy: -586.270730 where: bonds (distance) C4'-P energy: -130.601 bonds (distance) P-C4' energy: -144.877 flat angles C4'-P-C4' energy: -145.757 flat angles P-C4'-P energy: -83.229 tors. eta vs tors. theta energy: -81.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1087.950891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.950891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.950891 (E_RNA) where: Base-Base interactions energy: -565.808 where: short stacking energy: -299.656 Base-Backbone interact. energy: -4.715 local terms energy: -517.428638 where: bonds (distance) C4'-P energy: -128.715 bonds (distance) P-C4' energy: -139.211 flat angles C4'-P-C4' energy: -142.103 flat angles P-C4'-P energy: -67.184 tors. eta vs tors. theta energy: -40.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -961.510969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.510969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.510969 (E_RNA) where: Base-Base interactions energy: -481.396 where: short stacking energy: -270.583 Base-Backbone interact. energy: 2.571 local terms energy: -482.685459 where: bonds (distance) C4'-P energy: -119.454 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -130.085 flat angles P-C4'-P energy: -60.400 tors. eta vs tors. theta energy: -23.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -778.778305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.778305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.778305 (E_RNA) where: Base-Base interactions energy: -357.374 where: short stacking energy: -242.298 Base-Backbone interact. energy: 0.477 local terms energy: -421.881269 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -141.089 flat angles C4'-P-C4' energy: -114.971 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: 1.334 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: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2690.803290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.803290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.803290 (E_RNA) where: Base-Base interactions energy: -1830.129 where: short stacking energy: -789.048 Base-Backbone interact. energy: -9.514 local terms energy: -851.160588 where: bonds (distance) C4'-P energy: -153.015 bonds (distance) P-C4' energy: -163.936 flat angles C4'-P-C4' energy: -191.651 flat angles P-C4'-P energy: -113.080 tors. eta vs tors. theta energy: -229.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2515.075295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.075295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.075295 (E_RNA) where: Base-Base interactions energy: -1676.265 where: short stacking energy: -755.281 Base-Backbone interact. energy: -0.895 local terms energy: -837.914614 where: bonds (distance) C4'-P energy: -166.908 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -174.836 flat angles P-C4'-P energy: -122.451 tors. eta vs tors. theta energy: -209.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2385.146123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.146123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.146123 (E_RNA) where: Base-Base interactions energy: -1594.249 where: short stacking energy: -712.641 Base-Backbone interact. energy: 4.665 local terms energy: -795.561686 where: bonds (distance) C4'-P energy: -148.875 bonds (distance) P-C4' energy: -155.506 flat angles C4'-P-C4' energy: -176.539 flat angles P-C4'-P energy: -112.197 tors. eta vs tors. theta energy: -202.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2172.422403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.422403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.422403 (E_RNA) where: Base-Base interactions energy: -1429.770 where: short stacking energy: -644.631 Base-Backbone interact. energy: 3.238 local terms energy: -745.890960 where: bonds (distance) C4'-P energy: -149.792 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -176.219 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: -175.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1876.066946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.066946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.066946 (E_RNA) where: Base-Base interactions energy: -1205.308 where: short stacking energy: -548.111 Base-Backbone interact. energy: -7.526 local terms energy: -663.232562 where: bonds (distance) C4'-P energy: -153.427 bonds (distance) P-C4' energy: -143.629 flat angles C4'-P-C4' energy: -150.309 flat angles P-C4'-P energy: -87.276 tors. eta vs tors. theta energy: -128.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1641.901407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.901407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.901407 (E_RNA) where: Base-Base interactions energy: -1010.416 where: short stacking energy: -452.718 Base-Backbone interact. energy: 2.235 local terms energy: -633.720463 where: bonds (distance) C4'-P energy: -148.484 bonds (distance) P-C4' energy: -138.343 flat angles C4'-P-C4' energy: -131.092 flat angles P-C4'-P energy: -107.232 tors. eta vs tors. theta energy: -108.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1654.772877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.772877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.772877 (E_RNA) where: Base-Base interactions energy: -1053.924 where: short stacking energy: -493.433 Base-Backbone interact. energy: -2.990 local terms energy: -597.858844 where: bonds (distance) C4'-P energy: -134.105 bonds (distance) P-C4' energy: -134.267 flat angles C4'-P-C4' energy: -149.383 flat angles P-C4'-P energy: -71.469 tors. eta vs tors. theta energy: -108.634 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: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1087.829360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.829360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.829360 (E_RNA) where: Base-Base interactions energy: -550.958 where: short stacking energy: -296.432 Base-Backbone interact. energy: -0.541 local terms energy: -536.329906 where: bonds (distance) C4'-P energy: -153.459 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -135.952 flat angles P-C4'-P energy: -65.310 tors. eta vs tors. theta energy: -31.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -871.431187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.431187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.431187 (E_RNA) where: Base-Base interactions energy: -368.211 where: short stacking energy: -224.507 Base-Backbone interact. energy: 0.920 local terms energy: -504.140673 where: bonds (distance) C4'-P energy: -159.833 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -136.437 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -771.811025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.811025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.811025 (E_RNA) where: Base-Base interactions energy: -312.864 where: short stacking energy: -195.296 Base-Backbone interact. energy: -0.060 local terms energy: -458.886309 where: bonds (distance) C4'-P energy: -124.664 bonds (distance) P-C4' energy: -144.562 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: 13.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2706.953967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.953967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.953967 (E_RNA) where: Base-Base interactions energy: -1865.435 where: short stacking energy: -787.854 Base-Backbone interact. energy: -0.355 local terms energy: -841.163951 where: bonds (distance) C4'-P energy: -148.671 bonds (distance) P-C4' energy: -162.718 flat angles C4'-P-C4' energy: -187.590 flat angles P-C4'-P energy: -127.533 tors. eta vs tors. theta energy: -214.651 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: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2493.423631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.423631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.423631 (E_RNA) where: Base-Base interactions energy: -1696.520 where: short stacking energy: -724.759 Base-Backbone interact. energy: -0.153 local terms energy: -796.750647 where: bonds (distance) C4'-P energy: -158.094 bonds (distance) P-C4' energy: -163.321 flat angles C4'-P-C4' energy: -174.908 flat angles P-C4'-P energy: -104.595 tors. eta vs tors. theta energy: -195.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2400.514150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.514150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.514150 (E_RNA) where: Base-Base interactions energy: -1608.357 where: short stacking energy: -724.190 Base-Backbone interact. energy: -1.966 local terms energy: -790.191124 where: bonds (distance) C4'-P energy: -153.568 bonds (distance) P-C4' energy: -167.442 flat angles C4'-P-C4' energy: -155.330 flat angles P-C4'-P energy: -115.143 tors. eta vs tors. theta energy: -198.707 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: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2186.634831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.634831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.634831 (E_RNA) where: Base-Base interactions energy: -1449.559 where: short stacking energy: -661.582 Base-Backbone interact. energy: -5.295 local terms energy: -731.781206 where: bonds (distance) C4'-P energy: -141.306 bonds (distance) P-C4' energy: -158.326 flat angles C4'-P-C4' energy: -162.188 flat angles P-C4'-P energy: -96.474 tors. eta vs tors. theta energy: -173.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1855.393283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.393283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.393283 (E_RNA) where: Base-Base interactions energy: -1156.187 where: short stacking energy: -548.057 Base-Backbone interact. energy: -6.726 local terms energy: -692.480515 where: bonds (distance) C4'-P energy: -130.928 bonds (distance) P-C4' energy: -146.139 flat angles C4'-P-C4' energy: -164.780 flat angles P-C4'-P energy: -111.503 tors. eta vs tors. theta energy: -139.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1620.942817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.942817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.942817 (E_RNA) where: Base-Base interactions energy: -993.082 where: short stacking energy: -495.501 Base-Backbone interact. energy: -1.281 local terms energy: -626.579563 where: bonds (distance) C4'-P energy: -134.627 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -139.059 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -122.596 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1614.606479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.606479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.606479 (E_RNA) where: Base-Base interactions energy: -1012.520 where: short stacking energy: -436.135 Base-Backbone interact. energy: -1.839 local terms energy: -600.247413 where: bonds (distance) C4'-P energy: -128.687 bonds (distance) P-C4' energy: -131.572 flat angles C4'-P-C4' energy: -175.183 flat angles P-C4'-P energy: -91.551 tors. eta vs tors. theta energy: -73.254 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: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1140.270001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.270001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.270001 (E_RNA) where: Base-Base interactions energy: -613.233 where: short stacking energy: -311.396 Base-Backbone interact. energy: -3.413 local terms energy: -523.623903 where: bonds (distance) C4'-P energy: -127.151 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -129.546 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -22.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -864.068975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.068975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.068975 (E_RNA) where: Base-Base interactions energy: -459.941 where: short stacking energy: -278.923 Base-Backbone interact. energy: -2.752 local terms energy: -401.376245 where: bonds (distance) C4'-P energy: -122.273 bonds (distance) P-C4' energy: -108.418 flat angles C4'-P-C4' energy: -133.248 flat angles P-C4'-P energy: -47.587 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: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -710.819368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.819368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.819368 (E_RNA) where: Base-Base interactions energy: -333.581 where: short stacking energy: -249.836 Base-Backbone interact. energy: 0.434 local terms energy: -377.672930 where: bonds (distance) C4'-P energy: -107.106 bonds (distance) P-C4' energy: -122.109 flat angles C4'-P-C4' energy: -106.087 flat angles P-C4'-P energy: -63.642 tors. eta vs tors. theta energy: 21.271 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: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2717.927650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.927650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.927650 (E_RNA) where: Base-Base interactions energy: -1876.152 where: short stacking energy: -776.085 Base-Backbone interact. energy: -7.258 local terms energy: -834.517663 where: bonds (distance) C4'-P energy: -153.533 bonds (distance) P-C4' energy: -159.916 flat angles C4'-P-C4' energy: -188.126 flat angles P-C4'-P energy: -118.220 tors. eta vs tors. theta energy: -214.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2508.866350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.866350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.866350 (E_RNA) where: Base-Base interactions energy: -1693.620 where: short stacking energy: -733.312 Base-Backbone interact. energy: -1.367 local terms energy: -813.879146 where: bonds (distance) C4'-P energy: -152.251 bonds (distance) P-C4' energy: -174.444 flat angles C4'-P-C4' energy: -181.171 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -211.179 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: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2360.093102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.093102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.093102 (E_RNA) where: Base-Base interactions energy: -1580.171 where: short stacking energy: -713.978 Base-Backbone interact. energy: 4.148 local terms energy: -784.069635 where: bonds (distance) C4'-P energy: -152.205 bonds (distance) P-C4' energy: -152.390 flat angles C4'-P-C4' energy: -176.823 flat angles P-C4'-P energy: -114.563 tors. eta vs tors. theta energy: -188.088 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: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2178.467218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.467218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.467218 (E_RNA) where: Base-Base interactions energy: -1444.797 where: short stacking energy: -629.814 Base-Backbone interact. energy: -1.791 local terms energy: -731.878382 where: bonds (distance) C4'-P energy: -149.546 bonds (distance) P-C4' energy: -152.435 flat angles C4'-P-C4' energy: -166.532 flat angles P-C4'-P energy: -97.266 tors. eta vs tors. theta energy: -166.098 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: 57 Temperature: 1.100000 Total energy: -1866.599665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.599665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.599665 (E_RNA) where: Base-Base interactions energy: -1211.247 where: short stacking energy: -566.205 Base-Backbone interact. energy: 1.418 local terms energy: -656.770454 where: bonds (distance) C4'-P energy: -128.814 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -159.800 flat angles P-C4'-P energy: -95.718 tors. eta vs tors. theta energy: -119.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1659.453149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.453149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.453149 (E_RNA) where: Base-Base interactions energy: -1042.456 where: short stacking energy: -499.572 Base-Backbone interact. energy: 0.383 local terms energy: -617.380187 where: bonds (distance) C4'-P energy: -133.282 bonds (distance) P-C4' energy: -148.927 flat angles C4'-P-C4' energy: -152.644 flat angles P-C4'-P energy: -78.221 tors. eta vs tors. theta energy: -104.306 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: 57 Temperature: 1.200000 Total energy: -1641.920844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.920844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.920844 (E_RNA) where: Base-Base interactions energy: -1024.572 where: short stacking energy: -463.892 Base-Backbone interact. energy: -1.123 local terms energy: -616.226278 where: bonds (distance) C4'-P energy: -125.893 bonds (distance) P-C4' energy: -165.757 flat angles C4'-P-C4' energy: -124.083 flat angles P-C4'-P energy: -105.387 tors. eta vs tors. theta energy: -95.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1125.690681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.690681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.690681 (E_RNA) where: Base-Base interactions energy: -604.039 where: short stacking energy: -336.383 Base-Backbone interact. energy: 0.528 local terms energy: -522.179454 where: bonds (distance) C4'-P energy: -137.151 bonds (distance) P-C4' energy: -127.856 flat angles C4'-P-C4' energy: -138.120 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -34.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -857.634035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.634035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.634035 (E_RNA) where: Base-Base interactions energy: -395.210 where: short stacking energy: -255.376 Base-Backbone interact. energy: 1.697 local terms energy: -464.120629 where: bonds (distance) C4'-P energy: -141.409 bonds (distance) P-C4' energy: -135.330 flat angles C4'-P-C4' energy: -131.474 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: 15.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -717.974759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.974759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.974759 (E_RNA) where: Base-Base interactions energy: -316.412 where: short stacking energy: -192.363 Base-Backbone interact. energy: 9.021 local terms energy: -410.584063 where: bonds (distance) C4'-P energy: -136.285 bonds (distance) P-C4' energy: -132.029 flat angles C4'-P-C4' energy: -103.403 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: 14.453 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: 58 Temperature: 0.900000 Total energy: -2702.577260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.577260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.577260 (E_RNA) where: Base-Base interactions energy: -1895.781 where: short stacking energy: -798.547 Base-Backbone interact. energy: -2.094 local terms energy: -804.702133 where: bonds (distance) C4'-P energy: -141.245 bonds (distance) P-C4' energy: -155.075 flat angles C4'-P-C4' energy: -177.657 flat angles P-C4'-P energy: -108.650 tors. eta vs tors. theta energy: -222.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2529.261419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.261419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.261419 (E_RNA) where: Base-Base interactions energy: -1690.030 where: short stacking energy: -744.383 Base-Backbone interact. energy: -6.040 local terms energy: -833.191168 where: bonds (distance) C4'-P energy: -168.494 bonds (distance) P-C4' energy: -161.855 flat angles C4'-P-C4' energy: -181.788 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -223.220 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2360.642535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.642535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.642535 (E_RNA) where: Base-Base interactions energy: -1597.969 where: short stacking energy: -699.583 Base-Backbone interact. energy: -1.320 local terms energy: -761.353597 where: bonds (distance) C4'-P energy: -151.965 bonds (distance) P-C4' energy: -165.835 flat angles C4'-P-C4' energy: -154.750 flat angles P-C4'-P energy: -103.889 tors. eta vs tors. theta energy: -184.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2233.530362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.530362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.530362 (E_RNA) where: Base-Base interactions energy: -1463.407 where: short stacking energy: -697.129 Base-Backbone interact. energy: -0.460 local terms energy: -769.663184 where: bonds (distance) C4'-P energy: -141.584 bonds (distance) P-C4' energy: -158.542 flat angles C4'-P-C4' energy: -171.834 flat angles P-C4'-P energy: -104.097 tors. eta vs tors. theta energy: -193.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1917.954448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.954448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.954448 (E_RNA) where: Base-Base interactions energy: -1237.981 where: short stacking energy: -551.466 Base-Backbone interact. energy: 3.349 local terms energy: -683.322349 where: bonds (distance) C4'-P energy: -137.504 bonds (distance) P-C4' energy: -166.596 flat angles C4'-P-C4' energy: -159.748 flat angles P-C4'-P energy: -103.498 tors. eta vs tors. theta energy: -115.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1705.343461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.343461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.343461 (E_RNA) where: Base-Base interactions energy: -1041.251 where: short stacking energy: -501.848 Base-Backbone interact. energy: 7.015 local terms energy: -671.107528 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -144.970 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -99.850 tors. eta vs tors. theta energy: -124.776 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: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1588.504973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.504973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.504973 (E_RNA) where: Base-Base interactions energy: -962.511 where: short stacking energy: -436.849 Base-Backbone interact. energy: -3.427 local terms energy: -622.567241 where: bonds (distance) C4'-P energy: -154.395 bonds (distance) P-C4' energy: -152.755 flat angles C4'-P-C4' energy: -137.234 flat angles P-C4'-P energy: -90.768 tors. eta vs tors. theta energy: -87.415 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: 58 Temperature: 1.250000 Total energy: -1139.580955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.580955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.580955 (E_RNA) where: Base-Base interactions energy: -606.181 where: short stacking energy: -327.975 Base-Backbone interact. energy: 1.993 local terms energy: -535.392561 where: bonds (distance) C4'-P energy: -123.079 bonds (distance) P-C4' energy: -134.878 flat angles C4'-P-C4' energy: -137.253 flat angles P-C4'-P energy: -107.927 tors. eta vs tors. theta energy: -32.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -859.231003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.231003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.231003 (E_RNA) where: Base-Base interactions energy: -411.130 where: short stacking energy: -250.247 Base-Backbone interact. energy: 1.378 local terms energy: -449.478224 where: bonds (distance) C4'-P energy: -159.917 bonds (distance) P-C4' energy: -128.300 flat angles C4'-P-C4' energy: -114.614 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: 18.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -748.373684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.373684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.373684 (E_RNA) where: Base-Base interactions energy: -317.806 where: short stacking energy: -200.982 Base-Backbone interact. energy: -0.079 local terms energy: -430.488241 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -151.521 flat angles C4'-P-C4' energy: -117.992 flat angles P-C4'-P energy: -59.408 tors. eta vs tors. theta energy: 20.087 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: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2720.655593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.655593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.655593 (E_RNA) where: Base-Base interactions energy: -1858.022 where: short stacking energy: -796.635 Base-Backbone interact. energy: -3.174 local terms energy: -859.459540 where: bonds (distance) C4'-P energy: -161.178 bonds (distance) P-C4' energy: -170.772 flat angles C4'-P-C4' energy: -174.508 flat angles P-C4'-P energy: -125.975 tors. eta vs tors. theta energy: -227.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2467.260417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.260417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.260417 (E_RNA) where: Base-Base interactions energy: -1631.949 where: short stacking energy: -714.782 Base-Backbone interact. energy: -4.117 local terms energy: -831.195288 where: bonds (distance) C4'-P energy: -164.747 bonds (distance) P-C4' energy: -167.994 flat angles C4'-P-C4' energy: -168.649 flat angles P-C4'-P energy: -124.643 tors. eta vs tors. theta energy: -205.162 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: 59 Temperature: 1.000000 Total energy: -2383.600450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.600450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.600450 (E_RNA) where: Base-Base interactions energy: -1611.563 where: short stacking energy: -709.283 Base-Backbone interact. energy: -3.991 local terms energy: -768.045893 where: bonds (distance) C4'-P energy: -147.761 bonds (distance) P-C4' energy: -154.413 flat angles C4'-P-C4' energy: -175.418 flat angles P-C4'-P energy: -101.689 tors. eta vs tors. theta energy: -188.766 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: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2239.960964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.960964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.960964 (E_RNA) where: Base-Base interactions energy: -1493.349 where: short stacking energy: -670.988 Base-Backbone interact. energy: -2.235 local terms energy: -744.376942 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -155.109 flat angles C4'-P-C4' energy: -168.134 flat angles P-C4'-P energy: -96.479 tors. eta vs tors. theta energy: -179.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1949.292649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.292649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.292649 (E_RNA) where: Base-Base interactions energy: -1254.644 where: short stacking energy: -522.563 Base-Backbone interact. energy: 3.084 local terms energy: -697.733482 where: bonds (distance) C4'-P energy: -154.685 bonds (distance) P-C4' energy: -148.465 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -98.925 tors. eta vs tors. theta energy: -135.806 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: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1689.552340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.552340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.552340 (E_RNA) where: Base-Base interactions energy: -1041.839 where: short stacking energy: -505.771 Base-Backbone interact. energy: 0.155 local terms energy: -647.868085 where: bonds (distance) C4'-P energy: -140.808 bonds (distance) P-C4' energy: -155.955 flat angles C4'-P-C4' energy: -157.668 flat angles P-C4'-P energy: -69.856 tors. eta vs tors. theta energy: -123.580 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: 59 Temperature: 1.200000 Total energy: -1632.114922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.114922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.114922 (E_RNA) where: Base-Base interactions energy: -1024.160 where: short stacking energy: -460.158 Base-Backbone interact. energy: -0.627 local terms energy: -607.328021 where: bonds (distance) C4'-P energy: -136.940 bonds (distance) P-C4' energy: -153.492 flat angles C4'-P-C4' energy: -129.766 flat angles P-C4'-P energy: -103.562 tors. eta vs tors. theta energy: -83.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1197.028783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.028783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.028783 (E_RNA) where: Base-Base interactions energy: -668.308 where: short stacking energy: -333.802 Base-Backbone interact. energy: -0.837 local terms energy: -527.884262 where: bonds (distance) C4'-P energy: -130.442 bonds (distance) P-C4' energy: -148.734 flat angles C4'-P-C4' energy: -135.622 flat angles P-C4'-P energy: -64.454 tors. eta vs tors. theta energy: -48.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -922.911928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.911928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.911928 (E_RNA) where: Base-Base interactions energy: -454.755 where: short stacking energy: -258.904 Base-Backbone interact. energy: 5.213 local terms energy: -473.369976 where: bonds (distance) C4'-P energy: -141.539 bonds (distance) P-C4' energy: -112.738 flat angles C4'-P-C4' energy: -110.380 flat angles P-C4'-P energy: -86.252 tors. eta vs tors. theta energy: -22.462 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: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -778.131951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.131951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.131951 (E_RNA) where: Base-Base interactions energy: -360.149 where: short stacking energy: -216.410 Base-Backbone interact. energy: 6.173 local terms energy: -424.156017 where: bonds (distance) C4'-P energy: -129.675 bonds (distance) P-C4' energy: -134.766 flat angles C4'-P-C4' energy: -118.923 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: 32.336 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: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2717.266937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.266937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.266937 (E_RNA) where: Base-Base interactions energy: -1851.657 where: short stacking energy: -783.012 Base-Backbone interact. energy: -3.764 local terms energy: -861.845505 where: bonds (distance) C4'-P energy: -170.285 bonds (distance) P-C4' energy: -171.282 flat angles C4'-P-C4' energy: -181.334 flat angles P-C4'-P energy: -119.152 tors. eta vs tors. theta energy: -219.792 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: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2473.057053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.057053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.057053 (E_RNA) where: Base-Base interactions energy: -1668.424 where: short stacking energy: -725.399 Base-Backbone interact. energy: -4.278 local terms energy: -800.355128 where: bonds (distance) C4'-P energy: -165.811 bonds (distance) P-C4' energy: -160.244 flat angles C4'-P-C4' energy: -176.346 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -195.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2412.469279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.469279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.469279 (E_RNA) where: Base-Base interactions energy: -1627.432 where: short stacking energy: -750.183 Base-Backbone interact. energy: -4.756 local terms energy: -780.281234 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -186.658 flat angles P-C4'-P energy: -114.380 tors. eta vs tors. theta energy: -191.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2334.601055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.601055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.601055 (E_RNA) where: Base-Base interactions energy: -1518.974 where: short stacking energy: -704.664 Base-Backbone interact. energy: -0.659 local terms energy: -814.968461 where: bonds (distance) C4'-P energy: -148.066 bonds (distance) P-C4' energy: -177.205 flat angles C4'-P-C4' energy: -174.939 flat angles P-C4'-P energy: -110.373 tors. eta vs tors. theta energy: -204.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1980.842252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.842252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.842252 (E_RNA) where: Base-Base interactions energy: -1285.889 where: short stacking energy: -558.678 Base-Backbone interact. energy: -4.205 local terms energy: -690.748619 where: bonds (distance) C4'-P energy: -167.243 bonds (distance) P-C4' energy: -141.681 flat angles C4'-P-C4' energy: -153.677 flat angles P-C4'-P energy: -84.328 tors. eta vs tors. theta energy: -143.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1702.257329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.257329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.257329 (E_RNA) where: Base-Base interactions energy: -1054.527 where: short stacking energy: -511.312 Base-Backbone interact. energy: -2.898 local terms energy: -644.832430 where: bonds (distance) C4'-P energy: -136.731 bonds (distance) P-C4' energy: -136.916 flat angles C4'-P-C4' energy: -155.506 flat angles P-C4'-P energy: -93.115 tors. eta vs tors. theta energy: -122.564 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: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1611.336496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.336496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.336496 (E_RNA) where: Base-Base interactions energy: -1034.648 where: short stacking energy: -480.419 Base-Backbone interact. energy: -1.392 local terms energy: -575.296557 where: bonds (distance) C4'-P energy: -123.518 bonds (distance) P-C4' energy: -153.581 flat angles C4'-P-C4' energy: -142.420 flat angles P-C4'-P energy: -76.633 tors. eta vs tors. theta energy: -79.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1145.411802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.411802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.411802 (E_RNA) where: Base-Base interactions energy: -620.713 where: short stacking energy: -344.191 Base-Backbone interact. energy: -1.604 local terms energy: -523.094819 where: bonds (distance) C4'-P energy: -134.579 bonds (distance) P-C4' energy: -140.133 flat angles C4'-P-C4' energy: -149.284 flat angles P-C4'-P energy: -63.970 tors. eta vs tors. theta energy: -35.130 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: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -931.741900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.741900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.741900 (E_RNA) where: Base-Base interactions energy: -466.538 where: short stacking energy: -252.677 Base-Backbone interact. energy: 2.579 local terms energy: -467.783510 where: bonds (distance) C4'-P energy: -139.532 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -121.121 flat angles P-C4'-P energy: -68.910 tors. eta vs tors. theta energy: 5.752 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: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -727.249745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.249745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.249745 (E_RNA) where: Base-Base interactions energy: -325.830 where: short stacking energy: -187.492 Base-Backbone interact. energy: 8.559 local terms energy: -409.978148 where: bonds (distance) C4'-P energy: -131.362 bonds (distance) P-C4' energy: -136.165 flat angles C4'-P-C4' energy: -101.711 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: 20.730 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: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2719.709939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.709939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.709939 (E_RNA) where: Base-Base interactions energy: -1856.483 where: short stacking energy: -778.196 Base-Backbone interact. energy: 0.806 local terms energy: -864.032848 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -169.071 flat angles C4'-P-C4' energy: -184.808 flat angles P-C4'-P energy: -128.525 tors. eta vs tors. theta energy: -231.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2474.368627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.368627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.368627 (E_RNA) where: Base-Base interactions energy: -1675.912 where: short stacking energy: -722.702 Base-Backbone interact. energy: -2.417 local terms energy: -796.038977 where: bonds (distance) C4'-P energy: -159.697 bonds (distance) P-C4' energy: -153.545 flat angles C4'-P-C4' energy: -168.745 flat angles P-C4'-P energy: -121.507 tors. eta vs tors. theta energy: -192.544 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: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2392.538511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.538511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.538511 (E_RNA) where: Base-Base interactions energy: -1594.383 where: short stacking energy: -679.922 Base-Backbone interact. energy: -6.373 local terms energy: -791.783032 where: bonds (distance) C4'-P energy: -154.009 bonds (distance) P-C4' energy: -166.197 flat angles C4'-P-C4' energy: -175.757 flat angles P-C4'-P energy: -112.168 tors. eta vs tors. theta energy: -183.651 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: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2309.248000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.248000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.248000 (E_RNA) where: Base-Base interactions energy: -1539.522 where: short stacking energy: -716.374 Base-Backbone interact. energy: 0.653 local terms energy: -770.378893 where: bonds (distance) C4'-P energy: -154.372 bonds (distance) P-C4' energy: -164.608 flat angles C4'-P-C4' energy: -170.891 flat angles P-C4'-P energy: -82.413 tors. eta vs tors. theta energy: -198.095 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: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2047.544117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.544117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.544117 (E_RNA) where: Base-Base interactions energy: -1369.952 where: short stacking energy: -595.565 Base-Backbone interact. energy: -3.306 local terms energy: -674.286001 where: bonds (distance) C4'-P energy: -128.962 bonds (distance) P-C4' energy: -143.584 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -97.239 tors. eta vs tors. theta energy: -145.426 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1826.044526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.044526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.044526 (E_RNA) where: Base-Base interactions energy: -1184.609 where: short stacking energy: -527.520 Base-Backbone interact. energy: -3.487 local terms energy: -637.949138 where: bonds (distance) C4'-P energy: -153.552 bonds (distance) P-C4' energy: -135.527 flat angles C4'-P-C4' energy: -140.342 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -124.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1614.541226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.541226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.541226 (E_RNA) where: Base-Base interactions energy: -987.547 where: short stacking energy: -513.413 Base-Backbone interact. energy: 4.477 local terms energy: -631.471315 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -142.731 flat angles C4'-P-C4' energy: -155.834 flat angles P-C4'-P energy: -77.652 tors. eta vs tors. theta energy: -105.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1134.416283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.416283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.416283 (E_RNA) where: Base-Base interactions energy: -623.271 where: short stacking energy: -325.289 Base-Backbone interact. energy: -4.426 local terms energy: -506.719315 where: bonds (distance) C4'-P energy: -136.717 bonds (distance) P-C4' energy: -143.840 flat angles C4'-P-C4' energy: -124.403 flat angles P-C4'-P energy: -75.047 tors. eta vs tors. theta energy: -26.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -999.607736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.607736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.607736 (E_RNA) where: Base-Base interactions energy: -519.939 where: short stacking energy: -300.993 Base-Backbone interact. energy: 1.357 local terms energy: -481.025860 where: bonds (distance) C4'-P energy: -126.064 bonds (distance) P-C4' energy: -139.875 flat angles C4'-P-C4' energy: -119.117 flat angles P-C4'-P energy: -74.788 tors. eta vs tors. theta energy: -21.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -741.664563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.664563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.664563 (E_RNA) where: Base-Base interactions energy: -318.497 where: short stacking energy: -205.284 Base-Backbone interact. energy: 1.488 local terms energy: -424.655728 where: bonds (distance) C4'-P energy: -122.739 bonds (distance) P-C4' energy: -151.544 flat angles C4'-P-C4' energy: -101.219 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: 31.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2757.945074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.945074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.945074 (E_RNA) where: Base-Base interactions energy: -1897.083 where: short stacking energy: -784.082 Base-Backbone interact. energy: -0.630 local terms energy: -860.232785 where: bonds (distance) C4'-P energy: -180.047 bonds (distance) P-C4' energy: -167.636 flat angles C4'-P-C4' energy: -172.147 flat angles P-C4'-P energy: -119.876 tors. eta vs tors. theta energy: -220.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2443.150937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.150937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.150937 (E_RNA) where: Base-Base interactions energy: -1633.479 where: short stacking energy: -730.701 Base-Backbone interact. energy: 0.808 local terms energy: -810.479684 where: bonds (distance) C4'-P energy: -154.456 bonds (distance) P-C4' energy: -163.981 flat angles C4'-P-C4' energy: -164.902 flat angles P-C4'-P energy: -116.957 tors. eta vs tors. theta energy: -210.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2398.915389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.915389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.915389 (E_RNA) where: Base-Base interactions energy: -1613.000 where: short stacking energy: -704.879 Base-Backbone interact. energy: 2.971 local terms energy: -788.886503 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -157.568 flat angles C4'-P-C4' energy: -187.022 flat angles P-C4'-P energy: -108.734 tors. eta vs tors. theta energy: -189.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2259.599403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.599403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.599403 (E_RNA) where: Base-Base interactions energy: -1487.422 where: short stacking energy: -681.868 Base-Backbone interact. energy: 4.374 local terms energy: -776.550725 where: bonds (distance) C4'-P energy: -153.369 bonds (distance) P-C4' energy: -161.513 flat angles C4'-P-C4' energy: -171.555 flat angles P-C4'-P energy: -109.937 tors. eta vs tors. theta energy: -180.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2014.652843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.652843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.652843 (E_RNA) where: Base-Base interactions energy: -1308.367 where: short stacking energy: -562.324 Base-Backbone interact. energy: 5.890 local terms energy: -712.175871 where: bonds (distance) C4'-P energy: -144.920 bonds (distance) P-C4' energy: -165.010 flat angles C4'-P-C4' energy: -158.784 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -144.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1843.153777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.153777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.153777 (E_RNA) where: Base-Base interactions energy: -1216.778 where: short stacking energy: -545.547 Base-Backbone interact. energy: 0.651 local terms energy: -627.026612 where: bonds (distance) C4'-P energy: -122.090 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -153.198 flat angles P-C4'-P energy: -97.341 tors. eta vs tors. theta energy: -113.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1514.321266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.321266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.321266 (E_RNA) where: Base-Base interactions energy: -877.518 where: short stacking energy: -419.284 Base-Backbone interact. energy: -3.013 local terms energy: -633.789370 where: bonds (distance) C4'-P energy: -143.399 bonds (distance) P-C4' energy: -154.913 flat angles C4'-P-C4' energy: -145.767 flat angles P-C4'-P energy: -101.060 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: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1095.667373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.667373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.667373 (E_RNA) where: Base-Base interactions energy: -592.550 where: short stacking energy: -324.563 Base-Backbone interact. energy: -3.428 local terms energy: -499.689333 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -129.768 flat angles P-C4'-P energy: -84.844 tors. eta vs tors. theta energy: -15.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -892.984358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.984358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.984358 (E_RNA) where: Base-Base interactions energy: -431.050 where: short stacking energy: -256.581 Base-Backbone interact. energy: -2.122 local terms energy: -459.811755 where: bonds (distance) C4'-P energy: -117.510 bonds (distance) P-C4' energy: -146.734 flat angles C4'-P-C4' energy: -118.358 flat angles P-C4'-P energy: -72.583 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -758.818209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.818209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.818209 (E_RNA) where: Base-Base interactions energy: -343.493 where: short stacking energy: -215.891 Base-Backbone interact. energy: 4.336 local terms energy: -419.661894 where: bonds (distance) C4'-P energy: -118.154 bonds (distance) P-C4' energy: -123.577 flat angles C4'-P-C4' energy: -107.854 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: 6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2714.135869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.135869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.135869 (E_RNA) where: Base-Base interactions energy: -1864.910 where: short stacking energy: -788.465 Base-Backbone interact. energy: -5.504 local terms energy: -843.721492 where: bonds (distance) C4'-P energy: -150.351 bonds (distance) P-C4' energy: -154.201 flat angles C4'-P-C4' energy: -184.678 flat angles P-C4'-P energy: -121.869 tors. eta vs tors. theta energy: -232.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2487.480411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.480411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.480411 (E_RNA) where: Base-Base interactions energy: -1699.470 where: short stacking energy: -747.594 Base-Backbone interact. energy: -0.491 local terms energy: -787.519126 where: bonds (distance) C4'-P energy: -150.792 bonds (distance) P-C4' energy: -154.613 flat angles C4'-P-C4' energy: -184.053 flat angles P-C4'-P energy: -108.811 tors. eta vs tors. theta energy: -189.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2418.574521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.574521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.574521 (E_RNA) where: Base-Base interactions energy: -1610.616 where: short stacking energy: -709.866 Base-Backbone interact. energy: -1.566 local terms energy: -806.393014 where: bonds (distance) C4'-P energy: -147.904 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -184.087 flat angles P-C4'-P energy: -117.611 tors. eta vs tors. theta energy: -199.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2279.574802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.574802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.574802 (E_RNA) where: Base-Base interactions energy: -1464.340 where: short stacking energy: -665.695 Base-Backbone interact. energy: -4.679 local terms energy: -810.555581 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -163.257 flat angles C4'-P-C4' energy: -175.490 flat angles P-C4'-P energy: -130.662 tors. eta vs tors. theta energy: -197.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2006.236534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.236534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.236534 (E_RNA) where: Base-Base interactions energy: -1274.482 where: short stacking energy: -571.584 Base-Backbone interact. energy: -0.712 local terms energy: -731.043254 where: bonds (distance) C4'-P energy: -154.022 bonds (distance) P-C4' energy: -171.392 flat angles C4'-P-C4' energy: -155.665 flat angles P-C4'-P energy: -99.649 tors. eta vs tors. theta energy: -150.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1825.093366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.093366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.093366 (E_RNA) where: Base-Base interactions energy: -1161.995 where: short stacking energy: -529.442 Base-Backbone interact. energy: -0.087 local terms energy: -663.011175 where: bonds (distance) C4'-P energy: -132.430 bonds (distance) P-C4' energy: -146.365 flat angles C4'-P-C4' energy: -141.180 flat angles P-C4'-P energy: -105.552 tors. eta vs tors. theta energy: -137.484 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: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1446.792142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.792142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.792142 (E_RNA) where: Base-Base interactions energy: -832.249 where: short stacking energy: -434.217 Base-Backbone interact. energy: -1.493 local terms energy: -613.050158 where: bonds (distance) C4'-P energy: -140.235 bonds (distance) P-C4' energy: -137.463 flat angles C4'-P-C4' energy: -151.751 flat angles P-C4'-P energy: -94.920 tors. eta vs tors. theta energy: -88.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1084.845957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.845957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.845957 (E_RNA) where: Base-Base interactions energy: -602.906 where: short stacking energy: -336.229 Base-Backbone interact. energy: -2.295 local terms energy: -479.645032 where: bonds (distance) C4'-P energy: -122.511 bonds (distance) P-C4' energy: -153.495 flat angles C4'-P-C4' energy: -122.148 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -8.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -931.739568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.739568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.739568 (E_RNA) where: Base-Base interactions energy: -464.685 where: short stacking energy: -254.290 Base-Backbone interact. energy: -1.583 local terms energy: -465.471722 where: bonds (distance) C4'-P energy: -125.679 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -73.493 tors. eta vs tors. theta energy: 1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -788.415107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.415107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.415107 (E_RNA) where: Base-Base interactions energy: -323.576 where: short stacking energy: -231.062 Base-Backbone interact. energy: -3.020 local terms energy: -461.819267 where: bonds (distance) C4'-P energy: -146.000 bonds (distance) P-C4' energy: -130.677 flat angles C4'-P-C4' energy: -120.693 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2745.654166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.654166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.654166 (E_RNA) where: Base-Base interactions energy: -1897.985 where: short stacking energy: -809.067 Base-Backbone interact. energy: -5.320 local terms energy: -842.349465 where: bonds (distance) C4'-P energy: -165.011 bonds (distance) P-C4' energy: -160.492 flat angles C4'-P-C4' energy: -173.892 flat angles P-C4'-P energy: -114.902 tors. eta vs tors. theta energy: -228.053 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: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2536.787570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.787570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.787570 (E_RNA) where: Base-Base interactions energy: -1724.888 where: short stacking energy: -734.874 Base-Backbone interact. energy: -1.410 local terms energy: -810.488835 where: bonds (distance) C4'-P energy: -146.084 bonds (distance) P-C4' energy: -144.129 flat angles C4'-P-C4' energy: -189.126 flat angles P-C4'-P energy: -133.152 tors. eta vs tors. theta energy: -197.999 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2449.055505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.055505 (E_RNA) where: Base-Base interactions energy: -1648.264 where: short stacking energy: -722.580 Base-Backbone interact. energy: -2.199 local terms energy: -798.592690 where: bonds (distance) C4'-P energy: -154.945 bonds (distance) P-C4' energy: -156.287 flat angles C4'-P-C4' energy: -179.759 flat angles P-C4'-P energy: -112.043 tors. eta vs tors. theta energy: -195.559 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: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2339.416764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.416764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.416764 (E_RNA) where: Base-Base interactions energy: -1556.460 where: short stacking energy: -727.074 Base-Backbone interact. energy: -3.194 local terms energy: -779.762584 where: bonds (distance) C4'-P energy: -140.542 bonds (distance) P-C4' energy: -141.536 flat angles C4'-P-C4' energy: -170.201 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -217.888 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: 64 Temperature: 1.100000 Total energy: -1999.082535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.082535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.082535 (E_RNA) where: Base-Base interactions energy: -1309.821 where: short stacking energy: -545.974 Base-Backbone interact. energy: -0.630 local terms energy: -688.631856 where: bonds (distance) C4'-P energy: -153.510 bonds (distance) P-C4' energy: -162.858 flat angles C4'-P-C4' energy: -137.564 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -132.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1839.401588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.401588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.401588 (E_RNA) where: Base-Base interactions energy: -1186.650 where: short stacking energy: -549.316 Base-Backbone interact. energy: 2.279 local terms energy: -655.031235 where: bonds (distance) C4'-P energy: -129.632 bonds (distance) P-C4' energy: -145.790 flat angles C4'-P-C4' energy: -156.932 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -124.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1444.685436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.685436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.685436 (E_RNA) where: Base-Base interactions energy: -814.485 where: short stacking energy: -410.769 Base-Backbone interact. energy: -2.730 local terms energy: -627.469797 where: bonds (distance) C4'-P energy: -157.672 bonds (distance) P-C4' energy: -169.979 flat angles C4'-P-C4' energy: -154.161 flat angles P-C4'-P energy: -67.979 tors. eta vs tors. theta energy: -77.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1053.816161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.816161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.816161 (E_RNA) where: Base-Base interactions energy: -540.281 where: short stacking energy: -302.270 Base-Backbone interact. energy: 7.793 local terms energy: -521.328417 where: bonds (distance) C4'-P energy: -134.732 bonds (distance) P-C4' energy: -137.265 flat angles C4'-P-C4' energy: -150.374 flat angles P-C4'-P energy: -69.776 tors. eta vs tors. theta energy: -29.182 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: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1017.980157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.980157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.980157 (E_RNA) where: Base-Base interactions energy: -516.081 where: short stacking energy: -274.449 Base-Backbone interact. energy: -3.538 local terms energy: -498.361432 where: bonds (distance) C4'-P energy: -135.249 bonds (distance) P-C4' energy: -142.826 flat angles C4'-P-C4' energy: -136.269 flat angles P-C4'-P energy: -66.418 tors. eta vs tors. theta energy: -17.600 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: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -767.230768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.230768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.230768 (E_RNA) where: Base-Base interactions energy: -337.726 where: short stacking energy: -239.779 Base-Backbone interact. energy: 3.381 local terms energy: -432.886021 where: bonds (distance) C4'-P energy: -123.011 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -103.628 flat angles P-C4'-P energy: -84.161 tors. eta vs tors. theta energy: 8.720 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: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2745.975545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.975545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.975545 (E_RNA) where: Base-Base interactions energy: -1887.990 where: short stacking energy: -812.276 Base-Backbone interact. energy: -4.114 local terms energy: -853.871141 where: bonds (distance) C4'-P energy: -163.014 bonds (distance) P-C4' energy: -161.155 flat angles C4'-P-C4' energy: -170.799 flat angles P-C4'-P energy: -133.059 tors. eta vs tors. theta energy: -225.844 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: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2467.811252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.811252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.811252 (E_RNA) where: Base-Base interactions energy: -1684.559 where: short stacking energy: -728.991 Base-Backbone interact. energy: 0.967 local terms energy: -784.218391 where: bonds (distance) C4'-P energy: -158.931 bonds (distance) P-C4' energy: -139.737 flat angles C4'-P-C4' energy: -171.781 flat angles P-C4'-P energy: -121.580 tors. eta vs tors. theta energy: -192.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2429.698755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.698755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.698755 (E_RNA) where: Base-Base interactions energy: -1614.749 where: short stacking energy: -688.717 Base-Backbone interact. energy: -3.436 local terms energy: -811.513613 where: bonds (distance) C4'-P energy: -146.069 bonds (distance) P-C4' energy: -164.914 flat angles C4'-P-C4' energy: -194.987 flat angles P-C4'-P energy: -104.753 tors. eta vs tors. theta energy: -200.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2330.918295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.918295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.918295 (E_RNA) where: Base-Base interactions energy: -1540.461 where: short stacking energy: -702.734 Base-Backbone interact. energy: -1.630 local terms energy: -788.827024 where: bonds (distance) C4'-P energy: -126.921 bonds (distance) P-C4' energy: -148.633 flat angles C4'-P-C4' energy: -185.241 flat angles P-C4'-P energy: -121.459 tors. eta vs tors. theta energy: -206.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1965.279961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.279961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.279961 (E_RNA) where: Base-Base interactions energy: -1291.260 where: short stacking energy: -540.200 Base-Backbone interact. energy: 1.037 local terms energy: -675.056772 where: bonds (distance) C4'-P energy: -152.421 bonds (distance) P-C4' energy: -142.313 flat angles C4'-P-C4' energy: -161.451 flat angles P-C4'-P energy: -100.210 tors. eta vs tors. theta energy: -118.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1907.567566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.567566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.567566 (E_RNA) where: Base-Base interactions energy: -1201.273 where: short stacking energy: -546.069 Base-Backbone interact. energy: 1.631 local terms energy: -707.926077 where: bonds (distance) C4'-P energy: -145.808 bonds (distance) P-C4' energy: -156.587 flat angles C4'-P-C4' energy: -156.782 flat angles P-C4'-P energy: -113.318 tors. eta vs tors. theta energy: -135.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1412.586584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.586584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.586584 (E_RNA) where: Base-Base interactions energy: -825.531 where: short stacking energy: -404.692 Base-Backbone interact. energy: -3.299 local terms energy: -583.756418 where: bonds (distance) C4'-P energy: -145.703 bonds (distance) P-C4' energy: -120.901 flat angles C4'-P-C4' energy: -144.178 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -76.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1082.478640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.478640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.478640 (E_RNA) where: Base-Base interactions energy: -561.167 where: short stacking energy: -311.239 Base-Backbone interact. energy: -4.386 local terms energy: -516.925970 where: bonds (distance) C4'-P energy: -131.987 bonds (distance) P-C4' energy: -140.879 flat angles C4'-P-C4' energy: -137.727 flat angles P-C4'-P energy: -77.737 tors. eta vs tors. theta energy: -28.597 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: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1012.669355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.669355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.669355 (E_RNA) where: Base-Base interactions energy: -567.055 where: short stacking energy: -285.130 Base-Backbone interact. energy: 12.676 local terms energy: -458.290883 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -143.322 flat angles C4'-P-C4' energy: -104.276 flat angles P-C4'-P energy: -59.848 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -737.347208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.347208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.347208 (E_RNA) where: Base-Base interactions energy: -334.219 where: short stacking energy: -230.672 Base-Backbone interact. energy: -0.238 local terms energy: -402.890170 where: bonds (distance) C4'-P energy: -128.755 bonds (distance) P-C4' energy: -112.002 flat angles C4'-P-C4' energy: -116.987 flat angles P-C4'-P energy: -59.444 tors. eta vs tors. theta energy: 14.298 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: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2752.087586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.087586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.087586 (E_RNA) where: Base-Base interactions energy: -1926.115 where: short stacking energy: -842.252 Base-Backbone interact. energy: -2.102 local terms energy: -823.870552 where: bonds (distance) C4'-P energy: -142.522 bonds (distance) P-C4' energy: -154.422 flat angles C4'-P-C4' energy: -176.201 flat angles P-C4'-P energy: -126.117 tors. eta vs tors. theta energy: -224.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2488.267467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.267467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.267467 (E_RNA) where: Base-Base interactions energy: -1658.601 where: short stacking energy: -747.680 Base-Backbone interact. energy: -0.444 local terms energy: -829.221694 where: bonds (distance) C4'-P energy: -167.172 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -184.659 flat angles P-C4'-P energy: -120.061 tors. eta vs tors. theta energy: -197.235 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: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2411.147692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.147692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.147692 (E_RNA) where: Base-Base interactions energy: -1610.195 where: short stacking energy: -676.125 Base-Backbone interact. energy: -4.800 local terms energy: -796.151851 where: bonds (distance) C4'-P energy: -168.884 bonds (distance) P-C4' energy: -153.948 flat angles C4'-P-C4' energy: -168.731 flat angles P-C4'-P energy: -108.552 tors. eta vs tors. theta energy: -196.036 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: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2266.246704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.246704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.246704 (E_RNA) where: Base-Base interactions energy: -1509.170 where: short stacking energy: -670.484 Base-Backbone interact. energy: -4.192 local terms energy: -752.884169 where: bonds (distance) C4'-P energy: -146.464 bonds (distance) P-C4' energy: -146.684 flat angles C4'-P-C4' energy: -171.702 flat angles P-C4'-P energy: -99.989 tors. eta vs tors. theta energy: -188.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1975.727103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.727103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.727103 (E_RNA) where: Base-Base interactions energy: -1286.611 where: short stacking energy: -543.087 Base-Backbone interact. energy: -0.928 local terms energy: -688.188124 where: bonds (distance) C4'-P energy: -179.815 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -154.170 flat angles P-C4'-P energy: -93.370 tors. eta vs tors. theta energy: -125.602 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: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1936.127650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.127650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.127650 (E_RNA) where: Base-Base interactions energy: -1230.392 where: short stacking energy: -551.444 Base-Backbone interact. energy: -0.664 local terms energy: -705.070949 where: bonds (distance) C4'-P energy: -155.985 bonds (distance) P-C4' energy: -131.673 flat angles C4'-P-C4' energy: -167.455 flat angles P-C4'-P energy: -107.534 tors. eta vs tors. theta energy: -142.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1411.711920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.711920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.711920 (E_RNA) where: Base-Base interactions energy: -813.864 where: short stacking energy: -393.505 Base-Backbone interact. energy: -1.892 local terms energy: -595.955898 where: bonds (distance) C4'-P energy: -141.837 bonds (distance) P-C4' energy: -127.368 flat angles C4'-P-C4' energy: -150.031 flat angles P-C4'-P energy: -88.722 tors. eta vs tors. theta energy: -87.998 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: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1043.355183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.355183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.355183 (E_RNA) where: Base-Base interactions energy: -539.955 where: short stacking energy: -306.603 Base-Backbone interact. energy: -1.903 local terms energy: -501.497688 where: bonds (distance) C4'-P energy: -131.225 bonds (distance) P-C4' energy: -129.004 flat angles C4'-P-C4' energy: -125.851 flat angles P-C4'-P energy: -88.790 tors. eta vs tors. theta energy: -26.628 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: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -928.345656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.345656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.345656 (E_RNA) where: Base-Base interactions energy: -447.182 where: short stacking energy: -248.732 Base-Backbone interact. energy: -0.689 local terms energy: -480.474759 where: bonds (distance) C4'-P energy: -139.395 bonds (distance) P-C4' energy: -121.106 flat angles C4'-P-C4' energy: -143.469 flat angles P-C4'-P energy: -81.623 tors. eta vs tors. theta energy: 5.117 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: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -773.431706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.431706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.431706 (E_RNA) where: Base-Base interactions energy: -284.280 where: short stacking energy: -220.745 Base-Backbone interact. energy: 8.687 local terms energy: -497.839036 where: bonds (distance) C4'-P energy: -129.899 bonds (distance) P-C4' energy: -146.084 flat angles C4'-P-C4' energy: -149.620 flat angles P-C4'-P energy: -64.434 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2739.748411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.748411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.748411 (E_RNA) where: Base-Base interactions energy: -1868.755 where: short stacking energy: -784.423 Base-Backbone interact. energy: -7.844 local terms energy: -863.148698 where: bonds (distance) C4'-P energy: -158.463 bonds (distance) P-C4' energy: -179.485 flat angles C4'-P-C4' energy: -187.593 flat angles P-C4'-P energy: -112.023 tors. eta vs tors. theta energy: -225.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2491.311322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.311322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.311322 (E_RNA) where: Base-Base interactions energy: -1659.642 where: short stacking energy: -717.909 Base-Backbone interact. energy: -0.236 local terms energy: -831.432989 where: bonds (distance) C4'-P energy: -162.358 bonds (distance) P-C4' energy: -168.105 flat angles C4'-P-C4' energy: -187.072 flat angles P-C4'-P energy: -122.442 tors. eta vs tors. theta energy: -191.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2390.628349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.628349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.628349 (E_RNA) where: Base-Base interactions energy: -1642.593 where: short stacking energy: -697.434 Base-Backbone interact. energy: 1.828 local terms energy: -749.862916 where: bonds (distance) C4'-P energy: -149.728 bonds (distance) P-C4' energy: -149.788 flat angles C4'-P-C4' energy: -170.739 flat angles P-C4'-P energy: -102.758 tors. eta vs tors. theta energy: -176.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2288.794715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.794715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.794715 (E_RNA) where: Base-Base interactions energy: -1557.248 where: short stacking energy: -675.974 Base-Backbone interact. energy: -3.360 local terms energy: -728.187325 where: bonds (distance) C4'-P energy: -161.707 bonds (distance) P-C4' energy: -130.853 flat angles C4'-P-C4' energy: -171.805 flat angles P-C4'-P energy: -93.092 tors. eta vs tors. theta energy: -170.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1974.634969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.634969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.634969 (E_RNA) where: Base-Base interactions energy: -1311.844 where: short stacking energy: -539.672 Base-Backbone interact. energy: 0.018 local terms energy: -662.808826 where: bonds (distance) C4'-P energy: -144.893 bonds (distance) P-C4' energy: -146.188 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -88.009 tors. eta vs tors. theta energy: -119.709 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: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1965.935858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.935858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.935858 (E_RNA) where: Base-Base interactions energy: -1283.233 where: short stacking energy: -544.906 Base-Backbone interact. energy: -2.046 local terms energy: -680.656727 where: bonds (distance) C4'-P energy: -149.874 bonds (distance) P-C4' energy: -138.918 flat angles C4'-P-C4' energy: -148.714 flat angles P-C4'-P energy: -100.644 tors. eta vs tors. theta energy: -142.507 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1423.967018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.967018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.967018 (E_RNA) where: Base-Base interactions energy: -831.890 where: short stacking energy: -437.506 Base-Backbone interact. energy: -1.861 local terms energy: -590.216219 where: bonds (distance) C4'-P energy: -131.223 bonds (distance) P-C4' energy: -135.341 flat angles C4'-P-C4' energy: -138.168 flat angles P-C4'-P energy: -113.012 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: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1058.114895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.114895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.114895 (E_RNA) where: Base-Base interactions energy: -543.116 where: short stacking energy: -313.077 Base-Backbone interact. energy: -2.166 local terms energy: -512.833376 where: bonds (distance) C4'-P energy: -140.565 bonds (distance) P-C4' energy: -131.911 flat angles C4'-P-C4' energy: -127.498 flat angles P-C4'-P energy: -86.070 tors. eta vs tors. theta energy: -26.790 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: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -936.746979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.746979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.746979 (E_RNA) where: Base-Base interactions energy: -498.046 where: short stacking energy: -270.012 Base-Backbone interact. energy: 9.796 local terms energy: -448.497339 where: bonds (distance) C4'-P energy: -133.343 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -105.479 flat angles P-C4'-P energy: -52.899 tors. eta vs tors. theta energy: -19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -730.772184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.772184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.772184 (E_RNA) where: Base-Base interactions energy: -283.104 where: short stacking energy: -198.376 Base-Backbone interact. energy: 2.026 local terms energy: -449.694020 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -138.638 flat angles C4'-P-C4' energy: -112.319 flat angles P-C4'-P energy: -55.085 tors. eta vs tors. theta energy: 2.311 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: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2704.580607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.580607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.580607 (E_RNA) where: Base-Base interactions energy: -1825.290 where: short stacking energy: -786.311 Base-Backbone interact. energy: -4.894 local terms energy: -874.396580 where: bonds (distance) C4'-P energy: -160.085 bonds (distance) P-C4' energy: -172.054 flat angles C4'-P-C4' energy: -184.840 flat angles P-C4'-P energy: -134.419 tors. eta vs tors. theta energy: -222.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2499.265939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.265939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.265939 (E_RNA) where: Base-Base interactions energy: -1652.852 where: short stacking energy: -722.888 Base-Backbone interact. energy: -2.919 local terms energy: -843.495053 where: bonds (distance) C4'-P energy: -176.581 bonds (distance) P-C4' energy: -159.020 flat angles C4'-P-C4' energy: -173.671 flat angles P-C4'-P energy: -138.220 tors. eta vs tors. theta energy: -196.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2385.290130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.290130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.290130 (E_RNA) where: Base-Base interactions energy: -1588.996 where: short stacking energy: -659.160 Base-Backbone interact. energy: -3.039 local terms energy: -793.255621 where: bonds (distance) C4'-P energy: -162.260 bonds (distance) P-C4' energy: -171.876 flat angles C4'-P-C4' energy: -173.716 flat angles P-C4'-P energy: -104.696 tors. eta vs tors. theta energy: -180.708 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: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2317.782806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.782806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.782806 (E_RNA) where: Base-Base interactions energy: -1546.654 where: short stacking energy: -681.935 Base-Backbone interact. energy: -4.972 local terms energy: -766.156482 where: bonds (distance) C4'-P energy: -160.947 bonds (distance) P-C4' energy: -142.169 flat angles C4'-P-C4' energy: -167.573 flat angles P-C4'-P energy: -107.061 tors. eta vs tors. theta energy: -188.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1967.257398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.257398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.257398 (E_RNA) where: Base-Base interactions energy: -1284.875 where: short stacking energy: -538.812 Base-Backbone interact. energy: 0.155 local terms energy: -682.536950 where: bonds (distance) C4'-P energy: -129.138 bonds (distance) P-C4' energy: -171.837 flat angles C4'-P-C4' energy: -152.695 flat angles P-C4'-P energy: -96.900 tors. eta vs tors. theta energy: -131.967 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: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1953.686101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.686101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.686101 (E_RNA) where: Base-Base interactions energy: -1261.151 where: short stacking energy: -533.193 Base-Backbone interact. energy: -3.382 local terms energy: -689.153086 where: bonds (distance) C4'-P energy: -127.934 bonds (distance) P-C4' energy: -157.576 flat angles C4'-P-C4' energy: -153.060 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -151.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1420.913172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.913172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.913172 (E_RNA) where: Base-Base interactions energy: -827.084 where: short stacking energy: -410.553 Base-Backbone interact. energy: -3.491 local terms energy: -590.338461 where: bonds (distance) C4'-P energy: -140.953 bonds (distance) P-C4' energy: -156.369 flat angles C4'-P-C4' energy: -125.196 flat angles P-C4'-P energy: -93.611 tors. eta vs tors. theta energy: -74.209 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: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1078.257990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.257990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.257990 (E_RNA) where: Base-Base interactions energy: -566.837 where: short stacking energy: -297.463 Base-Backbone interact. energy: -1.566 local terms energy: -509.854982 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -138.475 flat angles C4'-P-C4' energy: -143.261 flat angles P-C4'-P energy: -45.789 tors. eta vs tors. theta energy: -37.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -969.592502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.592502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.592502 (E_RNA) where: Base-Base interactions energy: -510.422 where: short stacking energy: -264.151 Base-Backbone interact. energy: -3.461 local terms energy: -455.709405 where: bonds (distance) C4'-P energy: -119.401 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -127.624 flat angles P-C4'-P energy: -68.001 tors. eta vs tors. theta energy: -3.560 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: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -727.776673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.776673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.776673 (E_RNA) where: Base-Base interactions energy: -304.481 where: short stacking energy: -211.731 Base-Backbone interact. energy: 13.611 local terms energy: -436.906974 where: bonds (distance) C4'-P energy: -135.515 bonds (distance) P-C4' energy: -150.660 flat angles C4'-P-C4' energy: -115.370 flat angles P-C4'-P energy: -60.774 tors. eta vs tors. theta energy: 25.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2707.835014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.835014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.835014 (E_RNA) where: Base-Base interactions energy: -1871.801 where: short stacking energy: -782.416 Base-Backbone interact. energy: 1.226 local terms energy: -837.259249 where: bonds (distance) C4'-P energy: -144.851 bonds (distance) P-C4' energy: -174.947 flat angles C4'-P-C4' energy: -186.483 flat angles P-C4'-P energy: -105.021 tors. eta vs tors. theta energy: -225.957 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: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2479.436284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.436284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.436284 (E_RNA) where: Base-Base interactions energy: -1688.038 where: short stacking energy: -716.354 Base-Backbone interact. energy: -4.080 local terms energy: -787.318366 where: bonds (distance) C4'-P energy: -143.379 bonds (distance) P-C4' energy: -167.257 flat angles C4'-P-C4' energy: -163.818 flat angles P-C4'-P energy: -114.154 tors. eta vs tors. theta energy: -198.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2382.707845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.707845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.707845 (E_RNA) where: Base-Base interactions energy: -1613.301 where: short stacking energy: -684.812 Base-Backbone interact. energy: -3.957 local terms energy: -765.450572 where: bonds (distance) C4'-P energy: -147.559 bonds (distance) P-C4' energy: -161.413 flat angles C4'-P-C4' energy: -176.062 flat angles P-C4'-P energy: -103.189 tors. eta vs tors. theta energy: -177.227 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: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2321.485387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.485387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.485387 (E_RNA) where: Base-Base interactions energy: -1521.515 where: short stacking energy: -672.213 Base-Backbone interact. energy: -1.147 local terms energy: -798.823506 where: bonds (distance) C4'-P energy: -162.923 bonds (distance) P-C4' energy: -138.368 flat angles C4'-P-C4' energy: -174.712 flat angles P-C4'-P energy: -123.355 tors. eta vs tors. theta energy: -199.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1955.245329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.245329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.245329 (E_RNA) where: Base-Base interactions energy: -1296.910 where: short stacking energy: -588.645 Base-Backbone interact. energy: -3.263 local terms energy: -655.072828 where: bonds (distance) C4'-P energy: -125.382 bonds (distance) P-C4' energy: -149.138 flat angles C4'-P-C4' energy: -148.838 flat angles P-C4'-P energy: -88.179 tors. eta vs tors. theta energy: -143.536 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: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2034.835457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.835457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.835457 (E_RNA) where: Base-Base interactions energy: -1365.681 where: short stacking energy: -581.998 Base-Backbone interact. energy: -1.574 local terms energy: -667.580952 where: bonds (distance) C4'-P energy: -121.678 bonds (distance) P-C4' energy: -144.891 flat angles C4'-P-C4' energy: -149.959 flat angles P-C4'-P energy: -106.505 tors. eta vs tors. theta energy: -144.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1417.916193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.916193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.916193 (E_RNA) where: Base-Base interactions energy: -832.832 where: short stacking energy: -411.824 Base-Backbone interact. energy: -0.431 local terms energy: -584.653233 where: bonds (distance) C4'-P energy: -144.439 bonds (distance) P-C4' energy: -157.781 flat angles C4'-P-C4' energy: -140.114 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -73.310 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: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1247.001846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.001846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.001846 (E_RNA) where: Base-Base interactions energy: -752.542 where: short stacking energy: -362.265 Base-Backbone interact. energy: -4.517 local terms energy: -489.942950 where: bonds (distance) C4'-P energy: -134.808 bonds (distance) P-C4' energy: -136.784 flat angles C4'-P-C4' energy: -127.819 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -39.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1024.689609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.689609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.689609 (E_RNA) where: Base-Base interactions energy: -536.828 where: short stacking energy: -261.945 Base-Backbone interact. energy: 6.587 local terms energy: -494.448521 where: bonds (distance) C4'-P energy: -118.512 bonds (distance) P-C4' energy: -170.289 flat angles C4'-P-C4' energy: -125.746 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: 8.109 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: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -714.439693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.439693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.439693 (E_RNA) where: Base-Base interactions energy: -282.062 where: short stacking energy: -203.809 Base-Backbone interact. energy: 1.022 local terms energy: -433.399332 where: bonds (distance) C4'-P energy: -127.838 bonds (distance) P-C4' energy: -150.538 flat angles C4'-P-C4' energy: -106.683 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: 12.216 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: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2720.704216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.704216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.704216 (E_RNA) where: Base-Base interactions energy: -1861.804 where: short stacking energy: -792.146 Base-Backbone interact. energy: -4.697 local terms energy: -854.203304 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -172.472 flat angles C4'-P-C4' energy: -191.483 flat angles P-C4'-P energy: -121.108 tors. eta vs tors. theta energy: -227.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2487.971897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.971897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.971897 (E_RNA) where: Base-Base interactions energy: -1679.545 where: short stacking energy: -748.817 Base-Backbone interact. energy: -4.500 local terms energy: -803.926314 where: bonds (distance) C4'-P energy: -133.450 bonds (distance) P-C4' energy: -186.008 flat angles C4'-P-C4' energy: -185.275 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -193.936 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: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2388.451762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.451762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.451762 (E_RNA) where: Base-Base interactions energy: -1580.889 where: short stacking energy: -695.900 Base-Backbone interact. energy: -3.600 local terms energy: -803.963180 where: bonds (distance) C4'-P energy: -153.613 bonds (distance) P-C4' energy: -171.394 flat angles C4'-P-C4' energy: -180.285 flat angles P-C4'-P energy: -108.844 tors. eta vs tors. theta energy: -189.827 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: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2294.171734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.171734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.171734 (E_RNA) where: Base-Base interactions energy: -1497.480 where: short stacking energy: -688.033 Base-Backbone interact. energy: -0.023 local terms energy: -796.668375 where: bonds (distance) C4'-P energy: -154.174 bonds (distance) P-C4' energy: -158.623 flat angles C4'-P-C4' energy: -167.965 flat angles P-C4'-P energy: -114.077 tors. eta vs tors. theta energy: -201.829 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: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2232.637065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.637065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.637065 (E_RNA) where: Base-Base interactions energy: -1442.489 where: short stacking energy: -650.521 Base-Backbone interact. energy: -3.852 local terms energy: -786.296698 where: bonds (distance) C4'-P energy: -167.221 bonds (distance) P-C4' energy: -144.821 flat angles C4'-P-C4' energy: -174.504 flat angles P-C4'-P energy: -110.546 tors. eta vs tors. theta energy: -189.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1935.465686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.465686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.465686 (E_RNA) where: Base-Base interactions energy: -1265.205 where: short stacking energy: -529.294 Base-Backbone interact. energy: -5.039 local terms energy: -665.220973 where: bonds (distance) C4'-P energy: -152.277 bonds (distance) P-C4' energy: -142.329 flat angles C4'-P-C4' energy: -153.846 flat angles P-C4'-P energy: -101.928 tors. eta vs tors. theta energy: -114.840 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: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1431.470786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.470786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.470786 (E_RNA) where: Base-Base interactions energy: -840.290 where: short stacking energy: -436.049 Base-Backbone interact. energy: -3.968 local terms energy: -587.212958 where: bonds (distance) C4'-P energy: -129.115 bonds (distance) P-C4' energy: -158.034 flat angles C4'-P-C4' energy: -144.456 flat angles P-C4'-P energy: -80.617 tors. eta vs tors. theta energy: -74.991 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: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1201.230414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.230414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.230414 (E_RNA) where: Base-Base interactions energy: -662.232 where: short stacking energy: -347.822 Base-Backbone interact. energy: -3.447 local terms energy: -535.551577 where: bonds (distance) C4'-P energy: -116.740 bonds (distance) P-C4' energy: -156.611 flat angles C4'-P-C4' energy: -132.283 flat angles P-C4'-P energy: -91.013 tors. eta vs tors. theta energy: -38.904 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: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1070.050849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.050849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.050849 (E_RNA) where: Base-Base interactions energy: -581.896 where: short stacking energy: -324.979 Base-Backbone interact. energy: 1.542 local terms energy: -489.696649 where: bonds (distance) C4'-P energy: -110.379 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -114.971 flat angles P-C4'-P energy: -97.165 tors. eta vs tors. theta energy: -25.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -694.421208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.421208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.421208 (E_RNA) where: Base-Base interactions energy: -304.521 where: short stacking energy: -189.671 Base-Backbone interact. energy: 3.690 local terms energy: -393.590431 where: bonds (distance) C4'-P energy: -140.882 bonds (distance) P-C4' energy: -132.149 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -61.374 tors. eta vs tors. theta energy: 33.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2742.987960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.987960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.987960 (E_RNA) where: Base-Base interactions energy: -1864.334 where: short stacking energy: -785.846 Base-Backbone interact. energy: -7.456 local terms energy: -871.198287 where: bonds (distance) C4'-P energy: -158.822 bonds (distance) P-C4' energy: -174.996 flat angles C4'-P-C4' energy: -180.450 flat angles P-C4'-P energy: -126.050 tors. eta vs tors. theta energy: -230.881 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: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2497.384312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.384312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.384312 (E_RNA) where: Base-Base interactions energy: -1698.102 where: short stacking energy: -732.921 Base-Backbone interact. energy: -3.450 local terms energy: -795.832249 where: bonds (distance) C4'-P energy: -150.103 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -190.276 flat angles P-C4'-P energy: -114.983 tors. eta vs tors. theta energy: -191.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2366.772884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.772884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.772884 (E_RNA) where: Base-Base interactions energy: -1599.936 where: short stacking energy: -712.036 Base-Backbone interact. energy: 1.785 local terms energy: -768.621363 where: bonds (distance) C4'-P energy: -160.113 bonds (distance) P-C4' energy: -145.478 flat angles C4'-P-C4' energy: -180.616 flat angles P-C4'-P energy: -99.462 tors. eta vs tors. theta energy: -182.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2306.499008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.499008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.499008 (E_RNA) where: Base-Base interactions energy: -1526.190 where: short stacking energy: -715.669 Base-Backbone interact. energy: 4.397 local terms energy: -784.706631 where: bonds (distance) C4'-P energy: -143.426 bonds (distance) P-C4' energy: -157.349 flat angles C4'-P-C4' energy: -176.523 flat angles P-C4'-P energy: -107.098 tors. eta vs tors. theta energy: -200.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2193.457213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.457213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.457213 (E_RNA) where: Base-Base interactions energy: -1479.785 where: short stacking energy: -655.909 Base-Backbone interact. energy: -1.826 local terms energy: -711.846390 where: bonds (distance) C4'-P energy: -125.509 bonds (distance) P-C4' energy: -155.679 flat angles C4'-P-C4' energy: -157.911 flat angles P-C4'-P energy: -93.561 tors. eta vs tors. theta energy: -179.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1875.142485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.142485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.142485 (E_RNA) where: Base-Base interactions energy: -1186.358 where: short stacking energy: -513.083 Base-Backbone interact. energy: -3.461 local terms energy: -685.323331 where: bonds (distance) C4'-P energy: -151.530 bonds (distance) P-C4' energy: -139.403 flat angles C4'-P-C4' energy: -160.978 flat angles P-C4'-P energy: -104.416 tors. eta vs tors. theta energy: -128.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1405.708052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.708052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.708052 (E_RNA) where: Base-Base interactions energy: -830.040 where: short stacking energy: -419.404 Base-Backbone interact. energy: -3.110 local terms energy: -572.558079 where: bonds (distance) C4'-P energy: -146.111 bonds (distance) P-C4' energy: -137.305 flat angles C4'-P-C4' energy: -135.073 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -79.081 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: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1193.923101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.923101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.923101 (E_RNA) where: Base-Base interactions energy: -671.845 where: short stacking energy: -344.300 Base-Backbone interact. energy: 1.297 local terms energy: -523.375432 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -133.314 flat angles C4'-P-C4' energy: -135.458 flat angles P-C4'-P energy: -81.800 tors. eta vs tors. theta energy: -28.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1018.538901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.538901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.538901 (E_RNA) where: Base-Base interactions energy: -546.982 where: short stacking energy: -307.472 Base-Backbone interact. energy: 1.918 local terms energy: -473.474957 where: bonds (distance) C4'-P energy: -121.922 bonds (distance) P-C4' energy: -124.323 flat angles C4'-P-C4' energy: -127.155 flat angles P-C4'-P energy: -83.515 tors. eta vs tors. theta energy: -16.560 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: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -761.148834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.148834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.148834 (E_RNA) where: Base-Base interactions energy: -342.866 where: short stacking energy: -232.964 Base-Backbone interact. energy: 0.671 local terms energy: -418.953982 where: bonds (distance) C4'-P energy: -126.774 bonds (distance) P-C4' energy: -110.952 flat angles C4'-P-C4' energy: -131.305 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: 17.691 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: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2737.808081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.808081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.808081 (E_RNA) where: Base-Base interactions energy: -1877.663 where: short stacking energy: -796.435 Base-Backbone interact. energy: 1.377 local terms energy: -861.522338 where: bonds (distance) C4'-P energy: -181.857 bonds (distance) P-C4' energy: -167.633 flat angles C4'-P-C4' energy: -169.584 flat angles P-C4'-P energy: -118.070 tors. eta vs tors. theta energy: -224.379 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: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2474.939996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.939996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.939996 (E_RNA) where: Base-Base interactions energy: -1647.277 where: short stacking energy: -729.502 Base-Backbone interact. energy: -1.475 local terms energy: -826.188325 where: bonds (distance) C4'-P energy: -150.955 bonds (distance) P-C4' energy: -174.167 flat angles C4'-P-C4' energy: -188.610 flat angles P-C4'-P energy: -115.894 tors. eta vs tors. theta energy: -196.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2419.072935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.072935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.072935 (E_RNA) where: Base-Base interactions energy: -1609.022 where: short stacking energy: -737.587 Base-Backbone interact. energy: -1.733 local terms energy: -808.318857 where: bonds (distance) C4'-P energy: -156.289 bonds (distance) P-C4' energy: -156.279 flat angles C4'-P-C4' energy: -183.151 flat angles P-C4'-P energy: -113.663 tors. eta vs tors. theta energy: -198.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2304.603727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.603727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.603727 (E_RNA) where: Base-Base interactions energy: -1511.898 where: short stacking energy: -671.205 Base-Backbone interact. energy: -1.058 local terms energy: -791.647735 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -156.642 flat angles C4'-P-C4' energy: -175.927 flat angles P-C4'-P energy: -112.440 tors. eta vs tors. theta energy: -204.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2232.214177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.214177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.214177 (E_RNA) where: Base-Base interactions energy: -1513.235 where: short stacking energy: -640.102 Base-Backbone interact. energy: -3.155 local terms energy: -715.824044 where: bonds (distance) C4'-P energy: -129.416 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -163.247 flat angles P-C4'-P energy: -100.690 tors. eta vs tors. theta energy: -170.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1866.710807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.710807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.710807 (E_RNA) where: Base-Base interactions energy: -1191.689 where: short stacking energy: -498.425 Base-Backbone interact. energy: -1.531 local terms energy: -673.490749 where: bonds (distance) C4'-P energy: -149.095 bonds (distance) P-C4' energy: -142.282 flat angles C4'-P-C4' energy: -154.616 flat angles P-C4'-P energy: -95.720 tors. eta vs tors. theta energy: -131.778 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: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1377.737935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.737935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.737935 (E_RNA) where: Base-Base interactions energy: -837.855 where: short stacking energy: -433.023 Base-Backbone interact. energy: -4.087 local terms energy: -535.795348 where: bonds (distance) C4'-P energy: -124.353 bonds (distance) P-C4' energy: -132.514 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -71.694 tors. eta vs tors. theta energy: -68.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1176.609565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.609565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.609565 (E_RNA) where: Base-Base interactions energy: -615.571 where: short stacking energy: -295.243 Base-Backbone interact. energy: -0.704 local terms energy: -560.334013 where: bonds (distance) C4'-P energy: -149.936 bonds (distance) P-C4' energy: -160.650 flat angles C4'-P-C4' energy: -141.623 flat angles P-C4'-P energy: -83.408 tors. eta vs tors. theta energy: -24.716 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: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1010.380418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.380418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.380418 (E_RNA) where: Base-Base interactions energy: -563.920 where: short stacking energy: -274.098 Base-Backbone interact. energy: -2.279 local terms energy: -444.180905 where: bonds (distance) C4'-P energy: -132.613 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -105.925 flat angles P-C4'-P energy: -79.157 tors. eta vs tors. theta energy: 3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -721.575190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.575190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.575190 (E_RNA) where: Base-Base interactions energy: -278.139 where: short stacking energy: -209.518 Base-Backbone interact. energy: 5.612 local terms energy: -449.048235 where: bonds (distance) C4'-P energy: -131.954 bonds (distance) P-C4' energy: -133.276 flat angles C4'-P-C4' energy: -117.729 flat angles P-C4'-P energy: -73.944 tors. eta vs tors. theta energy: 7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2696.245824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.245824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.245824 (E_RNA) where: Base-Base interactions energy: -1832.364 where: short stacking energy: -786.336 Base-Backbone interact. energy: -1.761 local terms energy: -862.120843 where: bonds (distance) C4'-P energy: -158.820 bonds (distance) P-C4' energy: -169.731 flat angles C4'-P-C4' energy: -181.048 flat angles P-C4'-P energy: -123.706 tors. eta vs tors. theta energy: -228.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2483.192142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.192142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.192142 (E_RNA) where: Base-Base interactions energy: -1646.822 where: short stacking energy: -736.104 Base-Backbone interact. energy: 2.364 local terms energy: -838.734015 where: bonds (distance) C4'-P energy: -162.900 bonds (distance) P-C4' energy: -163.852 flat angles C4'-P-C4' energy: -185.144 flat angles P-C4'-P energy: -123.459 tors. eta vs tors. theta energy: -203.379 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2449.646910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.646910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.646910 (E_RNA) where: Base-Base interactions energy: -1659.419 where: short stacking energy: -719.280 Base-Backbone interact. energy: 1.162 local terms energy: -791.389692 where: bonds (distance) C4'-P energy: -168.357 bonds (distance) P-C4' energy: -140.713 flat angles C4'-P-C4' energy: -170.121 flat angles P-C4'-P energy: -113.460 tors. eta vs tors. theta energy: -198.738 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2327.668503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.668503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.668503 (E_RNA) where: Base-Base interactions energy: -1515.274 where: short stacking energy: -694.488 Base-Backbone interact. energy: 1.003 local terms energy: -813.397986 where: bonds (distance) C4'-P energy: -158.222 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -180.113 flat angles P-C4'-P energy: -110.949 tors. eta vs tors. theta energy: -205.131 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: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2156.415517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.415517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.415517 (E_RNA) where: Base-Base interactions energy: -1417.696 where: short stacking energy: -620.698 Base-Backbone interact. energy: 4.252 local terms energy: -742.971005 where: bonds (distance) C4'-P energy: -143.644 bonds (distance) P-C4' energy: -163.789 flat angles C4'-P-C4' energy: -178.188 flat angles P-C4'-P energy: -94.859 tors. eta vs tors. theta energy: -162.491 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: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1913.087782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.087782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.087782 (E_RNA) where: Base-Base interactions energy: -1219.296 where: short stacking energy: -547.799 Base-Backbone interact. energy: -2.668 local terms energy: -691.124107 where: bonds (distance) C4'-P energy: -149.573 bonds (distance) P-C4' energy: -147.504 flat angles C4'-P-C4' energy: -163.378 flat angles P-C4'-P energy: -88.809 tors. eta vs tors. theta energy: -141.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1497.388162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.388162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.388162 (E_RNA) where: Base-Base interactions energy: -891.084 where: short stacking energy: -433.938 Base-Backbone interact. energy: 3.759 local terms energy: -610.063020 where: bonds (distance) C4'-P energy: -142.028 bonds (distance) P-C4' energy: -142.576 flat angles C4'-P-C4' energy: -147.091 flat angles P-C4'-P energy: -98.822 tors. eta vs tors. theta energy: -79.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1026.986512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.986512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.986512 (E_RNA) where: Base-Base interactions energy: -521.094 where: short stacking energy: -288.547 Base-Backbone interact. energy: 4.859 local terms energy: -510.751769 where: bonds (distance) C4'-P energy: -152.793 bonds (distance) P-C4' energy: -148.384 flat angles C4'-P-C4' energy: -122.793 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1069.753638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.753638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.753638 (E_RNA) where: Base-Base interactions energy: -545.879 where: short stacking energy: -274.742 Base-Backbone interact. energy: -1.757 local terms energy: -522.117079 where: bonds (distance) C4'-P energy: -145.746 bonds (distance) P-C4' energy: -129.677 flat angles C4'-P-C4' energy: -129.978 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -22.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -707.660129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.660129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.660129 (E_RNA) where: Base-Base interactions energy: -328.686 where: short stacking energy: -221.221 Base-Backbone interact. energy: 6.458 local terms energy: -385.431986 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -101.432 flat angles P-C4'-P energy: -72.477 tors. eta vs tors. theta energy: 28.202 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: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2737.986494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.986494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.986494 (E_RNA) where: Base-Base interactions energy: -1861.988 where: short stacking energy: -805.716 Base-Backbone interact. energy: -5.873 local terms energy: -870.125463 where: bonds (distance) C4'-P energy: -174.494 bonds (distance) P-C4' energy: -152.820 flat angles C4'-P-C4' energy: -183.897 flat angles P-C4'-P energy: -131.739 tors. eta vs tors. theta energy: -227.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2523.877802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.877802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.877802 (E_RNA) where: Base-Base interactions energy: -1657.534 where: short stacking energy: -733.486 Base-Backbone interact. energy: -3.650 local terms energy: -862.694089 where: bonds (distance) C4'-P energy: -166.770 bonds (distance) P-C4' energy: -167.108 flat angles C4'-P-C4' energy: -189.374 flat angles P-C4'-P energy: -132.205 tors. eta vs tors. theta energy: -207.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2423.894010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.894010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.894010 (E_RNA) where: Base-Base interactions energy: -1626.153 where: short stacking energy: -731.405 Base-Backbone interact. energy: 0.410 local terms energy: -798.151070 where: bonds (distance) C4'-P energy: -150.469 bonds (distance) P-C4' energy: -160.133 flat angles C4'-P-C4' energy: -171.151 flat angles P-C4'-P energy: -110.161 tors. eta vs tors. theta energy: -206.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2345.826993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.826993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.826993 (E_RNA) where: Base-Base interactions energy: -1545.499 where: short stacking energy: -686.331 Base-Backbone interact. energy: -3.943 local terms energy: -796.385094 where: bonds (distance) C4'-P energy: -148.989 bonds (distance) P-C4' energy: -149.535 flat angles C4'-P-C4' energy: -178.692 flat angles P-C4'-P energy: -103.042 tors. eta vs tors. theta energy: -216.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2177.938091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.938091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.938091 (E_RNA) where: Base-Base interactions energy: -1449.045 where: short stacking energy: -617.062 Base-Backbone interact. energy: -3.954 local terms energy: -724.939204 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -174.614 flat angles P-C4'-P energy: -99.677 tors. eta vs tors. theta energy: -167.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1825.618917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.618917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.618917 (E_RNA) where: Base-Base interactions energy: -1157.813 where: short stacking energy: -548.625 Base-Backbone interact. energy: 2.031 local terms energy: -669.836695 where: bonds (distance) C4'-P energy: -138.373 bonds (distance) P-C4' energy: -145.964 flat angles C4'-P-C4' energy: -155.072 flat angles P-C4'-P energy: -89.818 tors. eta vs tors. theta energy: -140.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1429.679658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.679658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.679658 (E_RNA) where: Base-Base interactions energy: -818.120 where: short stacking energy: -414.761 Base-Backbone interact. energy: -0.547 local terms energy: -611.012508 where: bonds (distance) C4'-P energy: -156.783 bonds (distance) P-C4' energy: -151.119 flat angles C4'-P-C4' energy: -137.043 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -80.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1120.837844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.837844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.837844 (E_RNA) where: Base-Base interactions energy: -621.411 where: short stacking energy: -318.766 Base-Backbone interact. energy: 2.880 local terms energy: -502.306635 where: bonds (distance) C4'-P energy: -131.094 bonds (distance) P-C4' energy: -153.133 flat angles C4'-P-C4' energy: -136.129 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -20.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1074.605373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.605373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.605373 (E_RNA) where: Base-Base interactions energy: -580.581 where: short stacking energy: -289.943 Base-Backbone interact. energy: 0.239 local terms energy: -494.262790 where: bonds (distance) C4'-P energy: -145.426 bonds (distance) P-C4' energy: -133.894 flat angles C4'-P-C4' energy: -121.981 flat angles P-C4'-P energy: -79.300 tors. eta vs tors. theta energy: -13.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -695.695588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.695588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.695588 (E_RNA) where: Base-Base interactions energy: -282.507 where: short stacking energy: -212.113 Base-Backbone interact. energy: -3.381 local terms energy: -409.808167 where: bonds (distance) C4'-P energy: -138.108 bonds (distance) P-C4' energy: -122.767 flat angles C4'-P-C4' energy: -118.986 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: 22.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2680.536835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.536835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.536835 (E_RNA) where: Base-Base interactions energy: -1815.516 where: short stacking energy: -777.542 Base-Backbone interact. energy: -7.243 local terms energy: -857.777896 where: bonds (distance) C4'-P energy: -151.730 bonds (distance) P-C4' energy: -165.275 flat angles C4'-P-C4' energy: -184.314 flat angles P-C4'-P energy: -126.662 tors. eta vs tors. theta energy: -229.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2492.501634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.501634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.501634 (E_RNA) where: Base-Base interactions energy: -1649.285 where: short stacking energy: -707.248 Base-Backbone interact. energy: -1.434 local terms energy: -841.782598 where: bonds (distance) C4'-P energy: -154.221 bonds (distance) P-C4' energy: -178.041 flat angles C4'-P-C4' energy: -185.204 flat angles P-C4'-P energy: -121.584 tors. eta vs tors. theta energy: -202.732 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: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2448.649168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.649168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.649168 (E_RNA) where: Base-Base interactions energy: -1677.389 where: short stacking energy: -713.713 Base-Backbone interact. energy: -1.481 local terms energy: -769.779654 where: bonds (distance) C4'-P energy: -150.900 bonds (distance) P-C4' energy: -141.977 flat angles C4'-P-C4' energy: -170.345 flat angles P-C4'-P energy: -103.986 tors. eta vs tors. theta energy: -202.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2326.289555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.289555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.289555 (E_RNA) where: Base-Base interactions energy: -1519.670 where: short stacking energy: -655.948 Base-Backbone interact. energy: -4.456 local terms energy: -802.163892 where: bonds (distance) C4'-P energy: -161.028 bonds (distance) P-C4' energy: -154.132 flat angles C4'-P-C4' energy: -167.367 flat angles P-C4'-P energy: -114.921 tors. eta vs tors. theta energy: -204.716 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: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2219.254039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.254039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.254039 (E_RNA) where: Base-Base interactions energy: -1485.473 where: short stacking energy: -621.435 Base-Backbone interact. energy: 0.680 local terms energy: -734.460858 where: bonds (distance) C4'-P energy: -131.228 bonds (distance) P-C4' energy: -162.597 flat angles C4'-P-C4' energy: -172.726 flat angles P-C4'-P energy: -95.972 tors. eta vs tors. theta energy: -171.938 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1805.381889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.381889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.381889 (E_RNA) where: Base-Base interactions energy: -1151.789 where: short stacking energy: -528.118 Base-Backbone interact. energy: -2.648 local terms energy: -650.945304 where: bonds (distance) C4'-P energy: -130.619 bonds (distance) P-C4' energy: -151.065 flat angles C4'-P-C4' energy: -144.598 flat angles P-C4'-P energy: -102.293 tors. eta vs tors. theta energy: -122.371 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: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1428.796395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.796395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.796395 (E_RNA) where: Base-Base interactions energy: -828.217 where: short stacking energy: -417.480 Base-Backbone interact. energy: 0.996 local terms energy: -601.574933 where: bonds (distance) C4'-P energy: -135.643 bonds (distance) P-C4' energy: -145.943 flat angles C4'-P-C4' energy: -153.352 flat angles P-C4'-P energy: -91.186 tors. eta vs tors. theta energy: -75.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1149.115111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.115111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.115111 (E_RNA) where: Base-Base interactions energy: -635.431 where: short stacking energy: -327.316 Base-Backbone interact. energy: 1.425 local terms energy: -515.109196 where: bonds (distance) C4'-P energy: -128.413 bonds (distance) P-C4' energy: -153.183 flat angles C4'-P-C4' energy: -114.090 flat angles P-C4'-P energy: -90.780 tors. eta vs tors. theta energy: -28.643 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: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1095.093732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.093732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.093732 (E_RNA) where: Base-Base interactions energy: -585.425 where: short stacking energy: -328.657 Base-Backbone interact. energy: 1.598 local terms energy: -511.266665 where: bonds (distance) C4'-P energy: -138.818 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -133.309 flat angles P-C4'-P energy: -69.261 tors. eta vs tors. theta energy: -32.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -724.206417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.206417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.206417 (E_RNA) where: Base-Base interactions energy: -314.789 where: short stacking energy: -203.842 Base-Backbone interact. energy: 5.546 local terms energy: -414.964135 where: bonds (distance) C4'-P energy: -114.214 bonds (distance) P-C4' energy: -135.767 flat angles C4'-P-C4' energy: -121.075 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: 4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2692.957448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.957448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.957448 (E_RNA) where: Base-Base interactions energy: -1860.230 where: short stacking energy: -798.395 Base-Backbone interact. energy: -3.448 local terms energy: -829.279706 where: bonds (distance) C4'-P energy: -149.397 bonds (distance) P-C4' energy: -156.381 flat angles C4'-P-C4' energy: -188.903 flat angles P-C4'-P energy: -116.072 tors. eta vs tors. theta energy: -218.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2508.842540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.842540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.842540 (E_RNA) where: Base-Base interactions energy: -1690.468 where: short stacking energy: -735.358 Base-Backbone interact. energy: -3.682 local terms energy: -814.692508 where: bonds (distance) C4'-P energy: -170.116 bonds (distance) P-C4' energy: -155.017 flat angles C4'-P-C4' energy: -173.974 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -208.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2441.241088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.241088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.241088 (E_RNA) where: Base-Base interactions energy: -1651.158 where: short stacking energy: -709.221 Base-Backbone interact. energy: -1.832 local terms energy: -788.250958 where: bonds (distance) C4'-P energy: -135.359 bonds (distance) P-C4' energy: -155.429 flat angles C4'-P-C4' energy: -172.106 flat angles P-C4'-P energy: -124.897 tors. eta vs tors. theta energy: -200.460 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: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2342.797692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.797692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.797692 (E_RNA) where: Base-Base interactions energy: -1526.239 where: short stacking energy: -698.668 Base-Backbone interact. energy: 2.876 local terms energy: -819.433921 where: bonds (distance) C4'-P energy: -143.940 bonds (distance) P-C4' energy: -174.889 flat angles C4'-P-C4' energy: -177.542 flat angles P-C4'-P energy: -121.075 tors. eta vs tors. theta energy: -201.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2268.508274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.508274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.508274 (E_RNA) where: Base-Base interactions energy: -1485.726 where: short stacking energy: -642.242 Base-Backbone interact. energy: 2.218 local terms energy: -785.000101 where: bonds (distance) C4'-P energy: -148.723 bonds (distance) P-C4' energy: -169.748 flat angles C4'-P-C4' energy: -179.078 flat angles P-C4'-P energy: -111.885 tors. eta vs tors. theta energy: -175.566 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: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1800.942603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.942603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.942603 (E_RNA) where: Base-Base interactions energy: -1132.584 where: short stacking energy: -515.483 Base-Backbone interact. energy: -3.498 local terms energy: -664.860871 where: bonds (distance) C4'-P energy: -148.211 bonds (distance) P-C4' energy: -157.905 flat angles C4'-P-C4' energy: -162.722 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -113.142 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: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1450.333521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.333521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.333521 (E_RNA) where: Base-Base interactions energy: -862.981 where: short stacking energy: -449.329 Base-Backbone interact. energy: -2.001 local terms energy: -585.350802 where: bonds (distance) C4'-P energy: -136.774 bonds (distance) P-C4' energy: -133.637 flat angles C4'-P-C4' energy: -150.823 flat angles P-C4'-P energy: -63.949 tors. eta vs tors. theta energy: -100.168 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: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1223.987924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.987924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.987924 (E_RNA) where: Base-Base interactions energy: -718.518 where: short stacking energy: -363.384 Base-Backbone interact. energy: 0.969 local terms energy: -506.438500 where: bonds (distance) C4'-P energy: -124.179 bonds (distance) P-C4' energy: -148.903 flat angles C4'-P-C4' energy: -112.775 flat angles P-C4'-P energy: -58.814 tors. eta vs tors. theta energy: -61.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1053.543057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.543057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.543057 (E_RNA) where: Base-Base interactions energy: -566.366 where: short stacking energy: -305.325 Base-Backbone interact. energy: 0.134 local terms energy: -487.310481 where: bonds (distance) C4'-P energy: -148.086 bonds (distance) P-C4' energy: -116.773 flat angles C4'-P-C4' energy: -141.496 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -21.830 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: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -738.506749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.506749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.506749 (E_RNA) where: Base-Base interactions energy: -361.489 where: short stacking energy: -196.539 Base-Backbone interact. energy: 6.669 local terms energy: -383.686629 where: bonds (distance) C4'-P energy: -121.103 bonds (distance) P-C4' energy: -118.206 flat angles C4'-P-C4' energy: -99.310 flat angles P-C4'-P energy: -57.578 tors. eta vs tors. theta energy: 12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2695.509727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.509727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.509727 (E_RNA) where: Base-Base interactions energy: -1843.843 where: short stacking energy: -796.847 Base-Backbone interact. energy: 1.373 local terms energy: -853.039830 where: bonds (distance) C4'-P energy: -155.661 bonds (distance) P-C4' energy: -161.158 flat angles C4'-P-C4' energy: -185.742 flat angles P-C4'-P energy: -115.397 tors. eta vs tors. theta energy: -235.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2483.185310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.185310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.185310 (E_RNA) where: Base-Base interactions energy: -1658.426 where: short stacking energy: -728.221 Base-Backbone interact. energy: -2.289 local terms energy: -822.470313 where: bonds (distance) C4'-P energy: -156.773 bonds (distance) P-C4' energy: -159.117 flat angles C4'-P-C4' energy: -186.355 flat angles P-C4'-P energy: -126.455 tors. eta vs tors. theta energy: -193.771 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: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2348.660402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.660402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.660402 (E_RNA) where: Base-Base interactions energy: -1564.396 where: short stacking energy: -675.428 Base-Backbone interact. energy: -3.445 local terms energy: -780.819484 where: bonds (distance) C4'-P energy: -159.555 bonds (distance) P-C4' energy: -141.145 flat angles C4'-P-C4' energy: -169.055 flat angles P-C4'-P energy: -127.214 tors. eta vs tors. theta energy: -183.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2324.027040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.027040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.027040 (E_RNA) where: Base-Base interactions energy: -1553.057 where: short stacking energy: -721.240 Base-Backbone interact. energy: 4.932 local terms energy: -775.902016 where: bonds (distance) C4'-P energy: -137.187 bonds (distance) P-C4' energy: -150.880 flat angles C4'-P-C4' energy: -182.698 flat angles P-C4'-P energy: -100.827 tors. eta vs tors. theta energy: -204.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2222.673069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.673069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.673069 (E_RNA) where: Base-Base interactions energy: -1457.022 where: short stacking energy: -637.116 Base-Backbone interact. energy: 1.519 local terms energy: -767.170412 where: bonds (distance) C4'-P energy: -139.510 bonds (distance) P-C4' energy: -165.089 flat angles C4'-P-C4' energy: -167.003 flat angles P-C4'-P energy: -120.150 tors. eta vs tors. theta energy: -175.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1885.370728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.370728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.370728 (E_RNA) where: Base-Base interactions energy: -1238.770 where: short stacking energy: -561.073 Base-Backbone interact. energy: 1.155 local terms energy: -647.755793 where: bonds (distance) C4'-P energy: -147.588 bonds (distance) P-C4' energy: -115.524 flat angles C4'-P-C4' energy: -157.353 flat angles P-C4'-P energy: -94.243 tors. eta vs tors. theta energy: -133.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1429.614183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.614183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.614183 (E_RNA) where: Base-Base interactions energy: -856.369 where: short stacking energy: -419.902 Base-Backbone interact. energy: 0.584 local terms energy: -573.829187 where: bonds (distance) C4'-P energy: -125.060 bonds (distance) P-C4' energy: -128.262 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -101.953 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: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1238.401752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.401752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.401752 (E_RNA) where: Base-Base interactions energy: -686.281 where: short stacking energy: -336.342 Base-Backbone interact. energy: 1.047 local terms energy: -553.167260 where: bonds (distance) C4'-P energy: -120.630 bonds (distance) P-C4' energy: -152.664 flat angles C4'-P-C4' energy: -146.702 flat angles P-C4'-P energy: -85.792 tors. eta vs tors. theta energy: -47.379 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: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1036.842920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.842920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.842920 (E_RNA) where: Base-Base interactions energy: -555.171 where: short stacking energy: -300.044 Base-Backbone interact. energy: -1.606 local terms energy: -480.065610 where: bonds (distance) C4'-P energy: -138.334 bonds (distance) P-C4' energy: -106.336 flat angles C4'-P-C4' energy: -122.481 flat angles P-C4'-P energy: -76.700 tors. eta vs tors. theta energy: -36.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -740.969274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.969274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.969274 (E_RNA) where: Base-Base interactions energy: -318.688 where: short stacking energy: -218.667 Base-Backbone interact. energy: 1.616 local terms energy: -423.897898 where: bonds (distance) C4'-P energy: -131.638 bonds (distance) P-C4' energy: -139.170 flat angles C4'-P-C4' energy: -98.573 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: 10.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2683.442957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.442957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.442957 (E_RNA) where: Base-Base interactions energy: -1843.615 where: short stacking energy: -799.745 Base-Backbone interact. energy: -5.399 local terms energy: -834.429408 where: bonds (distance) C4'-P energy: -157.074 bonds (distance) P-C4' energy: -154.017 flat angles C4'-P-C4' energy: -173.890 flat angles P-C4'-P energy: -125.290 tors. eta vs tors. theta energy: -224.159 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: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2471.146865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.146865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.146865 (E_RNA) where: Base-Base interactions energy: -1632.099 where: short stacking energy: -734.734 Base-Backbone interact. energy: -2.700 local terms energy: -836.347640 where: bonds (distance) C4'-P energy: -147.145 bonds (distance) P-C4' energy: -156.074 flat angles C4'-P-C4' energy: -196.190 flat angles P-C4'-P energy: -122.204 tors. eta vs tors. theta energy: -214.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2376.227960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.227960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.227960 (E_RNA) where: Base-Base interactions energy: -1582.885 where: short stacking energy: -739.389 Base-Backbone interact. energy: -1.310 local terms energy: -792.033126 where: bonds (distance) C4'-P energy: -150.952 bonds (distance) P-C4' energy: -159.568 flat angles C4'-P-C4' energy: -174.967 flat angles P-C4'-P energy: -97.136 tors. eta vs tors. theta energy: -209.411 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2300.965405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.965405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.965405 (E_RNA) where: Base-Base interactions energy: -1509.214 where: short stacking energy: -696.576 Base-Backbone interact. energy: -1.304 local terms energy: -790.447260 where: bonds (distance) C4'-P energy: -153.000 bonds (distance) P-C4' energy: -148.204 flat angles C4'-P-C4' energy: -171.142 flat angles P-C4'-P energy: -111.729 tors. eta vs tors. theta energy: -206.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2235.845002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.845002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.845002 (E_RNA) where: Base-Base interactions energy: -1470.240 where: short stacking energy: -644.965 Base-Backbone interact. energy: -2.107 local terms energy: -763.498108 where: bonds (distance) C4'-P energy: -145.373 bonds (distance) P-C4' energy: -160.324 flat angles C4'-P-C4' energy: -171.255 flat angles P-C4'-P energy: -107.540 tors. eta vs tors. theta energy: -179.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1910.925974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.925974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.925974 (E_RNA) where: Base-Base interactions energy: -1227.184 where: short stacking energy: -539.388 Base-Backbone interact. energy: -1.879 local terms energy: -681.862939 where: bonds (distance) C4'-P energy: -134.517 bonds (distance) P-C4' energy: -162.753 flat angles C4'-P-C4' energy: -152.890 flat angles P-C4'-P energy: -90.515 tors. eta vs tors. theta energy: -141.188 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: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1361.593472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.593472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.593472 (E_RNA) where: Base-Base interactions energy: -796.779 where: short stacking energy: -435.345 Base-Backbone interact. energy: 0.516 local terms energy: -565.330318 where: bonds (distance) C4'-P energy: -145.407 bonds (distance) P-C4' energy: -136.736 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -72.921 tors. eta vs tors. theta energy: -90.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1217.807821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.807821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.807821 (E_RNA) where: Base-Base interactions energy: -686.011 where: short stacking energy: -359.165 Base-Backbone interact. energy: 2.023 local terms energy: -533.819378 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -124.152 flat angles C4'-P-C4' energy: -138.545 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -52.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1037.741979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.741979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.741979 (E_RNA) where: Base-Base interactions energy: -551.144 where: short stacking energy: -272.417 Base-Backbone interact. energy: 2.682 local terms energy: -489.280003 where: bonds (distance) C4'-P energy: -140.655 bonds (distance) P-C4' energy: -142.646 flat angles C4'-P-C4' energy: -127.178 flat angles P-C4'-P energy: -72.049 tors. eta vs tors. theta energy: -6.752 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: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -786.961087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.961087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.961087 (E_RNA) where: Base-Base interactions energy: -340.815 where: short stacking energy: -213.823 Base-Backbone interact. energy: -1.337 local terms energy: -444.809507 where: bonds (distance) C4'-P energy: -121.975 bonds (distance) P-C4' energy: -152.308 flat angles C4'-P-C4' energy: -135.681 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: 3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2734.626272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.626272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.626272 (E_RNA) where: Base-Base interactions energy: -1891.006 where: short stacking energy: -801.300 Base-Backbone interact. energy: -3.836 local terms energy: -839.783959 where: bonds (distance) C4'-P energy: -168.431 bonds (distance) P-C4' energy: -152.220 flat angles C4'-P-C4' energy: -188.713 flat angles P-C4'-P energy: -108.779 tors. eta vs tors. theta energy: -221.640 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: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2500.411100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.411100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.411100 (E_RNA) where: Base-Base interactions energy: -1685.497 where: short stacking energy: -744.098 Base-Backbone interact. energy: -4.493 local terms energy: -810.420633 where: bonds (distance) C4'-P energy: -160.501 bonds (distance) P-C4' energy: -161.941 flat angles C4'-P-C4' energy: -182.281 flat angles P-C4'-P energy: -113.846 tors. eta vs tors. theta energy: -191.852 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: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2381.738791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.738791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.738791 (E_RNA) where: Base-Base interactions energy: -1620.209 where: short stacking energy: -703.003 Base-Backbone interact. energy: -2.190 local terms energy: -759.340014 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -151.672 flat angles C4'-P-C4' energy: -163.648 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -209.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2375.455079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.455079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.455079 (E_RNA) where: Base-Base interactions energy: -1577.565 where: short stacking energy: -722.830 Base-Backbone interact. energy: -3.114 local terms energy: -794.776200 where: bonds (distance) C4'-P energy: -165.388 bonds (distance) P-C4' energy: -140.950 flat angles C4'-P-C4' energy: -165.469 flat angles P-C4'-P energy: -112.060 tors. eta vs tors. theta energy: -210.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2217.480937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.480937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.480937 (E_RNA) where: Base-Base interactions energy: -1455.313 where: short stacking energy: -637.420 Base-Backbone interact. energy: -4.008 local terms energy: -758.160627 where: bonds (distance) C4'-P energy: -147.191 bonds (distance) P-C4' energy: -156.563 flat angles C4'-P-C4' energy: -171.422 flat angles P-C4'-P energy: -103.871 tors. eta vs tors. theta energy: -179.113 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: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1859.206253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.206253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.206253 (E_RNA) where: Base-Base interactions energy: -1200.772 where: short stacking energy: -545.533 Base-Backbone interact. energy: -3.628 local terms energy: -654.806634 where: bonds (distance) C4'-P energy: -123.969 bonds (distance) P-C4' energy: -144.132 flat angles C4'-P-C4' energy: -163.034 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -142.687 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: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1410.332683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.332683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.332683 (E_RNA) where: Base-Base interactions energy: -797.597 where: short stacking energy: -377.710 Base-Backbone interact. energy: -3.265 local terms energy: -609.470837 where: bonds (distance) C4'-P energy: -152.805 bonds (distance) P-C4' energy: -155.344 flat angles C4'-P-C4' energy: -131.905 flat angles P-C4'-P energy: -93.609 tors. eta vs tors. theta energy: -75.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1314.192915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.192915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.192915 (E_RNA) where: Base-Base interactions energy: -770.423 where: short stacking energy: -372.014 Base-Backbone interact. energy: 3.005 local terms energy: -546.774389 where: bonds (distance) C4'-P energy: -138.543 bonds (distance) P-C4' energy: -147.349 flat angles C4'-P-C4' energy: -131.565 flat angles P-C4'-P energy: -71.352 tors. eta vs tors. theta energy: -57.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1042.318383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.318383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.318383 (E_RNA) where: Base-Base interactions energy: -554.782 where: short stacking energy: -288.121 Base-Backbone interact. energy: 0.115 local terms energy: -487.651540 where: bonds (distance) C4'-P energy: -121.351 bonds (distance) P-C4' energy: -146.296 flat angles C4'-P-C4' energy: -113.615 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -33.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -787.759354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.759354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.759354 (E_RNA) where: Base-Base interactions energy: -362.860 where: short stacking energy: -226.149 Base-Backbone interact. energy: 7.214 local terms energy: -432.113791 where: bonds (distance) C4'-P energy: -141.550 bonds (distance) P-C4' energy: -143.989 flat angles C4'-P-C4' energy: -102.909 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: 16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2733.334700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.334700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.334700 (E_RNA) where: Base-Base interactions energy: -1860.972 where: short stacking energy: -783.107 Base-Backbone interact. energy: -0.874 local terms energy: -871.488669 where: bonds (distance) C4'-P energy: -157.599 bonds (distance) P-C4' energy: -161.385 flat angles C4'-P-C4' energy: -195.821 flat angles P-C4'-P energy: -125.110 tors. eta vs tors. theta energy: -231.574 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: 80 Temperature: 0.950000 Total energy: -2510.241592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.241592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.241592 (E_RNA) where: Base-Base interactions energy: -1692.485 where: short stacking energy: -733.003 Base-Backbone interact. energy: -5.636 local terms energy: -812.120364 where: bonds (distance) C4'-P energy: -163.435 bonds (distance) P-C4' energy: -153.310 flat angles C4'-P-C4' energy: -170.864 flat angles P-C4'-P energy: -125.016 tors. eta vs tors. theta energy: -199.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2464.659547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.659547 (E_RNA) where: Base-Base interactions energy: -1639.470 where: short stacking energy: -691.230 Base-Backbone interact. energy: 0.278 local terms energy: -825.467570 where: bonds (distance) C4'-P energy: -157.646 bonds (distance) P-C4' energy: -158.233 flat angles C4'-P-C4' energy: -178.033 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -210.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2363.124619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.124619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.124619 (E_RNA) where: Base-Base interactions energy: -1572.167 where: short stacking energy: -705.688 Base-Backbone interact. energy: -0.264 local terms energy: -790.693564 where: bonds (distance) C4'-P energy: -162.372 bonds (distance) P-C4' energy: -159.047 flat angles C4'-P-C4' energy: -168.391 flat angles P-C4'-P energy: -105.576 tors. eta vs tors. theta energy: -195.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2212.258440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.258440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.258440 (E_RNA) where: Base-Base interactions energy: -1497.622 where: short stacking energy: -644.785 Base-Backbone interact. energy: -5.394 local terms energy: -709.241594 where: bonds (distance) C4'-P energy: -129.464 bonds (distance) P-C4' energy: -135.368 flat angles C4'-P-C4' energy: -163.445 flat angles P-C4'-P energy: -97.253 tors. eta vs tors. theta energy: -183.711 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: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1843.368497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.368497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.368497 (E_RNA) where: Base-Base interactions energy: -1212.222 where: short stacking energy: -529.511 Base-Backbone interact. energy: 3.802 local terms energy: -634.948411 where: bonds (distance) C4'-P energy: -146.526 bonds (distance) P-C4' energy: -141.007 flat angles C4'-P-C4' energy: -147.141 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -109.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1337.744712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.744712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.744712 (E_RNA) where: Base-Base interactions energy: -779.229 where: short stacking energy: -403.403 Base-Backbone interact. energy: -1.162 local terms energy: -557.354302 where: bonds (distance) C4'-P energy: -144.657 bonds (distance) P-C4' energy: -137.446 flat angles C4'-P-C4' energy: -126.587 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -62.109 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: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1242.379054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.379054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.379054 (E_RNA) where: Base-Base interactions energy: -719.024 where: short stacking energy: -359.490 Base-Backbone interact. energy: 0.636 local terms energy: -523.991389 where: bonds (distance) C4'-P energy: -120.869 bonds (distance) P-C4' energy: -141.120 flat angles C4'-P-C4' energy: -127.285 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -48.643 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: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1026.154908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.154908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.154908 (E_RNA) where: Base-Base interactions energy: -539.880 where: short stacking energy: -255.321 Base-Backbone interact. energy: -1.977 local terms energy: -484.297306 where: bonds (distance) C4'-P energy: -140.602 bonds (distance) P-C4' energy: -146.835 flat angles C4'-P-C4' energy: -109.376 flat angles P-C4'-P energy: -77.808 tors. eta vs tors. theta energy: -9.677 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: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -770.307961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.307961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.307961 (E_RNA) where: Base-Base interactions energy: -324.465 where: short stacking energy: -199.900 Base-Backbone interact. energy: 6.945 local terms energy: -452.787518 where: bonds (distance) C4'-P energy: -140.530 bonds (distance) P-C4' energy: -130.969 flat angles C4'-P-C4' energy: -129.407 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: 11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2711.161364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.161364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.161364 (E_RNA) where: Base-Base interactions energy: -1863.614 where: short stacking energy: -779.089 Base-Backbone interact. energy: -0.576 local terms energy: -846.971535 where: bonds (distance) C4'-P energy: -156.482 bonds (distance) P-C4' energy: -171.854 flat angles C4'-P-C4' energy: -180.802 flat angles P-C4'-P energy: -121.949 tors. eta vs tors. theta energy: -215.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2519.576687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.576687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.576687 (E_RNA) where: Base-Base interactions energy: -1719.910 where: short stacking energy: -716.010 Base-Backbone interact. energy: 1.208 local terms energy: -800.875104 where: bonds (distance) C4'-P energy: -156.204 bonds (distance) P-C4' energy: -169.274 flat angles C4'-P-C4' energy: -166.600 flat angles P-C4'-P energy: -123.782 tors. eta vs tors. theta energy: -185.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2415.172235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.172235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.172235 (E_RNA) where: Base-Base interactions energy: -1621.706 where: short stacking energy: -710.363 Base-Backbone interact. energy: -0.224 local terms energy: -793.242016 where: bonds (distance) C4'-P energy: -150.506 bonds (distance) P-C4' energy: -147.751 flat angles C4'-P-C4' energy: -187.127 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -198.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2384.489055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.489055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.489055 (E_RNA) where: Base-Base interactions energy: -1587.190 where: short stacking energy: -699.343 Base-Backbone interact. energy: 0.977 local terms energy: -798.276207 where: bonds (distance) C4'-P energy: -154.419 bonds (distance) P-C4' energy: -144.595 flat angles C4'-P-C4' energy: -173.791 flat angles P-C4'-P energy: -117.430 tors. eta vs tors. theta energy: -208.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2201.523809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.523809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.523809 (E_RNA) where: Base-Base interactions energy: -1472.616 where: short stacking energy: -636.574 Base-Backbone interact. energy: -0.953 local terms energy: -727.954547 where: bonds (distance) C4'-P energy: -142.467 bonds (distance) P-C4' energy: -167.086 flat angles C4'-P-C4' energy: -146.445 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -177.865 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: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1825.497575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.497575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.497575 (E_RNA) where: Base-Base interactions energy: -1139.390 where: short stacking energy: -507.586 Base-Backbone interact. energy: -4.293 local terms energy: -681.815134 where: bonds (distance) C4'-P energy: -146.761 bonds (distance) P-C4' energy: -161.728 flat angles C4'-P-C4' energy: -145.891 flat angles P-C4'-P energy: -100.805 tors. eta vs tors. theta energy: -126.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1363.232986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.232986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.232986 (E_RNA) where: Base-Base interactions energy: -796.321 where: short stacking energy: -384.996 Base-Backbone interact. energy: -0.086 local terms energy: -566.826276 where: bonds (distance) C4'-P energy: -143.665 bonds (distance) P-C4' energy: -134.902 flat angles C4'-P-C4' energy: -141.683 flat angles P-C4'-P energy: -92.453 tors. eta vs tors. theta energy: -54.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1321.003810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.003810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.003810 (E_RNA) where: Base-Base interactions energy: -795.313 where: short stacking energy: -382.093 Base-Backbone interact. energy: -3.178 local terms energy: -522.511961 where: bonds (distance) C4'-P energy: -129.190 bonds (distance) P-C4' energy: -121.167 flat angles C4'-P-C4' energy: -147.360 flat angles P-C4'-P energy: -71.522 tors. eta vs tors. theta energy: -53.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -949.734934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.734934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.734934 (E_RNA) where: Base-Base interactions energy: -509.394 where: short stacking energy: -271.550 Base-Backbone interact. energy: -1.912 local terms energy: -438.429137 where: bonds (distance) C4'-P energy: -122.994 bonds (distance) P-C4' energy: -137.957 flat angles C4'-P-C4' energy: -115.752 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -9.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -733.075639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.075639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.075639 (E_RNA) where: Base-Base interactions energy: -335.957 where: short stacking energy: -203.199 Base-Backbone interact. energy: -2.204 local terms energy: -394.914572 where: bonds (distance) C4'-P energy: -128.849 bonds (distance) P-C4' energy: -119.905 flat angles C4'-P-C4' energy: -119.845 flat angles P-C4'-P energy: -43.382 tors. eta vs tors. theta energy: 17.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2690.552877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.552877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.552877 (E_RNA) where: Base-Base interactions energy: -1829.351 where: short stacking energy: -802.519 Base-Backbone interact. energy: -0.438 local terms energy: -860.764314 where: bonds (distance) C4'-P energy: -162.800 bonds (distance) P-C4' energy: -174.324 flat angles C4'-P-C4' energy: -188.734 flat angles P-C4'-P energy: -116.079 tors. eta vs tors. theta energy: -218.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2506.199886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.199886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.199886 (E_RNA) where: Base-Base interactions energy: -1683.075 where: short stacking energy: -752.637 Base-Backbone interact. energy: 5.587 local terms energy: -828.711617 where: bonds (distance) C4'-P energy: -164.566 bonds (distance) P-C4' energy: -161.845 flat angles C4'-P-C4' energy: -176.101 flat angles P-C4'-P energy: -122.299 tors. eta vs tors. theta energy: -203.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2472.518081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.518081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.518081 (E_RNA) where: Base-Base interactions energy: -1658.247 where: short stacking energy: -748.062 Base-Backbone interact. energy: -1.147 local terms energy: -813.124675 where: bonds (distance) C4'-P energy: -145.822 bonds (distance) P-C4' energy: -154.495 flat angles C4'-P-C4' energy: -179.795 flat angles P-C4'-P energy: -112.753 tors. eta vs tors. theta energy: -220.260 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: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2385.791090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.791090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.791090 (E_RNA) where: Base-Base interactions energy: -1603.044 where: short stacking energy: -726.415 Base-Backbone interact. energy: -0.687 local terms energy: -782.059376 where: bonds (distance) C4'-P energy: -145.931 bonds (distance) P-C4' energy: -148.731 flat angles C4'-P-C4' energy: -168.366 flat angles P-C4'-P energy: -114.998 tors. eta vs tors. theta energy: -204.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2277.813635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.813635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.813635 (E_RNA) where: Base-Base interactions energy: -1530.789 where: short stacking energy: -652.014 Base-Backbone interact. energy: 0.035 local terms energy: -747.060112 where: bonds (distance) C4'-P energy: -144.303 bonds (distance) P-C4' energy: -149.200 flat angles C4'-P-C4' energy: -164.255 flat angles P-C4'-P energy: -109.766 tors. eta vs tors. theta energy: -179.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1774.164793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.164793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.164793 (E_RNA) where: Base-Base interactions energy: -1125.954 where: short stacking energy: -483.739 Base-Backbone interact. energy: -2.458 local terms energy: -645.753138 where: bonds (distance) C4'-P energy: -143.832 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -142.686 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -120.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1433.914378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.914378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.914378 (E_RNA) where: Base-Base interactions energy: -867.481 where: short stacking energy: -391.972 Base-Backbone interact. energy: -1.701 local terms energy: -564.733045 where: bonds (distance) C4'-P energy: -146.209 bonds (distance) P-C4' energy: -141.222 flat angles C4'-P-C4' energy: -134.965 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -68.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1289.271873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.271873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.271873 (E_RNA) where: Base-Base interactions energy: -740.555 where: short stacking energy: -395.276 Base-Backbone interact. energy: -0.448 local terms energy: -548.269066 where: bonds (distance) C4'-P energy: -125.692 bonds (distance) P-C4' energy: -155.501 flat angles C4'-P-C4' energy: -121.744 flat angles P-C4'-P energy: -94.875 tors. eta vs tors. theta energy: -50.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -923.883775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.883775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.883775 (E_RNA) where: Base-Base interactions energy: -455.777 where: short stacking energy: -272.368 Base-Backbone interact. energy: -1.275 local terms energy: -466.831900 where: bonds (distance) C4'-P energy: -125.999 bonds (distance) P-C4' energy: -136.151 flat angles C4'-P-C4' energy: -135.396 flat angles P-C4'-P energy: -62.861 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -800.527783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.527783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.527783 (E_RNA) where: Base-Base interactions energy: -386.044 where: short stacking energy: -220.276 Base-Backbone interact. energy: -0.070 local terms energy: -414.413996 where: bonds (distance) C4'-P energy: -126.564 bonds (distance) P-C4' energy: -136.339 flat angles C4'-P-C4' energy: -108.484 flat angles P-C4'-P energy: -60.560 tors. eta vs tors. theta energy: 17.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2707.174250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.174250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.174250 (E_RNA) where: Base-Base interactions energy: -1840.603 where: short stacking energy: -816.410 Base-Backbone interact. energy: -6.786 local terms energy: -859.785545 where: bonds (distance) C4'-P energy: -151.853 bonds (distance) P-C4' energy: -168.078 flat angles C4'-P-C4' energy: -197.735 flat angles P-C4'-P energy: -116.078 tors. eta vs tors. theta energy: -226.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2553.342823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.342823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.342823 (E_RNA) where: Base-Base interactions energy: -1717.496 where: short stacking energy: -770.262 Base-Backbone interact. energy: -2.153 local terms energy: -833.693923 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -169.260 flat angles C4'-P-C4' energy: -189.736 flat angles P-C4'-P energy: -110.734 tors. eta vs tors. theta energy: -223.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2427.735939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.735939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.735939 (E_RNA) where: Base-Base interactions energy: -1627.202 where: short stacking energy: -726.017 Base-Backbone interact. energy: -3.279 local terms energy: -797.255054 where: bonds (distance) C4'-P energy: -156.571 bonds (distance) P-C4' energy: -161.806 flat angles C4'-P-C4' energy: -185.283 flat angles P-C4'-P energy: -110.492 tors. eta vs tors. theta energy: -183.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2363.580198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.580198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.580198 (E_RNA) where: Base-Base interactions energy: -1585.773 where: short stacking energy: -713.175 Base-Backbone interact. energy: -1.614 local terms energy: -776.192226 where: bonds (distance) C4'-P energy: -140.490 bonds (distance) P-C4' energy: -162.406 flat angles C4'-P-C4' energy: -166.440 flat angles P-C4'-P energy: -103.727 tors. eta vs tors. theta energy: -203.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2276.938027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.938027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.938027 (E_RNA) where: Base-Base interactions energy: -1533.417 where: short stacking energy: -662.212 Base-Backbone interact. energy: -4.122 local terms energy: -739.399167 where: bonds (distance) C4'-P energy: -149.867 bonds (distance) P-C4' energy: -147.936 flat angles C4'-P-C4' energy: -167.717 flat angles P-C4'-P energy: -106.797 tors. eta vs tors. theta energy: -167.081 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: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1740.753942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.753942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.753942 (E_RNA) where: Base-Base interactions energy: -1069.228 where: short stacking energy: -507.272 Base-Backbone interact. energy: -5.189 local terms energy: -666.336773 where: bonds (distance) C4'-P energy: -137.051 bonds (distance) P-C4' energy: -165.362 flat angles C4'-P-C4' energy: -151.893 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -123.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1469.929473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.929473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.929473 (E_RNA) where: Base-Base interactions energy: -871.259 where: short stacking energy: -446.881 Base-Backbone interact. energy: -3.520 local terms energy: -595.150016 where: bonds (distance) C4'-P energy: -132.494 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -146.930 flat angles P-C4'-P energy: -97.332 tors. eta vs tors. theta energy: -72.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1341.955395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.955395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.955395 (E_RNA) where: Base-Base interactions energy: -790.523 where: short stacking energy: -379.674 Base-Backbone interact. energy: 0.400 local terms energy: -551.832336 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -126.940 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -46.294 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: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -925.511338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.511338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.511338 (E_RNA) where: Base-Base interactions energy: -471.656 where: short stacking energy: -263.151 Base-Backbone interact. energy: -2.230 local terms energy: -451.625344 where: bonds (distance) C4'-P energy: -139.579 bonds (distance) P-C4' energy: -146.491 flat angles C4'-P-C4' energy: -83.953 flat angles P-C4'-P energy: -81.010 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: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -705.542852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.542852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.542852 (E_RNA) where: Base-Base interactions energy: -302.818 where: short stacking energy: -188.383 Base-Backbone interact. energy: 4.454 local terms energy: -407.178311 where: bonds (distance) C4'-P energy: -136.230 bonds (distance) P-C4' energy: -134.392 flat angles C4'-P-C4' energy: -105.769 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: 25.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2714.444650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.444650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.444650 (E_RNA) where: Base-Base interactions energy: -1866.040 where: short stacking energy: -782.343 Base-Backbone interact. energy: -8.208 local terms energy: -840.196803 where: bonds (distance) C4'-P energy: -166.994 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -190.490 flat angles P-C4'-P energy: -114.312 tors. eta vs tors. theta energy: -217.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2592.774271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.774271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.774271 (E_RNA) where: Base-Base interactions energy: -1733.796 where: short stacking energy: -756.896 Base-Backbone interact. energy: -3.907 local terms energy: -855.071331 where: bonds (distance) C4'-P energy: -152.149 bonds (distance) P-C4' energy: -168.131 flat angles C4'-P-C4' energy: -176.708 flat angles P-C4'-P energy: -138.863 tors. eta vs tors. theta energy: -219.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2391.863393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.863393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.863393 (E_RNA) where: Base-Base interactions energy: -1599.604 where: short stacking energy: -698.569 Base-Backbone interact. energy: -4.675 local terms energy: -787.585015 where: bonds (distance) C4'-P energy: -146.403 bonds (distance) P-C4' energy: -162.772 flat angles C4'-P-C4' energy: -166.102 flat angles P-C4'-P energy: -117.896 tors. eta vs tors. theta energy: -194.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2390.290264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.290264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.290264 (E_RNA) where: Base-Base interactions energy: -1609.197 where: short stacking energy: -686.896 Base-Backbone interact. energy: -4.726 local terms energy: -776.366743 where: bonds (distance) C4'-P energy: -127.507 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -167.292 flat angles P-C4'-P energy: -123.225 tors. eta vs tors. theta energy: -207.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2306.888053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.888053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.888053 (E_RNA) where: Base-Base interactions energy: -1569.062 where: short stacking energy: -686.662 Base-Backbone interact. energy: -3.950 local terms energy: -733.876864 where: bonds (distance) C4'-P energy: -129.251 bonds (distance) P-C4' energy: -155.325 flat angles C4'-P-C4' energy: -168.276 flat angles P-C4'-P energy: -102.242 tors. eta vs tors. theta energy: -178.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1731.910546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.910546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.910546 (E_RNA) where: Base-Base interactions energy: -1107.961 where: short stacking energy: -465.705 Base-Backbone interact. energy: -4.028 local terms energy: -619.921027 where: bonds (distance) C4'-P energy: -139.906 bonds (distance) P-C4' energy: -163.501 flat angles C4'-P-C4' energy: -152.082 flat angles P-C4'-P energy: -65.265 tors. eta vs tors. theta energy: -99.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1398.835871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.835871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.835871 (E_RNA) where: Base-Base interactions energy: -835.170 where: short stacking energy: -418.897 Base-Backbone interact. energy: -1.114 local terms energy: -562.551505 where: bonds (distance) C4'-P energy: -125.782 bonds (distance) P-C4' energy: -143.325 flat angles C4'-P-C4' energy: -144.382 flat angles P-C4'-P energy: -85.064 tors. eta vs tors. theta energy: -63.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1289.497892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.497892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.497892 (E_RNA) where: Base-Base interactions energy: -763.985 where: short stacking energy: -377.913 Base-Backbone interact. energy: 1.325 local terms energy: -526.838672 where: bonds (distance) C4'-P energy: -120.208 bonds (distance) P-C4' energy: -152.578 flat angles C4'-P-C4' energy: -147.507 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: -30.730 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: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -943.647119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.647119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.647119 (E_RNA) where: Base-Base interactions energy: -493.893 where: short stacking energy: -257.016 Base-Backbone interact. energy: 4.466 local terms energy: -454.220693 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -150.558 flat angles C4'-P-C4' energy: -116.597 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: 1.788 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: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -776.258661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.258661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.258661 (E_RNA) where: Base-Base interactions energy: -344.711 where: short stacking energy: -233.868 Base-Backbone interact. energy: -0.156 local terms energy: -431.391174 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -130.781 flat angles C4'-P-C4' energy: -117.189 flat angles P-C4'-P energy: -56.483 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2776.637269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.637269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.637269 (E_RNA) where: Base-Base interactions energy: -1925.249 where: short stacking energy: -828.501 Base-Backbone interact. energy: -8.254 local terms energy: -843.135159 where: bonds (distance) C4'-P energy: -157.193 bonds (distance) P-C4' energy: -156.282 flat angles C4'-P-C4' energy: -193.292 flat angles P-C4'-P energy: -114.399 tors. eta vs tors. theta energy: -221.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2584.507255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.507255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.507255 (E_RNA) where: Base-Base interactions energy: -1759.494 where: short stacking energy: -775.298 Base-Backbone interact. energy: -0.073 local terms energy: -824.939921 where: bonds (distance) C4'-P energy: -139.760 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -188.385 flat angles P-C4'-P energy: -114.604 tors. eta vs tors. theta energy: -223.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2373.296811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.296811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.296811 (E_RNA) where: Base-Base interactions energy: -1603.025 where: short stacking energy: -677.300 Base-Backbone interact. energy: -1.282 local terms energy: -768.989893 where: bonds (distance) C4'-P energy: -154.346 bonds (distance) P-C4' energy: -144.344 flat angles C4'-P-C4' energy: -181.858 flat angles P-C4'-P energy: -112.008 tors. eta vs tors. theta energy: -176.434 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: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2367.060087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.060087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.060087 (E_RNA) where: Base-Base interactions energy: -1578.725 where: short stacking energy: -686.517 Base-Backbone interact. energy: -2.662 local terms energy: -785.672745 where: bonds (distance) C4'-P energy: -162.601 bonds (distance) P-C4' energy: -158.307 flat angles C4'-P-C4' energy: -166.172 flat angles P-C4'-P energy: -107.267 tors. eta vs tors. theta energy: -191.327 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: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2357.694094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.694094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.694094 (E_RNA) where: Base-Base interactions energy: -1592.955 where: short stacking energy: -684.018 Base-Backbone interact. energy: 0.947 local terms energy: -765.686167 where: bonds (distance) C4'-P energy: -145.351 bonds (distance) P-C4' energy: -157.796 flat angles C4'-P-C4' energy: -164.377 flat angles P-C4'-P energy: -108.050 tors. eta vs tors. theta energy: -190.113 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: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1810.001344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.001344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.001344 (E_RNA) where: Base-Base interactions energy: -1170.578 where: short stacking energy: -512.941 Base-Backbone interact. energy: -1.110 local terms energy: -638.313393 where: bonds (distance) C4'-P energy: -134.172 bonds (distance) P-C4' energy: -135.113 flat angles C4'-P-C4' energy: -157.936 flat angles P-C4'-P energy: -101.886 tors. eta vs tors. theta energy: -109.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1426.269514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.269514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.269514 (E_RNA) where: Base-Base interactions energy: -840.343 where: short stacking energy: -387.990 Base-Backbone interact. energy: -1.825 local terms energy: -584.100801 where: bonds (distance) C4'-P energy: -138.794 bonds (distance) P-C4' energy: -175.373 flat angles C4'-P-C4' energy: -113.213 flat angles P-C4'-P energy: -88.643 tors. eta vs tors. theta energy: -68.078 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: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1311.619021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.619021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.619021 (E_RNA) where: Base-Base interactions energy: -768.723 where: short stacking energy: -404.682 Base-Backbone interact. energy: 5.682 local terms energy: -548.578500 where: bonds (distance) C4'-P energy: -104.432 bonds (distance) P-C4' energy: -149.664 flat angles C4'-P-C4' energy: -131.930 flat angles P-C4'-P energy: -78.605 tors. eta vs tors. theta energy: -83.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -938.887060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.887060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.887060 (E_RNA) where: Base-Base interactions energy: -486.605 where: short stacking energy: -255.524 Base-Backbone interact. energy: 5.488 local terms energy: -457.769279 where: bonds (distance) C4'-P energy: -137.111 bonds (distance) P-C4' energy: -144.239 flat angles C4'-P-C4' energy: -122.647 flat angles P-C4'-P energy: -67.013 tors. eta vs tors. theta energy: 13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -724.857099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.857099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.857099 (E_RNA) where: Base-Base interactions energy: -299.978 where: short stacking energy: -203.786 Base-Backbone interact. energy: 14.953 local terms energy: -439.831621 where: bonds (distance) C4'-P energy: -140.768 bonds (distance) P-C4' energy: -120.904 flat angles C4'-P-C4' energy: -124.973 flat angles P-C4'-P energy: -67.740 tors. eta vs tors. theta energy: 14.553 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: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2777.364022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.364022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.364022 (E_RNA) where: Base-Base interactions energy: -1915.705 where: short stacking energy: -802.101 Base-Backbone interact. energy: -1.714 local terms energy: -859.944904 where: bonds (distance) C4'-P energy: -166.767 bonds (distance) P-C4' energy: -160.009 flat angles C4'-P-C4' energy: -178.029 flat angles P-C4'-P energy: -137.807 tors. eta vs tors. theta energy: -217.333 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2596.738502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.738502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.738502 (E_RNA) where: Base-Base interactions energy: -1718.931 where: short stacking energy: -778.004 Base-Backbone interact. energy: -0.393 local terms energy: -877.414995 where: bonds (distance) C4'-P energy: -158.223 bonds (distance) P-C4' energy: -175.863 flat angles C4'-P-C4' energy: -194.034 flat angles P-C4'-P energy: -116.962 tors. eta vs tors. theta energy: -232.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2460.162450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.162450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.162450 (E_RNA) where: Base-Base interactions energy: -1679.410 where: short stacking energy: -692.529 Base-Backbone interact. energy: -4.454 local terms energy: -776.298793 where: bonds (distance) C4'-P energy: -161.690 bonds (distance) P-C4' energy: -150.567 flat angles C4'-P-C4' energy: -179.923 flat angles P-C4'-P energy: -88.628 tors. eta vs tors. theta energy: -195.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2321.289412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.289412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.289412 (E_RNA) where: Base-Base interactions energy: -1557.565 where: short stacking energy: -671.404 Base-Backbone interact. energy: -2.945 local terms energy: -760.779984 where: bonds (distance) C4'-P energy: -140.233 bonds (distance) P-C4' energy: -159.022 flat angles C4'-P-C4' energy: -172.217 flat angles P-C4'-P energy: -109.170 tors. eta vs tors. theta energy: -180.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2317.214930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.214930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.214930 (E_RNA) where: Base-Base interactions energy: -1575.069 where: short stacking energy: -679.057 Base-Backbone interact. energy: -1.831 local terms energy: -740.314727 where: bonds (distance) C4'-P energy: -156.152 bonds (distance) P-C4' energy: -142.234 flat angles C4'-P-C4' energy: -162.946 flat angles P-C4'-P energy: -97.827 tors. eta vs tors. theta energy: -181.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1788.931451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.931451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.931451 (E_RNA) where: Base-Base interactions energy: -1170.193 where: short stacking energy: -539.838 Base-Backbone interact. energy: 0.486 local terms energy: -619.224485 where: bonds (distance) C4'-P energy: -133.899 bonds (distance) P-C4' energy: -142.511 flat angles C4'-P-C4' energy: -145.813 flat angles P-C4'-P energy: -77.619 tors. eta vs tors. theta energy: -119.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1446.410811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.410811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.410811 (E_RNA) where: Base-Base interactions energy: -865.511 where: short stacking energy: -426.738 Base-Backbone interact. energy: -2.349 local terms energy: -578.550970 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -153.995 flat angles C4'-P-C4' energy: -125.319 flat angles P-C4'-P energy: -84.537 tors. eta vs tors. theta energy: -75.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1282.982480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.982480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.982480 (E_RNA) where: Base-Base interactions energy: -718.892 where: short stacking energy: -369.056 Base-Backbone interact. energy: 1.278 local terms energy: -565.368071 where: bonds (distance) C4'-P energy: -143.713 bonds (distance) P-C4' energy: -141.245 flat angles C4'-P-C4' energy: -153.348 flat angles P-C4'-P energy: -66.010 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: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -933.080368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.080368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.080368 (E_RNA) where: Base-Base interactions energy: -461.775 where: short stacking energy: -247.542 Base-Backbone interact. energy: -2.794 local terms energy: -468.511733 where: bonds (distance) C4'-P energy: -142.541 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -124.456 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: 18.505 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: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -701.436570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.436570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.436570 (E_RNA) where: Base-Base interactions energy: -265.802 where: short stacking energy: -200.283 Base-Backbone interact. energy: 2.949 local terms energy: -438.583094 where: bonds (distance) C4'-P energy: -111.425 bonds (distance) P-C4' energy: -143.325 flat angles C4'-P-C4' energy: -128.090 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: 22.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2697.463574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.463574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.463574 (E_RNA) where: Base-Base interactions energy: -1825.805 where: short stacking energy: -787.361 Base-Backbone interact. energy: -1.890 local terms energy: -869.768707 where: bonds (distance) C4'-P energy: -164.276 bonds (distance) P-C4' energy: -173.880 flat angles C4'-P-C4' energy: -192.843 flat angles P-C4'-P energy: -128.964 tors. eta vs tors. theta energy: -209.806 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: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2618.515543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.515543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.515543 (E_RNA) where: Base-Base interactions energy: -1745.550 where: short stacking energy: -786.048 Base-Backbone interact. energy: -0.837 local terms energy: -872.128479 where: bonds (distance) C4'-P energy: -159.217 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -187.706 flat angles P-C4'-P energy: -125.879 tors. eta vs tors. theta energy: -244.151 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: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2474.841607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.841607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.841607 (E_RNA) where: Base-Base interactions energy: -1700.576 where: short stacking energy: -693.103 Base-Backbone interact. energy: 3.240 local terms energy: -777.506110 where: bonds (distance) C4'-P energy: -161.784 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -158.580 flat angles P-C4'-P energy: -99.692 tors. eta vs tors. theta energy: -193.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2416.604003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.604003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.604003 (E_RNA) where: Base-Base interactions energy: -1656.546 where: short stacking energy: -710.853 Base-Backbone interact. energy: -0.708 local terms energy: -759.349781 where: bonds (distance) C4'-P energy: -142.601 bonds (distance) P-C4' energy: -142.566 flat angles C4'-P-C4' energy: -168.295 flat angles P-C4'-P energy: -100.376 tors. eta vs tors. theta energy: -205.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2231.543272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.543272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.543272 (E_RNA) where: Base-Base interactions energy: -1503.587 where: short stacking energy: -636.106 Base-Backbone interact. energy: -3.395 local terms energy: -724.560804 where: bonds (distance) C4'-P energy: -147.492 bonds (distance) P-C4' energy: -148.797 flat angles C4'-P-C4' energy: -148.228 flat angles P-C4'-P energy: -104.214 tors. eta vs tors. theta energy: -175.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1812.643529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.643529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.643529 (E_RNA) where: Base-Base interactions energy: -1116.278 where: short stacking energy: -506.000 Base-Backbone interact. energy: -3.492 local terms energy: -692.873474 where: bonds (distance) C4'-P energy: -150.769 bonds (distance) P-C4' energy: -150.953 flat angles C4'-P-C4' energy: -170.317 flat angles P-C4'-P energy: -102.346 tors. eta vs tors. theta energy: -118.488 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: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1383.535075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.535075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.535075 (E_RNA) where: Base-Base interactions energy: -801.095 where: short stacking energy: -357.410 Base-Backbone interact. energy: -2.466 local terms energy: -579.973586 where: bonds (distance) C4'-P energy: -152.330 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -94.098 tors. eta vs tors. theta energy: -50.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1271.041581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.041581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.041581 (E_RNA) where: Base-Base interactions energy: -726.647 where: short stacking energy: -378.303 Base-Backbone interact. energy: 1.359 local terms energy: -545.753507 where: bonds (distance) C4'-P energy: -132.621 bonds (distance) P-C4' energy: -133.251 flat angles C4'-P-C4' energy: -146.563 flat angles P-C4'-P energy: -88.468 tors. eta vs tors. theta energy: -44.849 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: 87 Temperature: 1.300000 Total energy: -957.662623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.662623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.662623 (E_RNA) where: Base-Base interactions energy: -483.397 where: short stacking energy: -277.985 Base-Backbone interact. energy: 3.420 local terms energy: -477.685515 where: bonds (distance) C4'-P energy: -131.477 bonds (distance) P-C4' energy: -130.803 flat angles C4'-P-C4' energy: -107.916 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -20.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -720.165719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.165719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.165719 (E_RNA) where: Base-Base interactions energy: -298.658 where: short stacking energy: -217.900 Base-Backbone interact. energy: -1.785 local terms energy: -419.722747 where: bonds (distance) C4'-P energy: -125.688 bonds (distance) P-C4' energy: -133.739 flat angles C4'-P-C4' energy: -101.114 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2703.093459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.093459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.093459 (E_RNA) where: Base-Base interactions energy: -1848.197 where: short stacking energy: -765.310 Base-Backbone interact. energy: -6.160 local terms energy: -848.735698 where: bonds (distance) C4'-P energy: -160.568 bonds (distance) P-C4' energy: -167.226 flat angles C4'-P-C4' energy: -176.019 flat angles P-C4'-P energy: -121.124 tors. eta vs tors. theta energy: -223.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2602.122822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.122822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.122822 (E_RNA) where: Base-Base interactions energy: -1740.146 where: short stacking energy: -798.077 Base-Backbone interact. energy: -3.373 local terms energy: -858.604131 where: bonds (distance) C4'-P energy: -156.499 bonds (distance) P-C4' energy: -169.747 flat angles C4'-P-C4' energy: -198.388 flat angles P-C4'-P energy: -100.617 tors. eta vs tors. theta energy: -233.353 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: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2448.074548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.074548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.074548 (E_RNA) where: Base-Base interactions energy: -1670.793 where: short stacking energy: -702.299 Base-Backbone interact. energy: -5.110 local terms energy: -772.171551 where: bonds (distance) C4'-P energy: -151.451 bonds (distance) P-C4' energy: -143.918 flat angles C4'-P-C4' energy: -161.143 flat angles P-C4'-P energy: -123.069 tors. eta vs tors. theta energy: -192.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2430.030749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.030749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.030749 (E_RNA) where: Base-Base interactions energy: -1648.641 where: short stacking energy: -679.751 Base-Backbone interact. energy: -2.799 local terms energy: -778.591081 where: bonds (distance) C4'-P energy: -152.514 bonds (distance) P-C4' energy: -146.262 flat angles C4'-P-C4' energy: -175.049 flat angles P-C4'-P energy: -115.871 tors. eta vs tors. theta energy: -188.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2154.932615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.932615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.932615 (E_RNA) where: Base-Base interactions energy: -1428.175 where: short stacking energy: -620.484 Base-Backbone interact. energy: -2.905 local terms energy: -723.853188 where: bonds (distance) C4'-P energy: -154.348 bonds (distance) P-C4' energy: -138.783 flat angles C4'-P-C4' energy: -176.643 flat angles P-C4'-P energy: -80.613 tors. eta vs tors. theta energy: -173.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1840.521232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.521232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.521232 (E_RNA) where: Base-Base interactions energy: -1181.252 where: short stacking energy: -532.616 Base-Backbone interact. energy: 0.610 local terms energy: -659.879430 where: bonds (distance) C4'-P energy: -146.957 bonds (distance) P-C4' energy: -142.026 flat angles C4'-P-C4' energy: -163.365 flat angles P-C4'-P energy: -93.095 tors. eta vs tors. theta energy: -114.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1438.436555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.436555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.436555 (E_RNA) where: Base-Base interactions energy: -844.012 where: short stacking energy: -409.959 Base-Backbone interact. energy: -2.313 local terms energy: -592.111281 where: bonds (distance) C4'-P energy: -148.467 bonds (distance) P-C4' energy: -151.347 flat angles C4'-P-C4' energy: -132.362 flat angles P-C4'-P energy: -95.653 tors. eta vs tors. theta energy: -64.282 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: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1336.593258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.593258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.593258 (E_RNA) where: Base-Base interactions energy: -769.518 where: short stacking energy: -393.552 Base-Backbone interact. energy: -3.738 local terms energy: -563.337439 where: bonds (distance) C4'-P energy: -112.270 bonds (distance) P-C4' energy: -148.883 flat angles C4'-P-C4' energy: -132.577 flat angles P-C4'-P energy: -91.051 tors. eta vs tors. theta energy: -78.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -985.084519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.084519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.084519 (E_RNA) where: Base-Base interactions energy: -540.351 where: short stacking energy: -277.341 Base-Backbone interact. energy: 6.066 local terms energy: -450.798825 where: bonds (distance) C4'-P energy: -98.057 bonds (distance) P-C4' energy: -154.488 flat angles C4'-P-C4' energy: -102.253 flat angles P-C4'-P energy: -79.101 tors. eta vs tors. theta energy: -16.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -731.274711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.274711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.274711 (E_RNA) where: Base-Base interactions energy: -314.959 where: short stacking energy: -238.056 Base-Backbone interact. energy: -1.821 local terms energy: -414.495111 where: bonds (distance) C4'-P energy: -115.786 bonds (distance) P-C4' energy: -127.233 flat angles C4'-P-C4' energy: -113.129 flat angles P-C4'-P energy: -59.427 tors. eta vs tors. theta energy: 1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2721.775223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.775223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.775223 (E_RNA) where: Base-Base interactions energy: -1861.576 where: short stacking energy: -796.151 Base-Backbone interact. energy: -2.574 local terms energy: -857.625660 where: bonds (distance) C4'-P energy: -162.692 bonds (distance) P-C4' energy: -177.756 flat angles C4'-P-C4' energy: -184.096 flat angles P-C4'-P energy: -116.334 tors. eta vs tors. theta energy: -216.748 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: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2618.875201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.875201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.875201 (E_RNA) where: Base-Base interactions energy: -1776.384 where: short stacking energy: -795.782 Base-Backbone interact. energy: -0.639 local terms energy: -841.851280 where: bonds (distance) C4'-P energy: -160.213 bonds (distance) P-C4' energy: -155.119 flat angles C4'-P-C4' energy: -185.843 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -229.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2540.556666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.556666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.556666 (E_RNA) where: Base-Base interactions energy: -1708.908 where: short stacking energy: -745.443 Base-Backbone interact. energy: -0.501 local terms energy: -831.147641 where: bonds (distance) C4'-P energy: -171.600 bonds (distance) P-C4' energy: -160.355 flat angles C4'-P-C4' energy: -171.547 flat angles P-C4'-P energy: -127.050 tors. eta vs tors. theta energy: -200.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2392.727217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.727217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.727217 (E_RNA) where: Base-Base interactions energy: -1616.524 where: short stacking energy: -688.360 Base-Backbone interact. energy: -2.972 local terms energy: -773.230754 where: bonds (distance) C4'-P energy: -166.248 bonds (distance) P-C4' energy: -152.657 flat angles C4'-P-C4' energy: -168.829 flat angles P-C4'-P energy: -101.849 tors. eta vs tors. theta energy: -183.647 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: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2192.538965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.538965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.538965 (E_RNA) where: Base-Base interactions energy: -1479.628 where: short stacking energy: -632.193 Base-Backbone interact. energy: -1.331 local terms energy: -711.579329 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -147.583 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -104.890 tors. eta vs tors. theta energy: -155.488 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: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1834.004624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.004624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.004624 (E_RNA) where: Base-Base interactions energy: -1136.275 where: short stacking energy: -540.263 Base-Backbone interact. energy: -6.082 local terms energy: -691.648521 where: bonds (distance) C4'-P energy: -132.979 bonds (distance) P-C4' energy: -169.731 flat angles C4'-P-C4' energy: -161.748 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -131.715 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: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1493.356836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.356836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.356836 (E_RNA) where: Base-Base interactions energy: -918.008 where: short stacking energy: -427.097 Base-Backbone interact. energy: -0.057 local terms energy: -575.291961 where: bonds (distance) C4'-P energy: -129.896 bonds (distance) P-C4' energy: -123.865 flat angles C4'-P-C4' energy: -146.271 flat angles P-C4'-P energy: -93.351 tors. eta vs tors. theta energy: -81.909 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: 3 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1267.192012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.192012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.192012 (E_RNA) where: Base-Base interactions energy: -748.860 where: short stacking energy: -362.051 Base-Backbone interact. energy: -1.547 local terms energy: -516.784895 where: bonds (distance) C4'-P energy: -138.385 bonds (distance) P-C4' energy: -145.657 flat angles C4'-P-C4' energy: -108.053 flat angles P-C4'-P energy: -80.305 tors. eta vs tors. theta energy: -44.385 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: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1031.245469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.245469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.245469 (E_RNA) where: Base-Base interactions energy: -560.263 where: short stacking energy: -262.921 Base-Backbone interact. energy: 0.194 local terms energy: -471.176196 where: bonds (distance) C4'-P energy: -111.058 bonds (distance) P-C4' energy: -136.813 flat angles C4'-P-C4' energy: -136.431 flat angles P-C4'-P energy: -99.789 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: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -711.182818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.182818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.182818 (E_RNA) where: Base-Base interactions energy: -305.427 where: short stacking energy: -181.432 Base-Backbone interact. energy: -2.285 local terms energy: -403.470472 where: bonds (distance) C4'-P energy: -124.422 bonds (distance) P-C4' energy: -140.487 flat angles C4'-P-C4' energy: -121.803 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: 41.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2714.325601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.325601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.325601 (E_RNA) where: Base-Base interactions energy: -1852.054 where: short stacking energy: -791.113 Base-Backbone interact. energy: -6.260 local terms energy: -856.011662 where: bonds (distance) C4'-P energy: -153.676 bonds (distance) P-C4' energy: -180.256 flat angles C4'-P-C4' energy: -185.514 flat angles P-C4'-P energy: -115.041 tors. eta vs tors. theta energy: -221.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2643.943500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.943500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.943500 (E_RNA) where: Base-Base interactions energy: -1788.599 where: short stacking energy: -798.784 Base-Backbone interact. energy: -2.130 local terms energy: -853.213777 where: bonds (distance) C4'-P energy: -152.815 bonds (distance) P-C4' energy: -170.144 flat angles C4'-P-C4' energy: -180.925 flat angles P-C4'-P energy: -119.907 tors. eta vs tors. theta energy: -229.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2443.179930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.179930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.179930 (E_RNA) where: Base-Base interactions energy: -1682.786 where: short stacking energy: -699.330 Base-Backbone interact. energy: -3.647 local terms energy: -756.746880 where: bonds (distance) C4'-P energy: -157.016 bonds (distance) P-C4' energy: -145.308 flat angles C4'-P-C4' energy: -152.535 flat angles P-C4'-P energy: -108.287 tors. eta vs tors. theta energy: -193.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2401.154430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.154430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.154430 (E_RNA) where: Base-Base interactions energy: -1630.287 where: short stacking energy: -693.430 Base-Backbone interact. energy: -3.410 local terms energy: -767.457893 where: bonds (distance) C4'-P energy: -157.408 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -169.430 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -198.870 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: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2208.866754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.866754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.866754 (E_RNA) where: Base-Base interactions energy: -1472.870 where: short stacking energy: -630.440 Base-Backbone interact. energy: -5.234 local terms energy: -730.762223 where: bonds (distance) C4'-P energy: -149.902 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -173.048 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -153.426 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: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1840.466783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.466783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.466783 (E_RNA) where: Base-Base interactions energy: -1204.437 where: short stacking energy: -562.351 Base-Backbone interact. energy: 1.970 local terms energy: -637.999573 where: bonds (distance) C4'-P energy: -143.325 bonds (distance) P-C4' energy: -143.855 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -81.252 tors. eta vs tors. theta energy: -125.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1430.448700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.448700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.448700 (E_RNA) where: Base-Base interactions energy: -851.079 where: short stacking energy: -393.920 Base-Backbone interact. energy: -1.274 local terms energy: -578.096313 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -125.308 flat angles P-C4'-P energy: -103.605 tors. eta vs tors. theta energy: -56.327 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: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1289.581560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.581560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.581560 (E_RNA) where: Base-Base interactions energy: -761.091 where: short stacking energy: -403.396 Base-Backbone interact. energy: 1.382 local terms energy: -529.872373 where: bonds (distance) C4'-P energy: -141.427 bonds (distance) P-C4' energy: -119.083 flat angles C4'-P-C4' energy: -132.209 flat angles P-C4'-P energy: -70.089 tors. eta vs tors. theta energy: -67.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1026.743371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.743371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.743371 (E_RNA) where: Base-Base interactions energy: -545.835 where: short stacking energy: -270.867 Base-Backbone interact. energy: -2.950 local terms energy: -477.958504 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -149.290 flat angles C4'-P-C4' energy: -120.302 flat angles P-C4'-P energy: -54.187 tors. eta vs tors. theta energy: -24.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -740.712466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.712466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.712466 (E_RNA) where: Base-Base interactions energy: -322.315 where: short stacking energy: -214.084 Base-Backbone interact. energy: 2.995 local terms energy: -421.392238 where: bonds (distance) C4'-P energy: -137.431 bonds (distance) P-C4' energy: -123.321 flat angles C4'-P-C4' energy: -114.427 flat angles P-C4'-P energy: -66.882 tors. eta vs tors. theta energy: 20.668 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: 91 Temperature: 0.900000 Total energy: -2715.349437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.349437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.349437 (E_RNA) where: Base-Base interactions energy: -1865.446 where: short stacking energy: -776.190 Base-Backbone interact. energy: -6.602 local terms energy: -843.302138 where: bonds (distance) C4'-P energy: -150.061 bonds (distance) P-C4' energy: -165.749 flat angles C4'-P-C4' energy: -187.998 flat angles P-C4'-P energy: -122.520 tors. eta vs tors. theta energy: -216.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2646.996988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.996988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.996988 (E_RNA) where: Base-Base interactions energy: -1775.319 where: short stacking energy: -825.861 Base-Backbone interact. energy: -4.342 local terms energy: -867.335985 where: bonds (distance) C4'-P energy: -148.396 bonds (distance) P-C4' energy: -158.708 flat angles C4'-P-C4' energy: -188.525 flat angles P-C4'-P energy: -123.443 tors. eta vs tors. theta energy: -248.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2425.733065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.733065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.733065 (E_RNA) where: Base-Base interactions energy: -1638.749 where: short stacking energy: -697.024 Base-Backbone interact. energy: -4.793 local terms energy: -782.191388 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -158.096 flat angles C4'-P-C4' energy: -170.073 flat angles P-C4'-P energy: -109.019 tors. eta vs tors. theta energy: -199.042 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: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2406.645700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.645700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.645700 (E_RNA) where: Base-Base interactions energy: -1644.736 where: short stacking energy: -708.263 Base-Backbone interact. energy: -5.317 local terms energy: -756.592477 where: bonds (distance) C4'-P energy: -146.905 bonds (distance) P-C4' energy: -144.539 flat angles C4'-P-C4' energy: -168.279 flat angles P-C4'-P energy: -110.050 tors. eta vs tors. theta energy: -186.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2320.860310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.860310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.860310 (E_RNA) where: Base-Base interactions energy: -1538.748 where: short stacking energy: -636.269 Base-Backbone interact. energy: -1.803 local terms energy: -780.308937 where: bonds (distance) C4'-P energy: -148.872 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -166.941 flat angles P-C4'-P energy: -130.247 tors. eta vs tors. theta energy: -187.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1799.256052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.256052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.256052 (E_RNA) where: Base-Base interactions energy: -1131.317 where: short stacking energy: -494.102 Base-Backbone interact. energy: -1.292 local terms energy: -666.647322 where: bonds (distance) C4'-P energy: -149.458 bonds (distance) P-C4' energy: -166.653 flat angles C4'-P-C4' energy: -148.787 flat angles P-C4'-P energy: -79.902 tors. eta vs tors. theta energy: -121.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1490.951344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.951344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.951344 (E_RNA) where: Base-Base interactions energy: -952.766 where: short stacking energy: -431.920 Base-Backbone interact. energy: 2.827 local terms energy: -541.012170 where: bonds (distance) C4'-P energy: -128.892 bonds (distance) P-C4' energy: -115.563 flat angles C4'-P-C4' energy: -151.026 flat angles P-C4'-P energy: -88.326 tors. eta vs tors. theta energy: -57.204 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: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1226.566898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.566898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.566898 (E_RNA) where: Base-Base interactions energy: -703.444 where: short stacking energy: -342.285 Base-Backbone interact. energy: 5.711 local terms energy: -528.833584 where: bonds (distance) C4'-P energy: -136.107 bonds (distance) P-C4' energy: -154.931 flat angles C4'-P-C4' energy: -123.633 flat angles P-C4'-P energy: -86.008 tors. eta vs tors. theta energy: -28.154 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: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1050.706259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.706259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.706259 (E_RNA) where: Base-Base interactions energy: -573.571 where: short stacking energy: -314.699 Base-Backbone interact. energy: 2.718 local terms energy: -479.853232 where: bonds (distance) C4'-P energy: -125.726 bonds (distance) P-C4' energy: -128.665 flat angles C4'-P-C4' energy: -110.023 flat angles P-C4'-P energy: -80.348 tors. eta vs tors. theta energy: -35.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -752.328398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.328398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.328398 (E_RNA) where: Base-Base interactions energy: -336.782 where: short stacking energy: -220.539 Base-Backbone interact. energy: -5.060 local terms energy: -410.485829 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -123.034 flat angles C4'-P-C4' energy: -122.093 flat angles P-C4'-P energy: -78.483 tors. eta vs tors. theta energy: 29.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2751.002537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.002537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.002537 (E_RNA) where: Base-Base interactions energy: -1853.368 where: short stacking energy: -863.627 Base-Backbone interact. energy: 0.618 local terms energy: -898.252508 where: bonds (distance) C4'-P energy: -172.466 bonds (distance) P-C4' energy: -157.867 flat angles C4'-P-C4' energy: -195.034 flat angles P-C4'-P energy: -126.753 tors. eta vs tors. theta energy: -246.132 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: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2699.534308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.534308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.534308 (E_RNA) where: Base-Base interactions energy: -1860.802 where: short stacking energy: -772.896 Base-Backbone interact. energy: -1.900 local terms energy: -836.831616 where: bonds (distance) C4'-P energy: -167.325 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -183.809 flat angles P-C4'-P energy: -111.583 tors. eta vs tors. theta energy: -220.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2429.801607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.801607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.801607 (E_RNA) where: Base-Base interactions energy: -1655.781 where: short stacking energy: -707.863 Base-Backbone interact. energy: -3.748 local terms energy: -770.272676 where: bonds (distance) C4'-P energy: -144.662 bonds (distance) P-C4' energy: -157.627 flat angles C4'-P-C4' energy: -155.957 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -204.031 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: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2384.534239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.534239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.534239 (E_RNA) where: Base-Base interactions energy: -1607.173 where: short stacking energy: -662.657 Base-Backbone interact. energy: -0.262 local terms energy: -777.098483 where: bonds (distance) C4'-P energy: -165.539 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -177.753 flat angles P-C4'-P energy: -112.643 tors. eta vs tors. theta energy: -172.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2232.154968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.154968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.154968 (E_RNA) where: Base-Base interactions energy: -1515.182 where: short stacking energy: -634.763 Base-Backbone interact. energy: -0.475 local terms energy: -716.498102 where: bonds (distance) C4'-P energy: -155.718 bonds (distance) P-C4' energy: -145.200 flat angles C4'-P-C4' energy: -147.960 flat angles P-C4'-P energy: -89.285 tors. eta vs tors. theta energy: -178.334 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: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1810.076318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.076318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.076318 (E_RNA) where: Base-Base interactions energy: -1147.254 where: short stacking energy: -500.887 Base-Backbone interact. energy: 0.516 local terms energy: -663.338658 where: bonds (distance) C4'-P energy: -160.313 bonds (distance) P-C4' energy: -140.335 flat angles C4'-P-C4' energy: -125.895 flat angles P-C4'-P energy: -95.860 tors. eta vs tors. theta energy: -140.936 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: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1541.631084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.631084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.631084 (E_RNA) where: Base-Base interactions energy: -949.103 where: short stacking energy: -456.077 Base-Backbone interact. energy: 5.993 local terms energy: -598.521696 where: bonds (distance) C4'-P energy: -139.976 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -123.990 flat angles P-C4'-P energy: -107.376 tors. eta vs tors. theta energy: -75.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1294.939958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.939958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.939958 (E_RNA) where: Base-Base interactions energy: -734.877 where: short stacking energy: -370.618 Base-Backbone interact. energy: -2.743 local terms energy: -557.320695 where: bonds (distance) C4'-P energy: -133.718 bonds (distance) P-C4' energy: -158.188 flat angles C4'-P-C4' energy: -127.696 flat angles P-C4'-P energy: -78.713 tors. eta vs tors. theta energy: -59.005 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: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1121.555434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.555434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.555434 (E_RNA) where: Base-Base interactions energy: -618.279 where: short stacking energy: -296.123 Base-Backbone interact. energy: 4.946 local terms energy: -508.223079 where: bonds (distance) C4'-P energy: -153.052 bonds (distance) P-C4' energy: -131.724 flat angles C4'-P-C4' energy: -122.116 flat angles P-C4'-P energy: -86.846 tors. eta vs tors. theta energy: -14.485 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: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -720.700626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.700626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.700626 (E_RNA) where: Base-Base interactions energy: -291.998 where: short stacking energy: -186.211 Base-Backbone interact. energy: -0.017 local terms energy: -428.686525 where: bonds (distance) C4'-P energy: -141.832 bonds (distance) P-C4' energy: -143.011 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: 21.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2720.781836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.781836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.781836 (E_RNA) where: Base-Base interactions energy: -1860.957 where: short stacking energy: -836.420 Base-Backbone interact. energy: -3.933 local terms energy: -855.891678 where: bonds (distance) C4'-P energy: -156.733 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -185.225 flat angles P-C4'-P energy: -108.736 tors. eta vs tors. theta energy: -248.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2677.853402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.853402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.853402 (E_RNA) where: Base-Base interactions energy: -1851.204 where: short stacking energy: -768.925 Base-Backbone interact. energy: 0.938 local terms energy: -827.587264 where: bonds (distance) C4'-P energy: -155.156 bonds (distance) P-C4' energy: -145.762 flat angles C4'-P-C4' energy: -193.354 flat angles P-C4'-P energy: -118.563 tors. eta vs tors. theta energy: -214.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2474.453448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.453448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.453448 (E_RNA) where: Base-Base interactions energy: -1704.534 where: short stacking energy: -729.282 Base-Backbone interact. energy: -1.757 local terms energy: -768.162510 where: bonds (distance) C4'-P energy: -167.409 bonds (distance) P-C4' energy: -154.298 flat angles C4'-P-C4' energy: -158.393 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -195.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2401.547209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.547209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.547209 (E_RNA) where: Base-Base interactions energy: -1669.412 where: short stacking energy: -702.306 Base-Backbone interact. energy: -1.859 local terms energy: -730.275750 where: bonds (distance) C4'-P energy: -135.914 bonds (distance) P-C4' energy: -136.833 flat angles C4'-P-C4' energy: -162.292 flat angles P-C4'-P energy: -103.089 tors. eta vs tors. theta energy: -192.147 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: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2178.508749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.508749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.508749 (E_RNA) where: Base-Base interactions energy: -1460.552 where: short stacking energy: -643.725 Base-Backbone interact. energy: -2.659 local terms energy: -715.297190 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -141.547 flat angles C4'-P-C4' energy: -170.394 flat angles P-C4'-P energy: -93.929 tors. eta vs tors. theta energy: -164.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1783.640461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.640461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.640461 (E_RNA) where: Base-Base interactions energy: -1115.781 where: short stacking energy: -487.262 Base-Backbone interact. energy: -3.350 local terms energy: -664.509575 where: bonds (distance) C4'-P energy: -140.665 bonds (distance) P-C4' energy: -149.589 flat angles C4'-P-C4' energy: -158.695 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -121.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1491.286706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.286706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.286706 (E_RNA) where: Base-Base interactions energy: -898.573 where: short stacking energy: -415.932 Base-Backbone interact. energy: -1.610 local terms energy: -591.103469 where: bonds (distance) C4'-P energy: -142.029 bonds (distance) P-C4' energy: -151.762 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -90.052 tors. eta vs tors. theta energy: -66.809 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: 3 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1274.413313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.413313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.413313 (E_RNA) where: Base-Base interactions energy: -724.885 where: short stacking energy: -350.331 Base-Backbone interact. energy: 1.371 local terms energy: -550.899669 where: bonds (distance) C4'-P energy: -140.111 bonds (distance) P-C4' energy: -156.359 flat angles C4'-P-C4' energy: -131.743 flat angles P-C4'-P energy: -84.163 tors. eta vs tors. theta energy: -38.524 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: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1094.795221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.795221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.795221 (E_RNA) where: Base-Base interactions energy: -609.462 where: short stacking energy: -300.571 Base-Backbone interact. energy: 1.676 local terms energy: -487.008596 where: bonds (distance) C4'-P energy: -120.130 bonds (distance) P-C4' energy: -139.584 flat angles C4'-P-C4' energy: -121.159 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -24.751 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: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -769.631085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.631085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.631085 (E_RNA) where: Base-Base interactions energy: -315.283 where: short stacking energy: -204.516 Base-Backbone interact. energy: 4.369 local terms energy: -458.717679 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -136.913 flat angles P-C4'-P energy: -47.352 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2754.492260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.492260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.492260 (E_RNA) where: Base-Base interactions energy: -1845.858 where: short stacking energy: -832.247 Base-Backbone interact. energy: -3.411 local terms energy: -905.222471 where: bonds (distance) C4'-P energy: -148.040 bonds (distance) P-C4' energy: -181.507 flat angles C4'-P-C4' energy: -187.158 flat angles P-C4'-P energy: -136.400 tors. eta vs tors. theta energy: -252.118 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: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2654.102879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.102879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.102879 (E_RNA) where: Base-Base interactions energy: -1841.420 where: short stacking energy: -765.834 Base-Backbone interact. energy: 2.824 local terms energy: -815.506614 where: bonds (distance) C4'-P energy: -167.481 bonds (distance) P-C4' energy: -150.929 flat angles C4'-P-C4' energy: -165.453 flat angles P-C4'-P energy: -113.726 tors. eta vs tors. theta energy: -217.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2527.366465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.366465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.366465 (E_RNA) where: Base-Base interactions energy: -1712.227 where: short stacking energy: -748.626 Base-Backbone interact. energy: -1.881 local terms energy: -813.258062 where: bonds (distance) C4'-P energy: -163.795 bonds (distance) P-C4' energy: -156.023 flat angles C4'-P-C4' energy: -169.843 flat angles P-C4'-P energy: -114.511 tors. eta vs tors. theta energy: -209.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2426.953743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.953743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.953743 (E_RNA) where: Base-Base interactions energy: -1620.862 where: short stacking energy: -710.553 Base-Backbone interact. energy: 6.896 local terms energy: -812.988053 where: bonds (distance) C4'-P energy: -157.613 bonds (distance) P-C4' energy: -158.336 flat angles C4'-P-C4' energy: -181.573 flat angles P-C4'-P energy: -99.362 tors. eta vs tors. theta energy: -216.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2215.173497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.173497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.173497 (E_RNA) where: Base-Base interactions energy: -1486.248 where: short stacking energy: -650.906 Base-Backbone interact. energy: -1.664 local terms energy: -727.261599 where: bonds (distance) C4'-P energy: -145.498 bonds (distance) P-C4' energy: -143.876 flat angles C4'-P-C4' energy: -157.830 flat angles P-C4'-P energy: -111.430 tors. eta vs tors. theta energy: -168.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1790.787259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.787259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.787259 (E_RNA) where: Base-Base interactions energy: -1140.596 where: short stacking energy: -533.424 Base-Backbone interact. energy: -6.764 local terms energy: -643.426902 where: bonds (distance) C4'-P energy: -135.476 bonds (distance) P-C4' energy: -134.080 flat angles C4'-P-C4' energy: -146.683 flat angles P-C4'-P energy: -101.898 tors. eta vs tors. theta energy: -125.291 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: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1468.613448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.613448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.613448 (E_RNA) where: Base-Base interactions energy: -892.748 where: short stacking energy: -430.148 Base-Backbone interact. energy: -1.177 local terms energy: -574.688105 where: bonds (distance) C4'-P energy: -138.327 bonds (distance) P-C4' energy: -160.020 flat angles C4'-P-C4' energy: -103.306 flat angles P-C4'-P energy: -96.787 tors. eta vs tors. theta energy: -76.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1266.028277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.028277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.028277 (E_RNA) where: Base-Base interactions energy: -740.921 where: short stacking energy: -332.566 Base-Backbone interact. energy: -6.054 local terms energy: -519.054050 where: bonds (distance) C4'-P energy: -124.512 bonds (distance) P-C4' energy: -151.913 flat angles C4'-P-C4' energy: -132.644 flat angles P-C4'-P energy: -87.041 tors. eta vs tors. theta energy: -22.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -966.431208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.431208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.431208 (E_RNA) where: Base-Base interactions energy: -516.427 where: short stacking energy: -254.556 Base-Backbone interact. energy: 9.486 local terms energy: -459.490728 where: bonds (distance) C4'-P energy: -129.855 bonds (distance) P-C4' energy: -137.623 flat angles C4'-P-C4' energy: -141.636 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -748.659827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.659827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.659827 (E_RNA) where: Base-Base interactions energy: -337.024 where: short stacking energy: -203.151 Base-Backbone interact. energy: -1.753 local terms energy: -409.883229 where: bonds (distance) C4'-P energy: -134.035 bonds (distance) P-C4' energy: -132.959 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: 29.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2727.388428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.388428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.388428 (E_RNA) where: Base-Base interactions energy: -1848.893 where: short stacking energy: -821.079 Base-Backbone interact. energy: -0.357 local terms energy: -878.138136 where: bonds (distance) C4'-P energy: -153.036 bonds (distance) P-C4' energy: -171.634 flat angles C4'-P-C4' energy: -175.512 flat angles P-C4'-P energy: -131.156 tors. eta vs tors. theta energy: -246.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2658.296045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.296045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.296045 (E_RNA) where: Base-Base interactions energy: -1832.736 where: short stacking energy: -756.186 Base-Backbone interact. energy: -4.617 local terms energy: -820.943363 where: bonds (distance) C4'-P energy: -153.914 bonds (distance) P-C4' energy: -155.335 flat angles C4'-P-C4' energy: -181.558 flat angles P-C4'-P energy: -113.617 tors. eta vs tors. theta energy: -216.520 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: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2513.765636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.765636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.765636 (E_RNA) where: Base-Base interactions energy: -1694.119 where: short stacking energy: -689.455 Base-Backbone interact. energy: -3.902 local terms energy: -815.744636 where: bonds (distance) C4'-P energy: -171.596 bonds (distance) P-C4' energy: -168.147 flat angles C4'-P-C4' energy: -171.108 flat angles P-C4'-P energy: -111.457 tors. eta vs tors. theta energy: -193.437 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: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2334.959136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.959136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.959136 (E_RNA) where: Base-Base interactions energy: -1589.110 where: short stacking energy: -651.190 Base-Backbone interact. energy: -2.606 local terms energy: -743.242803 where: bonds (distance) C4'-P energy: -151.325 bonds (distance) P-C4' energy: -149.852 flat angles C4'-P-C4' energy: -176.689 flat angles P-C4'-P energy: -96.319 tors. eta vs tors. theta energy: -169.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2207.541829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.541829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.541829 (E_RNA) where: Base-Base interactions energy: -1439.005 where: short stacking energy: -638.795 Base-Backbone interact. energy: -2.558 local terms energy: -765.978803 where: bonds (distance) C4'-P energy: -153.914 bonds (distance) P-C4' energy: -170.077 flat angles C4'-P-C4' energy: -162.842 flat angles P-C4'-P energy: -109.350 tors. eta vs tors. theta energy: -169.796 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: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1826.519425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.519425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.519425 (E_RNA) where: Base-Base interactions energy: -1144.492 where: short stacking energy: -542.963 Base-Backbone interact. energy: -2.005 local terms energy: -680.021788 where: bonds (distance) C4'-P energy: -142.244 bonds (distance) P-C4' energy: -145.561 flat angles C4'-P-C4' energy: -145.905 flat angles P-C4'-P energy: -120.777 tors. eta vs tors. theta energy: -125.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1561.772759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.772759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.772759 (E_RNA) where: Base-Base interactions energy: -980.964 where: short stacking energy: -449.622 Base-Backbone interact. energy: -0.445 local terms energy: -580.363514 where: bonds (distance) C4'-P energy: -119.622 bonds (distance) P-C4' energy: -126.219 flat angles C4'-P-C4' energy: -140.487 flat angles P-C4'-P energy: -103.619 tors. eta vs tors. theta energy: -90.416 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: 3 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1330.838325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.838325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.838325 (E_RNA) where: Base-Base interactions energy: -779.410 where: short stacking energy: -371.805 Base-Backbone interact. energy: 3.165 local terms energy: -554.593589 where: bonds (distance) C4'-P energy: -146.574 bonds (distance) P-C4' energy: -129.971 flat angles C4'-P-C4' energy: -127.874 flat angles P-C4'-P energy: -85.983 tors. eta vs tors. theta energy: -64.191 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: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -881.630334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.630334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.630334 (E_RNA) where: Base-Base interactions energy: -422.098 where: short stacking energy: -257.221 Base-Backbone interact. energy: -3.266 local terms energy: -456.266165 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -131.002 flat angles C4'-P-C4' energy: -111.619 flat angles P-C4'-P energy: -62.476 tors. eta vs tors. theta energy: -21.576 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: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -782.876245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.876245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.876245 (E_RNA) where: Base-Base interactions energy: -331.266 where: short stacking energy: -222.837 Base-Backbone interact. energy: 6.682 local terms energy: -458.292799 where: bonds (distance) C4'-P energy: -140.705 bonds (distance) P-C4' energy: -127.397 flat angles C4'-P-C4' energy: -120.868 flat angles P-C4'-P energy: -86.686 tors. eta vs tors. theta energy: 17.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2739.624684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.624684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.624684 (E_RNA) where: Base-Base interactions energy: -1865.491 where: short stacking energy: -826.287 Base-Backbone interact. energy: -2.557 local terms energy: -871.576277 where: bonds (distance) C4'-P energy: -156.285 bonds (distance) P-C4' energy: -164.056 flat angles C4'-P-C4' energy: -184.223 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -246.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2585.887233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.887233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.887233 (E_RNA) where: Base-Base interactions energy: -1790.041 where: short stacking energy: -758.834 Base-Backbone interact. energy: 0.562 local terms energy: -796.408344 where: bonds (distance) C4'-P energy: -153.656 bonds (distance) P-C4' energy: -162.679 flat angles C4'-P-C4' energy: -173.690 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -201.056 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: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2569.096346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.096346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.096346 (E_RNA) where: Base-Base interactions energy: -1745.019 where: short stacking energy: -723.881 Base-Backbone interact. energy: -3.535 local terms energy: -820.542577 where: bonds (distance) C4'-P energy: -164.085 bonds (distance) P-C4' energy: -153.280 flat angles C4'-P-C4' energy: -174.178 flat angles P-C4'-P energy: -124.740 tors. eta vs tors. theta energy: -204.261 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2326.236009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.236009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.236009 (E_RNA) where: Base-Base interactions energy: -1580.567 where: short stacking energy: -637.816 Base-Backbone interact. energy: -4.795 local terms energy: -740.873678 where: bonds (distance) C4'-P energy: -147.847 bonds (distance) P-C4' energy: -141.296 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -116.722 tors. eta vs tors. theta energy: -177.533 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: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2213.809280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.809280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.809280 (E_RNA) where: Base-Base interactions energy: -1466.045 where: short stacking energy: -633.399 Base-Backbone interact. energy: 1.328 local terms energy: -749.091508 where: bonds (distance) C4'-P energy: -147.681 bonds (distance) P-C4' energy: -144.914 flat angles C4'-P-C4' energy: -163.469 flat angles P-C4'-P energy: -118.248 tors. eta vs tors. theta energy: -174.779 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: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1869.411515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.411515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.411515 (E_RNA) where: Base-Base interactions energy: -1200.516 where: short stacking energy: -539.960 Base-Backbone interact. energy: 0.380 local terms energy: -669.275330 where: bonds (distance) C4'-P energy: -140.033 bonds (distance) P-C4' energy: -165.747 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -102.348 tors. eta vs tors. theta energy: -125.542 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: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1567.223614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.223614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.223614 (E_RNA) where: Base-Base interactions energy: -950.094 where: short stacking energy: -453.566 Base-Backbone interact. energy: -1.797 local terms energy: -615.332882 where: bonds (distance) C4'-P energy: -120.764 bonds (distance) P-C4' energy: -155.384 flat angles C4'-P-C4' energy: -142.199 flat angles P-C4'-P energy: -95.305 tors. eta vs tors. theta energy: -101.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1328.228691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.228691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.228691 (E_RNA) where: Base-Base interactions energy: -813.683 where: short stacking energy: -398.337 Base-Backbone interact. energy: 0.837 local terms energy: -515.382425 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -145.468 flat angles C4'-P-C4' energy: -125.348 flat angles P-C4'-P energy: -55.942 tors. eta vs tors. theta energy: -50.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -885.339198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.339198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.339198 (E_RNA) where: Base-Base interactions energy: -433.975 where: short stacking energy: -236.012 Base-Backbone interact. energy: -4.043 local terms energy: -447.321298 where: bonds (distance) C4'-P energy: -141.843 bonds (distance) P-C4' energy: -132.981 flat angles C4'-P-C4' energy: -115.798 flat angles P-C4'-P energy: -68.664 tors. eta vs tors. theta energy: 11.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -749.350627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.350627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.350627 (E_RNA) where: Base-Base interactions energy: -341.024 where: short stacking energy: -190.244 Base-Backbone interact. energy: -0.754 local terms energy: -407.572496 where: bonds (distance) C4'-P energy: -128.771 bonds (distance) P-C4' energy: -134.218 flat angles C4'-P-C4' energy: -106.244 flat angles P-C4'-P energy: -68.377 tors. eta vs tors. theta energy: 30.037 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2753.031608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.031608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.031608 (E_RNA) where: Base-Base interactions energy: -1841.835 where: short stacking energy: -832.863 Base-Backbone interact. energy: -4.406 local terms energy: -906.790003 where: bonds (distance) C4'-P energy: -166.508 bonds (distance) P-C4' energy: -170.545 flat angles C4'-P-C4' energy: -185.103 flat angles P-C4'-P energy: -130.047 tors. eta vs tors. theta energy: -254.588 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: 97 Temperature: 0.950000 Total energy: -2595.387240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.387240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.387240 (E_RNA) where: Base-Base interactions energy: -1791.748 where: short stacking energy: -765.692 Base-Backbone interact. energy: -1.098 local terms energy: -802.542126 where: bonds (distance) C4'-P energy: -157.311 bonds (distance) P-C4' energy: -154.547 flat angles C4'-P-C4' energy: -179.149 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -201.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2592.336692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.336692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.336692 (E_RNA) where: Base-Base interactions energy: -1774.356 where: short stacking energy: -742.225 Base-Backbone interact. energy: 0.880 local terms energy: -818.860546 where: bonds (distance) C4'-P energy: -164.221 bonds (distance) P-C4' energy: -157.907 flat angles C4'-P-C4' energy: -168.368 flat angles P-C4'-P energy: -114.599 tors. eta vs tors. theta energy: -213.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2332.203136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.203136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.203136 (E_RNA) where: Base-Base interactions energy: -1584.360 where: short stacking energy: -655.846 Base-Backbone interact. energy: -3.558 local terms energy: -744.284883 where: bonds (distance) C4'-P energy: -155.569 bonds (distance) P-C4' energy: -140.166 flat angles C4'-P-C4' energy: -162.543 flat angles P-C4'-P energy: -110.962 tors. eta vs tors. theta energy: -175.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2209.893296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.893296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.893296 (E_RNA) where: Base-Base interactions energy: -1495.654 where: short stacking energy: -643.707 Base-Backbone interact. energy: -3.935 local terms energy: -710.304230 where: bonds (distance) C4'-P energy: -143.257 bonds (distance) P-C4' energy: -139.687 flat angles C4'-P-C4' energy: -169.588 flat angles P-C4'-P energy: -85.815 tors. eta vs tors. theta energy: -171.957 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: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1782.883411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.883411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.883411 (E_RNA) where: Base-Base interactions energy: -1145.842 where: short stacking energy: -510.783 Base-Backbone interact. energy: -3.121 local terms energy: -633.919627 where: bonds (distance) C4'-P energy: -129.265 bonds (distance) P-C4' energy: -134.968 flat angles C4'-P-C4' energy: -170.792 flat angles P-C4'-P energy: -82.925 tors. eta vs tors. theta energy: -115.969 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: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1538.893073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.893073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.893073 (E_RNA) where: Base-Base interactions energy: -972.340 where: short stacking energy: -434.778 Base-Backbone interact. energy: -0.782 local terms energy: -565.771484 where: bonds (distance) C4'-P energy: -139.671 bonds (distance) P-C4' energy: -125.800 flat angles C4'-P-C4' energy: -141.061 flat angles P-C4'-P energy: -82.975 tors. eta vs tors. theta energy: -76.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1288.576026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.576026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.576026 (E_RNA) where: Base-Base interactions energy: -785.217 where: short stacking energy: -377.641 Base-Backbone interact. energy: -3.782 local terms energy: -499.577686 where: bonds (distance) C4'-P energy: -117.613 bonds (distance) P-C4' energy: -133.425 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -90.144 tors. eta vs tors. theta energy: -34.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -891.115292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.115292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.115292 (E_RNA) where: Base-Base interactions energy: -408.449 where: short stacking energy: -236.105 Base-Backbone interact. energy: 2.425 local terms energy: -485.091883 where: bonds (distance) C4'-P energy: -137.170 bonds (distance) P-C4' energy: -145.594 flat angles C4'-P-C4' energy: -127.812 flat angles P-C4'-P energy: -71.645 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -804.749645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.749645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.749645 (E_RNA) where: Base-Base interactions energy: -362.701 where: short stacking energy: -210.210 Base-Backbone interact. energy: 4.486 local terms energy: -446.534061 where: bonds (distance) C4'-P energy: -123.724 bonds (distance) P-C4' energy: -146.504 flat angles C4'-P-C4' energy: -113.540 flat angles P-C4'-P energy: -86.170 tors. eta vs tors. theta energy: 23.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2703.656056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.656056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.656056 (E_RNA) where: Base-Base interactions energy: -1795.577 where: short stacking energy: -823.713 Base-Backbone interact. energy: -1.351 local terms energy: -906.727674 where: bonds (distance) C4'-P energy: -169.685 bonds (distance) P-C4' energy: -171.993 flat angles C4'-P-C4' energy: -188.384 flat angles P-C4'-P energy: -127.289 tors. eta vs tors. theta energy: -249.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2588.045445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.045445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.045445 (E_RNA) where: Base-Base interactions energy: -1773.570 where: short stacking energy: -750.093 Base-Backbone interact. energy: 4.011 local terms energy: -818.487250 where: bonds (distance) C4'-P energy: -168.627 bonds (distance) P-C4' energy: -181.202 flat angles C4'-P-C4' energy: -177.000 flat angles P-C4'-P energy: -98.929 tors. eta vs tors. theta energy: -192.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2557.617999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.617999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.617999 (E_RNA) where: Base-Base interactions energy: -1765.839 where: short stacking energy: -767.026 Base-Backbone interact. energy: -1.981 local terms energy: -789.798549 where: bonds (distance) C4'-P energy: -142.379 bonds (distance) P-C4' energy: -162.164 flat angles C4'-P-C4' energy: -171.370 flat angles P-C4'-P energy: -111.908 tors. eta vs tors. theta energy: -201.977 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: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2299.649110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.649110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.649110 (E_RNA) where: Base-Base interactions energy: -1553.002 where: short stacking energy: -661.770 Base-Backbone interact. energy: -1.927 local terms energy: -744.720245 where: bonds (distance) C4'-P energy: -150.646 bonds (distance) P-C4' energy: -144.756 flat angles C4'-P-C4' energy: -156.961 flat angles P-C4'-P energy: -104.280 tors. eta vs tors. theta energy: -188.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2206.133819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.133819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.133819 (E_RNA) where: Base-Base interactions energy: -1493.788 where: short stacking energy: -646.278 Base-Backbone interact. energy: -1.601 local terms energy: -710.745318 where: bonds (distance) C4'-P energy: -137.646 bonds (distance) P-C4' energy: -141.471 flat angles C4'-P-C4' energy: -166.937 flat angles P-C4'-P energy: -93.625 tors. eta vs tors. theta energy: -171.067 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: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1808.880328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.880328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.880328 (E_RNA) where: Base-Base interactions energy: -1143.765 where: short stacking energy: -530.624 Base-Backbone interact. energy: -0.909 local terms energy: -664.206732 where: bonds (distance) C4'-P energy: -152.486 bonds (distance) P-C4' energy: -148.060 flat angles C4'-P-C4' energy: -151.474 flat angles P-C4'-P energy: -90.817 tors. eta vs tors. theta energy: -121.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1577.364116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.364116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.364116 (E_RNA) where: Base-Base interactions energy: -1020.885 where: short stacking energy: -465.163 Base-Backbone interact. energy: -6.099 local terms energy: -550.380525 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -141.841 flat angles C4'-P-C4' energy: -131.630 flat angles P-C4'-P energy: -83.706 tors. eta vs tors. theta energy: -80.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1263.394485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.394485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.394485 (E_RNA) where: Base-Base interactions energy: -742.974 where: short stacking energy: -372.630 Base-Backbone interact. energy: -3.791 local terms energy: -516.629415 where: bonds (distance) C4'-P energy: -139.321 bonds (distance) P-C4' energy: -149.437 flat angles C4'-P-C4' energy: -106.666 flat angles P-C4'-P energy: -68.065 tors. eta vs tors. theta energy: -53.141 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: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -903.482485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.482485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.482485 (E_RNA) where: Base-Base interactions energy: -447.807 where: short stacking energy: -244.481 Base-Backbone interact. energy: 1.401 local terms energy: -457.076422 where: bonds (distance) C4'-P energy: -119.264 bonds (distance) P-C4' energy: -135.492 flat angles C4'-P-C4' energy: -134.187 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: 9.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -734.727265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.727265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.727265 (E_RNA) where: Base-Base interactions energy: -363.247 where: short stacking energy: -187.173 Base-Backbone interact. energy: 6.009 local terms energy: -377.488731 where: bonds (distance) C4'-P energy: -139.973 bonds (distance) P-C4' energy: -130.447 flat angles C4'-P-C4' energy: -86.111 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: 41.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2693.130329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.130329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.130329 (E_RNA) where: Base-Base interactions energy: -1808.393 where: short stacking energy: -799.791 Base-Backbone interact. energy: -2.831 local terms energy: -881.906830 where: bonds (distance) C4'-P energy: -159.356 bonds (distance) P-C4' energy: -161.471 flat angles C4'-P-C4' energy: -190.207 flat angles P-C4'-P energy: -123.797 tors. eta vs tors. theta energy: -247.076 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: 99 Temperature: 0.950000 Total energy: -2638.936295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.936295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.936295 (E_RNA) where: Base-Base interactions energy: -1824.023 where: short stacking energy: -771.214 Base-Backbone interact. energy: -3.171 local terms energy: -811.742589 where: bonds (distance) C4'-P energy: -153.156 bonds (distance) P-C4' energy: -151.903 flat angles C4'-P-C4' energy: -175.051 flat angles P-C4'-P energy: -117.884 tors. eta vs tors. theta energy: -213.748 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: 99 Temperature: 1.000000 Total energy: -2552.488948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.488948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.488948 (E_RNA) where: Base-Base interactions energy: -1762.350 where: short stacking energy: -724.548 Base-Backbone interact. energy: 3.893 local terms energy: -794.032501 where: bonds (distance) C4'-P energy: -145.742 bonds (distance) P-C4' energy: -164.418 flat angles C4'-P-C4' energy: -171.372 flat angles P-C4'-P energy: -105.053 tors. eta vs tors. theta energy: -207.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2308.785001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.785001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.785001 (E_RNA) where: Base-Base interactions energy: -1549.626 where: short stacking energy: -675.917 Base-Backbone interact. energy: 0.458 local terms energy: -759.616896 where: bonds (distance) C4'-P energy: -134.984 bonds (distance) P-C4' energy: -167.477 flat angles C4'-P-C4' energy: -168.044 flat angles P-C4'-P energy: -108.210 tors. eta vs tors. theta energy: -180.901 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: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2230.590613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.590613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.590613 (E_RNA) where: Base-Base interactions energy: -1479.592 where: short stacking energy: -656.107 Base-Backbone interact. energy: 1.061 local terms energy: -752.059740 where: bonds (distance) C4'-P energy: -153.144 bonds (distance) P-C4' energy: -155.385 flat angles C4'-P-C4' energy: -174.656 flat angles P-C4'-P energy: -101.058 tors. eta vs tors. theta energy: -167.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1875.969776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.969776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.969776 (E_RNA) where: Base-Base interactions energy: -1199.061 where: short stacking energy: -532.808 Base-Backbone interact. energy: -0.556 local terms energy: -676.353117 where: bonds (distance) C4'-P energy: -154.561 bonds (distance) P-C4' energy: -151.273 flat angles C4'-P-C4' energy: -161.640 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -125.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1511.966541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.966541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.966541 (E_RNA) where: Base-Base interactions energy: -920.806 where: short stacking energy: -436.534 Base-Backbone interact. energy: -4.299 local terms energy: -586.861711 where: bonds (distance) C4'-P energy: -148.744 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -141.184 flat angles P-C4'-P energy: -80.619 tors. eta vs tors. theta energy: -79.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1325.836616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.836616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.836616 (E_RNA) where: Base-Base interactions energy: -799.247 where: short stacking energy: -361.796 Base-Backbone interact. energy: 2.040 local terms energy: -528.628817 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -135.868 flat angles C4'-P-C4' energy: -126.431 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -59.589 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: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -880.480855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.480855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.480855 (E_RNA) where: Base-Base interactions energy: -400.089 where: short stacking energy: -225.947 Base-Backbone interact. energy: -1.425 local terms energy: -478.967285 where: bonds (distance) C4'-P energy: -152.481 bonds (distance) P-C4' energy: -126.989 flat angles C4'-P-C4' energy: -132.000 flat angles P-C4'-P energy: -64.797 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -749.828592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.828592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.828592 (E_RNA) where: Base-Base interactions energy: -310.097 where: short stacking energy: -198.681 Base-Backbone interact. energy: 11.905 local terms energy: -451.637012 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -143.171 flat angles C4'-P-C4' energy: -118.453 flat angles P-C4'-P energy: -67.612 tors. eta vs tors. theta energy: 29.271 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: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2730.220417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.220417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.220417 (E_RNA) where: Base-Base interactions energy: -1820.569 where: short stacking energy: -826.202 Base-Backbone interact. energy: -3.626 local terms energy: -906.024857 where: bonds (distance) C4'-P energy: -164.762 bonds (distance) P-C4' energy: -176.868 flat angles C4'-P-C4' energy: -186.570 flat angles P-C4'-P energy: -126.095 tors. eta vs tors. theta energy: -251.730 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: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2664.388248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.388248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.388248 (E_RNA) where: Base-Base interactions energy: -1814.506 where: short stacking energy: -762.080 Base-Backbone interact. energy: -3.274 local terms energy: -846.608656 where: bonds (distance) C4'-P energy: -156.007 bonds (distance) P-C4' energy: -155.570 flat angles C4'-P-C4' energy: -188.231 flat angles P-C4'-P energy: -131.686 tors. eta vs tors. theta energy: -215.115 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: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2592.544169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.544169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.544169 (E_RNA) where: Base-Base interactions energy: -1771.685 where: short stacking energy: -691.741 Base-Backbone interact. energy: 3.142 local terms energy: -824.001432 where: bonds (distance) C4'-P energy: -151.903 bonds (distance) P-C4' energy: -171.909 flat angles C4'-P-C4' energy: -178.077 flat angles P-C4'-P energy: -117.807 tors. eta vs tors. theta energy: -204.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2321.469626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.469626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.469626 (E_RNA) where: Base-Base interactions energy: -1560.041 where: short stacking energy: -668.245 Base-Backbone interact. energy: 1.016 local terms energy: -762.444252 where: bonds (distance) C4'-P energy: -136.732 bonds (distance) P-C4' energy: -159.978 flat angles C4'-P-C4' energy: -183.432 flat angles P-C4'-P energy: -100.124 tors. eta vs tors. theta energy: -182.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2133.548967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.548967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.548967 (E_RNA) where: Base-Base interactions energy: -1451.359 where: short stacking energy: -650.241 Base-Backbone interact. energy: 0.539 local terms energy: -682.728661 where: bonds (distance) C4'-P energy: -141.603 bonds (distance) P-C4' energy: -137.574 flat angles C4'-P-C4' energy: -160.842 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -166.400 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: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1841.192994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.192994 (E_RNA) where: Base-Base interactions energy: -1158.624 where: short stacking energy: -526.582 Base-Backbone interact. energy: 5.070 local terms energy: -687.639017 where: bonds (distance) C4'-P energy: -147.125 bonds (distance) P-C4' energy: -162.534 flat angles C4'-P-C4' energy: -150.836 flat angles P-C4'-P energy: -95.793 tors. eta vs tors. theta energy: -131.350 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: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1507.129104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.129104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.129104 (E_RNA) where: Base-Base interactions energy: -907.591 where: short stacking energy: -428.215 Base-Backbone interact. energy: -1.723 local terms energy: -597.814436 where: bonds (distance) C4'-P energy: -144.380 bonds (distance) P-C4' energy: -128.303 flat angles C4'-P-C4' energy: -137.213 flat angles P-C4'-P energy: -99.919 tors. eta vs tors. theta energy: -88.000 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: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1396.901273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.901273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.901273 (E_RNA) where: Base-Base interactions energy: -820.025 where: short stacking energy: -375.551 Base-Backbone interact. energy: -5.337 local terms energy: -571.539230 where: bonds (distance) C4'-P energy: -134.601 bonds (distance) P-C4' energy: -147.510 flat angles C4'-P-C4' energy: -139.120 flat angles P-C4'-P energy: -85.308 tors. eta vs tors. theta energy: -65.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -895.831469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.831469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.831469 (E_RNA) where: Base-Base interactions energy: -434.636 where: short stacking energy: -242.911 Base-Backbone interact. energy: -1.646 local terms energy: -459.549997 where: bonds (distance) C4'-P energy: -132.791 bonds (distance) P-C4' energy: -145.604 flat angles C4'-P-C4' energy: -129.472 flat angles P-C4'-P energy: -60.419 tors. eta vs tors. theta energy: 8.737 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: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -834.421077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.421077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.421077 (E_RNA) where: Base-Base interactions energy: -441.976 where: short stacking energy: -244.435 Base-Backbone interact. energy: 3.472 local terms energy: -395.916889 where: bonds (distance) C4'-P energy: -134.003 bonds (distance) P-C4' energy: -132.109 flat angles C4'-P-C4' energy: -89.257 flat angles P-C4'-P energy: -59.504 tors. eta vs tors. theta energy: 18.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2792.334199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.334199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.334199 (E_RNA) where: Base-Base interactions energy: -1893.447 where: short stacking energy: -839.464 Base-Backbone interact. energy: -0.600 local terms energy: -898.286850 where: bonds (distance) C4'-P energy: -150.761 bonds (distance) P-C4' energy: -165.134 flat angles C4'-P-C4' energy: -198.527 flat angles P-C4'-P energy: -131.252 tors. eta vs tors. theta energy: -252.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2651.202859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.202859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.202859 (E_RNA) where: Base-Base interactions energy: -1796.557 where: short stacking energy: -762.926 Base-Backbone interact. energy: -0.867 local terms energy: -853.779198 where: bonds (distance) C4'-P energy: -163.256 bonds (distance) P-C4' energy: -169.096 flat angles C4'-P-C4' energy: -190.756 flat angles P-C4'-P energy: -115.011 tors. eta vs tors. theta energy: -215.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2544.382222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.382222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.382222 (E_RNA) where: Base-Base interactions energy: -1740.410 where: short stacking energy: -710.100 Base-Backbone interact. energy: -3.150 local terms energy: -800.822016 where: bonds (distance) C4'-P energy: -152.815 bonds (distance) P-C4' energy: -159.807 flat angles C4'-P-C4' energy: -169.929 flat angles P-C4'-P energy: -111.105 tors. eta vs tors. theta energy: -207.166 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: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2357.126498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.126498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.126498 (E_RNA) where: Base-Base interactions energy: -1569.507 where: short stacking energy: -660.293 Base-Backbone interact. energy: 0.382 local terms energy: -788.001181 where: bonds (distance) C4'-P energy: -154.698 bonds (distance) P-C4' energy: -149.270 flat angles C4'-P-C4' energy: -173.563 flat angles P-C4'-P energy: -119.077 tors. eta vs tors. theta energy: -191.393 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: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2152.895167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.895167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.895167 (E_RNA) where: Base-Base interactions energy: -1411.808 where: short stacking energy: -642.051 Base-Backbone interact. energy: 0.913 local terms energy: -742.000486 where: bonds (distance) C4'-P energy: -138.417 bonds (distance) P-C4' energy: -149.465 flat angles C4'-P-C4' energy: -163.125 flat angles P-C4'-P energy: -122.281 tors. eta vs tors. theta energy: -168.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1864.838025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.838025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.838025 (E_RNA) where: Base-Base interactions energy: -1201.917 where: short stacking energy: -545.186 Base-Backbone interact. energy: -1.392 local terms energy: -661.529487 where: bonds (distance) C4'-P energy: -144.490 bonds (distance) P-C4' energy: -142.631 flat angles C4'-P-C4' energy: -156.290 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -121.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1535.124197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.124197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.124197 (E_RNA) where: Base-Base interactions energy: -946.104 where: short stacking energy: -447.967 Base-Backbone interact. energy: 0.055 local terms energy: -589.074724 where: bonds (distance) C4'-P energy: -135.716 bonds (distance) P-C4' energy: -143.236 flat angles C4'-P-C4' energy: -139.197 flat angles P-C4'-P energy: -90.946 tors. eta vs tors. theta energy: -79.980 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: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1302.968268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.968268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.968268 (E_RNA) where: Base-Base interactions energy: -752.487 where: short stacking energy: -359.887 Base-Backbone interact. energy: -2.365 local terms energy: -548.116159 where: bonds (distance) C4'-P energy: -132.414 bonds (distance) P-C4' energy: -145.978 flat angles C4'-P-C4' energy: -143.103 flat angles P-C4'-P energy: -75.789 tors. eta vs tors. theta energy: -50.832 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: 101 Temperature: 1.300000 Total energy: -907.305699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.305699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.305699 (E_RNA) where: Base-Base interactions energy: -416.016 where: short stacking energy: -234.292 Base-Backbone interact. energy: -3.873 local terms energy: -487.416564 where: bonds (distance) C4'-P energy: -130.184 bonds (distance) P-C4' energy: -139.432 flat angles C4'-P-C4' energy: -138.408 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -15.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -844.139090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.139090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.139090 (E_RNA) where: Base-Base interactions energy: -386.037 where: short stacking energy: -225.856 Base-Backbone interact. energy: -3.293 local terms energy: -454.809213 where: bonds (distance) C4'-P energy: -115.919 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -108.127 flat angles P-C4'-P energy: -83.042 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2705.072891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.072891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.072891 (E_RNA) where: Base-Base interactions energy: -1842.333 where: short stacking energy: -804.498 Base-Backbone interact. energy: -5.048 local terms energy: -857.692103 where: bonds (distance) C4'-P energy: -158.869 bonds (distance) P-C4' energy: -168.861 flat angles C4'-P-C4' energy: -180.304 flat angles P-C4'-P energy: -126.350 tors. eta vs tors. theta energy: -223.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2666.590438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.590438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.590438 (E_RNA) where: Base-Base interactions energy: -1784.934 where: short stacking energy: -766.259 Base-Backbone interact. energy: -3.604 local terms energy: -878.051730 where: bonds (distance) C4'-P energy: -165.636 bonds (distance) P-C4' energy: -167.038 flat angles C4'-P-C4' energy: -194.964 flat angles P-C4'-P energy: -112.110 tors. eta vs tors. theta energy: -238.305 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: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2582.191353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.191353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.191353 (E_RNA) where: Base-Base interactions energy: -1781.852 where: short stacking energy: -748.750 Base-Backbone interact. energy: -2.232 local terms energy: -798.107350 where: bonds (distance) C4'-P energy: -150.573 bonds (distance) P-C4' energy: -154.407 flat angles C4'-P-C4' energy: -164.724 flat angles P-C4'-P energy: -111.908 tors. eta vs tors. theta energy: -216.496 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: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2323.487378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.487378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.487378 (E_RNA) where: Base-Base interactions energy: -1562.946 where: short stacking energy: -693.306 Base-Backbone interact. energy: 4.378 local terms energy: -764.918538 where: bonds (distance) C4'-P energy: -146.872 bonds (distance) P-C4' energy: -142.161 flat angles C4'-P-C4' energy: -178.384 flat angles P-C4'-P energy: -108.185 tors. eta vs tors. theta energy: -189.316 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: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2234.981671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.981671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.981671 (E_RNA) where: Base-Base interactions energy: -1492.788 where: short stacking energy: -641.660 Base-Backbone interact. energy: -3.477 local terms energy: -738.716586 where: bonds (distance) C4'-P energy: -158.246 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -153.004 flat angles P-C4'-P energy: -111.270 tors. eta vs tors. theta energy: -170.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1842.609751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.609751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.609751 (E_RNA) where: Base-Base interactions energy: -1147.500 where: short stacking energy: -513.203 Base-Backbone interact. energy: -5.027 local terms energy: -690.082793 where: bonds (distance) C4'-P energy: -157.230 bonds (distance) P-C4' energy: -141.914 flat angles C4'-P-C4' energy: -156.032 flat angles P-C4'-P energy: -106.905 tors. eta vs tors. theta energy: -128.002 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: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1509.038760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.038760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.038760 (E_RNA) where: Base-Base interactions energy: -917.952 where: short stacking energy: -428.110 Base-Backbone interact. energy: -2.406 local terms energy: -588.680852 where: bonds (distance) C4'-P energy: -124.954 bonds (distance) P-C4' energy: -151.317 flat angles C4'-P-C4' energy: -145.269 flat angles P-C4'-P energy: -90.942 tors. eta vs tors. theta energy: -76.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1370.755767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.755767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.755767 (E_RNA) where: Base-Base interactions energy: -805.619 where: short stacking energy: -380.443 Base-Backbone interact. energy: -0.593 local terms energy: -564.543984 where: bonds (distance) C4'-P energy: -138.716 bonds (distance) P-C4' energy: -145.516 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -82.443 tors. eta vs tors. theta energy: -55.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -846.716239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.716239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.716239 (E_RNA) where: Base-Base interactions energy: -406.436 where: short stacking energy: -233.641 Base-Backbone interact. energy: 5.851 local terms energy: -446.131350 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -110.838 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -5.304 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: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -779.026218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.026218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.026218 (E_RNA) where: Base-Base interactions energy: -369.161 where: short stacking energy: -217.060 Base-Backbone interact. energy: 0.808 local terms energy: -410.673852 where: bonds (distance) C4'-P energy: -114.196 bonds (distance) P-C4' energy: -147.919 flat angles C4'-P-C4' energy: -114.388 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: 35.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2704.747644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.747644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.747644 (E_RNA) where: Base-Base interactions energy: -1856.694 where: short stacking energy: -772.866 Base-Backbone interact. energy: -0.838 local terms energy: -847.215144 where: bonds (distance) C4'-P energy: -161.729 bonds (distance) P-C4' energy: -169.829 flat angles C4'-P-C4' energy: -176.779 flat angles P-C4'-P energy: -121.754 tors. eta vs tors. theta energy: -217.124 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: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2638.419738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.419738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.419738 (E_RNA) where: Base-Base interactions energy: -1763.272 where: short stacking energy: -800.515 Base-Backbone interact. energy: -2.968 local terms energy: -872.179747 where: bonds (distance) C4'-P energy: -154.282 bonds (distance) P-C4' energy: -165.937 flat angles C4'-P-C4' energy: -180.340 flat angles P-C4'-P energy: -124.872 tors. eta vs tors. theta energy: -246.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2575.142125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.142125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.142125 (E_RNA) where: Base-Base interactions energy: -1728.707 where: short stacking energy: -733.575 Base-Backbone interact. energy: -3.332 local terms energy: -843.102652 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -147.768 flat angles C4'-P-C4' energy: -187.861 flat angles P-C4'-P energy: -120.409 tors. eta vs tors. theta energy: -222.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2338.674236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.674236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.674236 (E_RNA) where: Base-Base interactions energy: -1567.037 where: short stacking energy: -671.117 Base-Backbone interact. energy: -3.305 local terms energy: -768.332092 where: bonds (distance) C4'-P energy: -154.290 bonds (distance) P-C4' energy: -161.517 flat angles C4'-P-C4' energy: -164.466 flat angles P-C4'-P energy: -99.882 tors. eta vs tors. theta energy: -188.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2276.324126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.324126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.324126 (E_RNA) where: Base-Base interactions energy: -1556.850 where: short stacking energy: -663.243 Base-Backbone interact. energy: -0.947 local terms energy: -718.527506 where: bonds (distance) C4'-P energy: -133.447 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -157.362 flat angles P-C4'-P energy: -102.261 tors. eta vs tors. theta energy: -178.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1802.774960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.774960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.774960 (E_RNA) where: Base-Base interactions energy: -1127.501 where: short stacking energy: -534.639 Base-Backbone interact. energy: 3.264 local terms energy: -678.537421 where: bonds (distance) C4'-P energy: -143.592 bonds (distance) P-C4' energy: -155.313 flat angles C4'-P-C4' energy: -149.242 flat angles P-C4'-P energy: -95.958 tors. eta vs tors. theta energy: -134.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1485.845515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.845515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.845515 (E_RNA) where: Base-Base interactions energy: -949.187 where: short stacking energy: -462.625 Base-Backbone interact. energy: 1.917 local terms energy: -538.575721 where: bonds (distance) C4'-P energy: -110.870 bonds (distance) P-C4' energy: -125.724 flat angles C4'-P-C4' energy: -127.319 flat angles P-C4'-P energy: -91.093 tors. eta vs tors. theta energy: -83.570 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: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1346.550319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.550319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.550319 (E_RNA) where: Base-Base interactions energy: -776.962 where: short stacking energy: -392.719 Base-Backbone interact. energy: 0.607 local terms energy: -570.195143 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -144.868 flat angles C4'-P-C4' energy: -152.025 flat angles P-C4'-P energy: -65.376 tors. eta vs tors. theta energy: -63.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -843.717081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.717081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.717081 (E_RNA) where: Base-Base interactions energy: -407.411 where: short stacking energy: -227.755 Base-Backbone interact. energy: -2.979 local terms energy: -433.326932 where: bonds (distance) C4'-P energy: -125.947 bonds (distance) P-C4' energy: -147.852 flat angles C4'-P-C4' energy: -82.182 flat angles P-C4'-P energy: -81.743 tors. eta vs tors. theta energy: 4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -769.589552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.589552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.589552 (E_RNA) where: Base-Base interactions energy: -305.396 where: short stacking energy: -188.764 Base-Backbone interact. energy: -3.944 local terms energy: -460.250183 where: bonds (distance) C4'-P energy: -141.668 bonds (distance) P-C4' energy: -136.617 flat angles C4'-P-C4' energy: -128.667 flat angles P-C4'-P energy: -83.291 tors. eta vs tors. theta energy: 29.993 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: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2732.642802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.642802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.642802 (E_RNA) where: Base-Base interactions energy: -1892.323 where: short stacking energy: -774.516 Base-Backbone interact. energy: -7.226 local terms energy: -833.094268 where: bonds (distance) C4'-P energy: -147.337 bonds (distance) P-C4' energy: -168.581 flat angles C4'-P-C4' energy: -178.083 flat angles P-C4'-P energy: -117.685 tors. eta vs tors. theta energy: -221.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2617.812524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.812524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.812524 (E_RNA) where: Base-Base interactions energy: -1768.221 where: short stacking energy: -787.482 Base-Backbone interact. energy: -2.572 local terms energy: -847.019196 where: bonds (distance) C4'-P energy: -154.919 bonds (distance) P-C4' energy: -156.105 flat angles C4'-P-C4' energy: -183.964 flat angles P-C4'-P energy: -116.548 tors. eta vs tors. theta energy: -235.483 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: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2575.893235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.893235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.893235 (E_RNA) where: Base-Base interactions energy: -1733.174 where: short stacking energy: -717.352 Base-Backbone interact. energy: -1.517 local terms energy: -841.201942 where: bonds (distance) C4'-P energy: -156.714 bonds (distance) P-C4' energy: -164.937 flat angles C4'-P-C4' energy: -187.892 flat angles P-C4'-P energy: -113.973 tors. eta vs tors. theta energy: -217.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2286.550965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.550965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.550965 (E_RNA) where: Base-Base interactions energy: -1550.403 where: short stacking energy: -679.452 Base-Backbone interact. energy: -4.242 local terms energy: -731.905875 where: bonds (distance) C4'-P energy: -147.843 bonds (distance) P-C4' energy: -130.629 flat angles C4'-P-C4' energy: -170.163 flat angles P-C4'-P energy: -95.894 tors. eta vs tors. theta energy: -187.376 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: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2254.296347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.296347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.296347 (E_RNA) where: Base-Base interactions energy: -1522.632 where: short stacking energy: -635.611 Base-Backbone interact. energy: 2.270 local terms energy: -733.934861 where: bonds (distance) C4'-P energy: -144.426 bonds (distance) P-C4' energy: -132.658 flat angles C4'-P-C4' energy: -162.422 flat angles P-C4'-P energy: -114.649 tors. eta vs tors. theta energy: -179.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1789.770739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.770739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.770739 (E_RNA) where: Base-Base interactions energy: -1132.846 where: short stacking energy: -528.561 Base-Backbone interact. energy: -3.876 local terms energy: -653.048644 where: bonds (distance) C4'-P energy: -126.677 bonds (distance) P-C4' energy: -161.161 flat angles C4'-P-C4' energy: -167.345 flat angles P-C4'-P energy: -85.829 tors. eta vs tors. theta energy: -112.035 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: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1416.022878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.022878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.022878 (E_RNA) where: Base-Base interactions energy: -874.724 where: short stacking energy: -415.032 Base-Backbone interact. energy: 1.505 local terms energy: -542.803447 where: bonds (distance) C4'-P energy: -118.542 bonds (distance) P-C4' energy: -140.469 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -79.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1351.933719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.933719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.933719 (E_RNA) where: Base-Base interactions energy: -804.051 where: short stacking energy: -402.216 Base-Backbone interact. energy: -2.861 local terms energy: -545.020891 where: bonds (distance) C4'-P energy: -136.683 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -137.850 flat angles P-C4'-P energy: -77.364 tors. eta vs tors. theta energy: -58.414 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: 104 Temperature: 1.300000 Total energy: -864.796723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.796723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.796723 (E_RNA) where: Base-Base interactions energy: -459.990 where: short stacking energy: -253.492 Base-Backbone interact. energy: 0.224 local terms energy: -405.029991 where: bonds (distance) C4'-P energy: -105.015 bonds (distance) P-C4' energy: -119.825 flat angles C4'-P-C4' energy: -119.574 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -825.233274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.233274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.233274 (E_RNA) where: Base-Base interactions energy: -351.140 where: short stacking energy: -225.487 Base-Backbone interact. energy: -1.384 local terms energy: -472.709752 where: bonds (distance) C4'-P energy: -148.870 bonds (distance) P-C4' energy: -134.034 flat angles C4'-P-C4' energy: -116.079 flat angles P-C4'-P energy: -80.798 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2707.911635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.911635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.911635 (E_RNA) where: Base-Base interactions energy: -1859.190 where: short stacking energy: -761.033 Base-Backbone interact. energy: -8.711 local terms energy: -840.010113 where: bonds (distance) C4'-P energy: -164.156 bonds (distance) P-C4' energy: -164.949 flat angles C4'-P-C4' energy: -181.947 flat angles P-C4'-P energy: -118.392 tors. eta vs tors. theta energy: -210.566 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: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2636.248905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.248905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.248905 (E_RNA) where: Base-Base interactions energy: -1776.203 where: short stacking energy: -815.578 Base-Backbone interact. energy: -3.804 local terms energy: -856.241988 where: bonds (distance) C4'-P energy: -134.838 bonds (distance) P-C4' energy: -160.023 flat angles C4'-P-C4' energy: -196.987 flat angles P-C4'-P energy: -123.091 tors. eta vs tors. theta energy: -241.303 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: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2570.034620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.034620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.034620 (E_RNA) where: Base-Base interactions energy: -1763.998 where: short stacking energy: -777.412 Base-Backbone interact. energy: 4.553 local terms energy: -810.589963 where: bonds (distance) C4'-P energy: -153.996 bonds (distance) P-C4' energy: -137.772 flat angles C4'-P-C4' energy: -172.007 flat angles P-C4'-P energy: -127.055 tors. eta vs tors. theta energy: -219.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2356.990412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.990412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.990412 (E_RNA) where: Base-Base interactions energy: -1569.124 where: short stacking energy: -679.046 Base-Backbone interact. energy: 0.989 local terms energy: -788.855690 where: bonds (distance) C4'-P energy: -144.494 bonds (distance) P-C4' energy: -161.463 flat angles C4'-P-C4' energy: -184.993 flat angles P-C4'-P energy: -98.540 tors. eta vs tors. theta energy: -199.366 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: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2213.276097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.276097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.276097 (E_RNA) where: Base-Base interactions energy: -1488.642 where: short stacking energy: -649.457 Base-Backbone interact. energy: -1.567 local terms energy: -723.066206 where: bonds (distance) C4'-P energy: -142.648 bonds (distance) P-C4' energy: -139.479 flat angles C4'-P-C4' energy: -168.573 flat angles P-C4'-P energy: -101.013 tors. eta vs tors. theta energy: -171.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1822.452673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.452673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.452673 (E_RNA) where: Base-Base interactions energy: -1127.441 where: short stacking energy: -537.255 Base-Backbone interact. energy: -0.832 local terms energy: -694.180365 where: bonds (distance) C4'-P energy: -143.077 bonds (distance) P-C4' energy: -141.873 flat angles C4'-P-C4' energy: -167.833 flat angles P-C4'-P energy: -100.617 tors. eta vs tors. theta energy: -140.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1435.419254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.419254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.419254 (E_RNA) where: Base-Base interactions energy: -825.442 where: short stacking energy: -394.060 Base-Backbone interact. energy: -2.630 local terms energy: -607.347008 where: bonds (distance) C4'-P energy: -158.677 bonds (distance) P-C4' energy: -148.627 flat angles C4'-P-C4' energy: -134.986 flat angles P-C4'-P energy: -90.494 tors. eta vs tors. theta energy: -74.564 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: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1251.822149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.822149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.822149 (E_RNA) where: Base-Base interactions energy: -725.504 where: short stacking energy: -360.400 Base-Backbone interact. energy: 0.599 local terms energy: -526.918061 where: bonds (distance) C4'-P energy: -125.285 bonds (distance) P-C4' energy: -143.922 flat angles C4'-P-C4' energy: -114.499 flat angles P-C4'-P energy: -86.977 tors. eta vs tors. theta energy: -56.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -923.890046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.890046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.890046 (E_RNA) where: Base-Base interactions energy: -478.268 where: short stacking energy: -279.592 Base-Backbone interact. energy: 4.931 local terms energy: -450.553415 where: bonds (distance) C4'-P energy: -128.307 bonds (distance) P-C4' energy: -125.225 flat angles C4'-P-C4' energy: -134.701 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: 1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -721.835213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.835213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.835213 (E_RNA) where: Base-Base interactions energy: -311.148 where: short stacking energy: -195.829 Base-Backbone interact. energy: -5.095 local terms energy: -405.591976 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -140.219 flat angles C4'-P-C4' energy: -110.075 flat angles P-C4'-P energy: -62.844 tors. eta vs tors. theta energy: 35.088 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: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2708.296120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.296120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.296120 (E_RNA) where: Base-Base interactions energy: -1847.058 where: short stacking energy: -791.307 Base-Backbone interact. energy: -8.656 local terms energy: -852.581608 where: bonds (distance) C4'-P energy: -152.720 bonds (distance) P-C4' energy: -160.649 flat angles C4'-P-C4' energy: -193.620 flat angles P-C4'-P energy: -132.962 tors. eta vs tors. theta energy: -212.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2632.539917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.539917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.539917 (E_RNA) where: Base-Base interactions energy: -1768.116 where: short stacking energy: -804.985 Base-Backbone interact. energy: -1.663 local terms energy: -862.760433 where: bonds (distance) C4'-P energy: -157.598 bonds (distance) P-C4' energy: -162.027 flat angles C4'-P-C4' energy: -182.638 flat angles P-C4'-P energy: -124.724 tors. eta vs tors. theta energy: -235.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2563.748279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.748279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.748279 (E_RNA) where: Base-Base interactions energy: -1767.714 where: short stacking energy: -728.085 Base-Backbone interact. energy: -4.080 local terms energy: -791.954612 where: bonds (distance) C4'-P energy: -153.448 bonds (distance) P-C4' energy: -163.985 flat angles C4'-P-C4' energy: -164.321 flat angles P-C4'-P energy: -110.314 tors. eta vs tors. theta energy: -199.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2372.158938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.158938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.158938 (E_RNA) where: Base-Base interactions energy: -1623.403 where: short stacking energy: -711.355 Base-Backbone interact. energy: -4.975 local terms energy: -743.781529 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -127.832 flat angles C4'-P-C4' energy: -169.029 flat angles P-C4'-P energy: -121.270 tors. eta vs tors. theta energy: -192.974 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: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2144.649227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.649227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.649227 (E_RNA) where: Base-Base interactions energy: -1442.354 where: short stacking energy: -623.093 Base-Backbone interact. energy: -0.493 local terms energy: -701.802073 where: bonds (distance) C4'-P energy: -132.535 bonds (distance) P-C4' energy: -150.052 flat angles C4'-P-C4' energy: -167.830 flat angles P-C4'-P energy: -101.241 tors. eta vs tors. theta energy: -150.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1848.548175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.548175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.548175 (E_RNA) where: Base-Base interactions energy: -1167.288 where: short stacking energy: -504.989 Base-Backbone interact. energy: 1.133 local terms energy: -682.393809 where: bonds (distance) C4'-P energy: -153.159 bonds (distance) P-C4' energy: -146.361 flat angles C4'-P-C4' energy: -139.297 flat angles P-C4'-P energy: -122.198 tors. eta vs tors. theta energy: -121.378 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1369.156954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.156954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.156954 (E_RNA) where: Base-Base interactions energy: -766.717 where: short stacking energy: -396.531 Base-Backbone interact. energy: -2.586 local terms energy: -599.853268 where: bonds (distance) C4'-P energy: -144.705 bonds (distance) P-C4' energy: -164.992 flat angles C4'-P-C4' energy: -131.551 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -71.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1308.627651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.627651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.627651 (E_RNA) where: Base-Base interactions energy: -762.726 where: short stacking energy: -386.731 Base-Backbone interact. energy: -2.929 local terms energy: -542.972713 where: bonds (distance) C4'-P energy: -151.487 bonds (distance) P-C4' energy: -138.045 flat angles C4'-P-C4' energy: -122.515 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: -54.061 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: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -976.657799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.657799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.657799 (E_RNA) where: Base-Base interactions energy: -469.640 where: short stacking energy: -254.892 Base-Backbone interact. energy: -1.846 local terms energy: -505.172228 where: bonds (distance) C4'-P energy: -144.454 bonds (distance) P-C4' energy: -133.457 flat angles C4'-P-C4' energy: -141.376 flat angles P-C4'-P energy: -80.427 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -718.302981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.302981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.302981 (E_RNA) where: Base-Base interactions energy: -297.540 where: short stacking energy: -184.121 Base-Backbone interact. energy: 4.348 local terms energy: -425.111127 where: bonds (distance) C4'-P energy: -128.723 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -113.670 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: 30.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2706.599248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.599248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.599248 (E_RNA) where: Base-Base interactions energy: -1827.770 where: short stacking energy: -773.989 Base-Backbone interact. energy: -9.217 local terms energy: -869.612520 where: bonds (distance) C4'-P energy: -173.274 bonds (distance) P-C4' energy: -166.800 flat angles C4'-P-C4' energy: -193.133 flat angles P-C4'-P energy: -124.288 tors. eta vs tors. theta energy: -212.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2689.359750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.359750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.359750 (E_RNA) where: Base-Base interactions energy: -1827.312 where: short stacking energy: -779.689 Base-Backbone interact. energy: -4.322 local terms energy: -857.725147 where: bonds (distance) C4'-P energy: -162.010 bonds (distance) P-C4' energy: -166.405 flat angles C4'-P-C4' energy: -181.104 flat angles P-C4'-P energy: -125.446 tors. eta vs tors. theta energy: -222.760 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: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2613.196448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.196448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.196448 (E_RNA) where: Base-Base interactions energy: -1821.775 where: short stacking energy: -790.002 Base-Backbone interact. energy: 0.097 local terms energy: -791.518684 where: bonds (distance) C4'-P energy: -149.742 bonds (distance) P-C4' energy: -153.235 flat angles C4'-P-C4' energy: -169.964 flat angles P-C4'-P energy: -101.255 tors. eta vs tors. theta energy: -217.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2278.266696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.266696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.266696 (E_RNA) where: Base-Base interactions energy: -1539.529 where: short stacking energy: -680.116 Base-Backbone interact. energy: 5.182 local terms energy: -743.919396 where: bonds (distance) C4'-P energy: -149.795 bonds (distance) P-C4' energy: -138.974 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -109.724 tors. eta vs tors. theta energy: -180.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2198.466001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.466001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.466001 (E_RNA) where: Base-Base interactions energy: -1477.195 where: short stacking energy: -606.666 Base-Backbone interact. energy: 5.022 local terms energy: -726.293016 where: bonds (distance) C4'-P energy: -149.395 bonds (distance) P-C4' energy: -142.821 flat angles C4'-P-C4' energy: -150.905 flat angles P-C4'-P energy: -112.945 tors. eta vs tors. theta energy: -170.228 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: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1768.921445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.921445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.921445 (E_RNA) where: Base-Base interactions energy: -1097.070 where: short stacking energy: -516.421 Base-Backbone interact. energy: -5.011 local terms energy: -666.839940 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -140.813 flat angles C4'-P-C4' energy: -156.512 flat angles P-C4'-P energy: -92.120 tors. eta vs tors. theta energy: -121.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1390.914848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.914848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.914848 (E_RNA) where: Base-Base interactions energy: -812.038 where: short stacking energy: -398.196 Base-Backbone interact. energy: -4.065 local terms energy: -574.811697 where: bonds (distance) C4'-P energy: -127.909 bonds (distance) P-C4' energy: -150.849 flat angles C4'-P-C4' energy: -155.302 flat angles P-C4'-P energy: -73.254 tors. eta vs tors. theta energy: -67.498 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: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1243.640626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.640626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.640626 (E_RNA) where: Base-Base interactions energy: -679.671 where: short stacking energy: -313.525 Base-Backbone interact. energy: -0.945 local terms energy: -563.025096 where: bonds (distance) C4'-P energy: -152.888 bonds (distance) P-C4' energy: -150.713 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -91.513 tors. eta vs tors. theta energy: -37.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -870.421157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.421157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.421157 (E_RNA) where: Base-Base interactions energy: -427.352 where: short stacking energy: -251.481 Base-Backbone interact. energy: -0.309 local terms energy: -442.760539 where: bonds (distance) C4'-P energy: -133.548 bonds (distance) P-C4' energy: -136.202 flat angles C4'-P-C4' energy: -115.403 flat angles P-C4'-P energy: -63.509 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: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -735.768321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.768321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.768321 (E_RNA) where: Base-Base interactions energy: -289.965 where: short stacking energy: -188.116 Base-Backbone interact. energy: 0.443 local terms energy: -446.246777 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -139.738 flat angles C4'-P-C4' energy: -131.658 flat angles P-C4'-P energy: -71.918 tors. eta vs tors. theta energy: 20.712 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: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2735.656752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.656752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.656752 (E_RNA) where: Base-Base interactions energy: -1894.314 where: short stacking energy: -796.842 Base-Backbone interact. energy: -3.869 local terms energy: -837.474191 where: bonds (distance) C4'-P energy: -152.004 bonds (distance) P-C4' energy: -166.269 flat angles C4'-P-C4' energy: -189.190 flat angles P-C4'-P energy: -119.942 tors. eta vs tors. theta energy: -210.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2659.189971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.189971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.189971 (E_RNA) where: Base-Base interactions energy: -1768.800 where: short stacking energy: -774.244 Base-Backbone interact. energy: -6.862 local terms energy: -883.528591 where: bonds (distance) C4'-P energy: -171.094 bonds (distance) P-C4' energy: -153.679 flat angles C4'-P-C4' energy: -194.987 flat angles P-C4'-P energy: -131.661 tors. eta vs tors. theta energy: -232.106 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: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2586.381754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.381754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.381754 (E_RNA) where: Base-Base interactions energy: -1744.796 where: short stacking energy: -736.615 Base-Backbone interact. energy: -3.005 local terms energy: -838.580847 where: bonds (distance) C4'-P energy: -168.951 bonds (distance) P-C4' energy: -168.105 flat angles C4'-P-C4' energy: -168.484 flat angles P-C4'-P energy: -119.785 tors. eta vs tors. theta energy: -213.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2310.023488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.023488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.023488 (E_RNA) where: Base-Base interactions energy: -1581.504 where: short stacking energy: -688.980 Base-Backbone interact. energy: -7.330 local terms energy: -721.189434 where: bonds (distance) C4'-P energy: -134.401 bonds (distance) P-C4' energy: -145.947 flat angles C4'-P-C4' energy: -166.479 flat angles P-C4'-P energy: -99.261 tors. eta vs tors. theta energy: -175.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2174.699182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.699182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.699182 (E_RNA) where: Base-Base interactions energy: -1440.547 where: short stacking energy: -630.626 Base-Backbone interact. energy: -2.453 local terms energy: -731.698822 where: bonds (distance) C4'-P energy: -142.561 bonds (distance) P-C4' energy: -155.927 flat angles C4'-P-C4' energy: -152.388 flat angles P-C4'-P energy: -112.976 tors. eta vs tors. theta energy: -167.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1769.375263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.375263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.375263 (E_RNA) where: Base-Base interactions energy: -1169.753 where: short stacking energy: -563.665 Base-Backbone interact. energy: 4.196 local terms energy: -603.818355 where: bonds (distance) C4'-P energy: -113.521 bonds (distance) P-C4' energy: -122.851 flat angles C4'-P-C4' energy: -166.398 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -118.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1408.539072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.539072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.539072 (E_RNA) where: Base-Base interactions energy: -838.670 where: short stacking energy: -417.589 Base-Backbone interact. energy: 3.391 local terms energy: -573.260185 where: bonds (distance) C4'-P energy: -137.017 bonds (distance) P-C4' energy: -141.615 flat angles C4'-P-C4' energy: -144.289 flat angles P-C4'-P energy: -90.383 tors. eta vs tors. theta energy: -59.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1223.297538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.297538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.297538 (E_RNA) where: Base-Base interactions energy: -699.726 where: short stacking energy: -339.930 Base-Backbone interact. energy: -1.160 local terms energy: -522.411652 where: bonds (distance) C4'-P energy: -116.084 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -140.620 flat angles P-C4'-P energy: -76.403 tors. eta vs tors. theta energy: -43.245 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: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -907.625819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.625819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.625819 (E_RNA) where: Base-Base interactions energy: -475.072 where: short stacking energy: -285.966 Base-Backbone interact. energy: 12.882 local terms energy: -445.435494 where: bonds (distance) C4'-P energy: -123.982 bonds (distance) P-C4' energy: -143.081 flat angles C4'-P-C4' energy: -105.667 flat angles P-C4'-P energy: -69.094 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -745.389424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.389424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.389424 (E_RNA) where: Base-Base interactions energy: -335.225 where: short stacking energy: -215.063 Base-Backbone interact. energy: 0.031 local terms energy: -410.195141 where: bonds (distance) C4'-P energy: -117.371 bonds (distance) P-C4' energy: -142.445 flat angles C4'-P-C4' energy: -110.303 flat angles P-C4'-P energy: -47.176 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: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2739.873828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.873828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.873828 (E_RNA) where: Base-Base interactions energy: -1896.479 where: short stacking energy: -784.308 Base-Backbone interact. energy: -2.033 local terms energy: -841.362332 where: bonds (distance) C4'-P energy: -160.712 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -190.701 flat angles P-C4'-P energy: -122.232 tors. eta vs tors. theta energy: -216.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2723.708560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.708560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.708560 (E_RNA) where: Base-Base interactions energy: -1837.726 where: short stacking energy: -808.630 Base-Backbone interact. energy: 0.929 local terms energy: -886.911933 where: bonds (distance) C4'-P energy: -162.454 bonds (distance) P-C4' energy: -170.935 flat angles C4'-P-C4' energy: -185.647 flat angles P-C4'-P energy: -123.795 tors. eta vs tors. theta energy: -244.080 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: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2594.341929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.341929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.341929 (E_RNA) where: Base-Base interactions energy: -1766.232 where: short stacking energy: -720.088 Base-Backbone interact. energy: -2.973 local terms energy: -825.136777 where: bonds (distance) C4'-P energy: -171.325 bonds (distance) P-C4' energy: -154.662 flat angles C4'-P-C4' energy: -170.399 flat angles P-C4'-P energy: -106.516 tors. eta vs tors. theta energy: -222.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2315.405591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.405591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.405591 (E_RNA) where: Base-Base interactions energy: -1566.793 where: short stacking energy: -642.183 Base-Backbone interact. energy: -4.123 local terms energy: -744.489798 where: bonds (distance) C4'-P energy: -147.342 bonds (distance) P-C4' energy: -134.948 flat angles C4'-P-C4' energy: -171.631 flat angles P-C4'-P energy: -111.961 tors. eta vs tors. theta energy: -178.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2174.515605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.515605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.515605 (E_RNA) where: Base-Base interactions energy: -1478.693 where: short stacking energy: -646.455 Base-Backbone interact. energy: -2.619 local terms energy: -693.203852 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -112.943 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -105.901 tors. eta vs tors. theta energy: -160.936 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: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1910.055899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.055899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.055899 (E_RNA) where: Base-Base interactions energy: -1264.127 where: short stacking energy: -546.483 Base-Backbone interact. energy: 3.107 local terms energy: -649.036303 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -161.211 flat angles P-C4'-P energy: -80.972 tors. eta vs tors. theta energy: -129.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1518.341114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.341114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.341114 (E_RNA) where: Base-Base interactions energy: -924.327 where: short stacking energy: -460.473 Base-Backbone interact. energy: 3.187 local terms energy: -597.201193 where: bonds (distance) C4'-P energy: -136.832 bonds (distance) P-C4' energy: -157.152 flat angles C4'-P-C4' energy: -136.360 flat angles P-C4'-P energy: -77.155 tors. eta vs tors. theta energy: -89.702 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: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1325.521632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.521632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.521632 (E_RNA) where: Base-Base interactions energy: -789.074 where: short stacking energy: -399.246 Base-Backbone interact. energy: -2.422 local terms energy: -534.026261 where: bonds (distance) C4'-P energy: -118.079 bonds (distance) P-C4' energy: -132.778 flat angles C4'-P-C4' energy: -119.157 flat angles P-C4'-P energy: -99.141 tors. eta vs tors. theta energy: -64.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -954.050792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.050792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.050792 (E_RNA) where: Base-Base interactions energy: -472.923 where: short stacking energy: -283.610 Base-Backbone interact. energy: 4.899 local terms energy: -486.027350 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -134.344 flat angles C4'-P-C4' energy: -117.749 flat angles P-C4'-P energy: -68.415 tors. eta vs tors. theta energy: -18.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -674.466732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.466732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.466732 (E_RNA) where: Base-Base interactions energy: -272.479 where: short stacking energy: -171.855 Base-Backbone interact. energy: -1.173 local terms energy: -400.814875 where: bonds (distance) C4'-P energy: -131.534 bonds (distance) P-C4' energy: -139.429 flat angles C4'-P-C4' energy: -116.370 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: 41.191 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: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2809.868412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.868412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.868412 (E_RNA) where: Base-Base interactions energy: -1905.613 where: short stacking energy: -851.603 Base-Backbone interact. energy: -1.140 local terms energy: -903.114768 where: bonds (distance) C4'-P energy: -178.059 bonds (distance) P-C4' energy: -151.969 flat angles C4'-P-C4' energy: -188.147 flat angles P-C4'-P energy: -132.083 tors. eta vs tors. theta energy: -252.855 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: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2710.853805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.853805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.853805 (E_RNA) where: Base-Base interactions energy: -1860.219 where: short stacking energy: -822.153 Base-Backbone interact. energy: -4.851 local terms energy: -845.783871 where: bonds (distance) C4'-P energy: -159.591 bonds (distance) P-C4' energy: -158.651 flat angles C4'-P-C4' energy: -180.474 flat angles P-C4'-P energy: -118.077 tors. eta vs tors. theta energy: -228.991 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: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2566.745206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.745206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.745206 (E_RNA) where: Base-Base interactions energy: -1757.886 where: short stacking energy: -755.389 Base-Backbone interact. energy: -1.524 local terms energy: -807.334641 where: bonds (distance) C4'-P energy: -142.364 bonds (distance) P-C4' energy: -175.440 flat angles C4'-P-C4' energy: -163.693 flat angles P-C4'-P energy: -105.729 tors. eta vs tors. theta energy: -220.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2321.645691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.645691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.645691 (E_RNA) where: Base-Base interactions energy: -1580.973 where: short stacking energy: -667.700 Base-Backbone interact. energy: -2.183 local terms energy: -738.490072 where: bonds (distance) C4'-P energy: -129.847 bonds (distance) P-C4' energy: -163.921 flat angles C4'-P-C4' energy: -163.648 flat angles P-C4'-P energy: -109.634 tors. eta vs tors. theta energy: -171.440 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: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2278.290056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.290056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.290056 (E_RNA) where: Base-Base interactions energy: -1522.219 where: short stacking energy: -667.905 Base-Backbone interact. energy: -2.878 local terms energy: -753.193701 where: bonds (distance) C4'-P energy: -155.589 bonds (distance) P-C4' energy: -134.211 flat angles C4'-P-C4' energy: -181.788 flat angles P-C4'-P energy: -100.758 tors. eta vs tors. theta energy: -180.848 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: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1825.042012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.042012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.042012 (E_RNA) where: Base-Base interactions energy: -1178.922 where: short stacking energy: -500.567 Base-Backbone interact. energy: 0.005 local terms energy: -646.124579 where: bonds (distance) C4'-P energy: -133.937 bonds (distance) P-C4' energy: -131.681 flat angles C4'-P-C4' energy: -159.857 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -129.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1530.796662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.796662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.796662 (E_RNA) where: Base-Base interactions energy: -919.733 where: short stacking energy: -464.655 Base-Backbone interact. energy: 1.632 local terms energy: -612.695879 where: bonds (distance) C4'-P energy: -138.330 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -145.837 flat angles P-C4'-P energy: -69.591 tors. eta vs tors. theta energy: -110.163 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: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1277.509774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.509774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.509774 (E_RNA) where: Base-Base interactions energy: -763.110 where: short stacking energy: -372.802 Base-Backbone interact. energy: -0.753 local terms energy: -513.646535 where: bonds (distance) C4'-P energy: -123.196 bonds (distance) P-C4' energy: -128.788 flat angles C4'-P-C4' energy: -137.857 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -60.918 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: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -987.221933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.221933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.221933 (E_RNA) where: Base-Base interactions energy: -536.404 where: short stacking energy: -257.241 Base-Backbone interact. energy: 8.035 local terms energy: -458.853016 where: bonds (distance) C4'-P energy: -123.642 bonds (distance) P-C4' energy: -150.533 flat angles C4'-P-C4' energy: -116.699 flat angles P-C4'-P energy: -68.820 tors. eta vs tors. theta energy: 0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -749.865297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.865297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.865297 (E_RNA) where: Base-Base interactions energy: -308.528 where: short stacking energy: -212.921 Base-Backbone interact. energy: 7.222 local terms energy: -448.558935 where: bonds (distance) C4'-P energy: -130.449 bonds (distance) P-C4' energy: -151.739 flat angles C4'-P-C4' energy: -115.522 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2770.522947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.522947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.522947 (E_RNA) where: Base-Base interactions energy: -1855.339 where: short stacking energy: -802.214 Base-Backbone interact. energy: -2.826 local terms energy: -912.357900 where: bonds (distance) C4'-P energy: -174.604 bonds (distance) P-C4' energy: -177.679 flat angles C4'-P-C4' energy: -198.185 flat angles P-C4'-P energy: -110.684 tors. eta vs tors. theta energy: -251.206 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: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2636.717527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.717527 (E_RNA) where: Base-Base interactions energy: -1771.835 where: short stacking energy: -757.873 Base-Backbone interact. energy: -2.170 local terms energy: -862.711994 where: bonds (distance) C4'-P energy: -168.571 bonds (distance) P-C4' energy: -179.787 flat angles C4'-P-C4' energy: -190.850 flat angles P-C4'-P energy: -118.922 tors. eta vs tors. theta energy: -204.582 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2633.646549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.646549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.646549 (E_RNA) where: Base-Base interactions energy: -1800.976 where: short stacking energy: -750.165 Base-Backbone interact. energy: -2.478 local terms energy: -830.192590 where: bonds (distance) C4'-P energy: -163.612 bonds (distance) P-C4' energy: -164.371 flat angles C4'-P-C4' energy: -181.218 flat angles P-C4'-P energy: -105.787 tors. eta vs tors. theta energy: -215.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2336.190534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.190534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.190534 (E_RNA) where: Base-Base interactions energy: -1607.853 where: short stacking energy: -695.130 Base-Backbone interact. energy: -1.263 local terms energy: -727.074739 where: bonds (distance) C4'-P energy: -130.321 bonds (distance) P-C4' energy: -154.956 flat angles C4'-P-C4' energy: -175.260 flat angles P-C4'-P energy: -105.149 tors. eta vs tors. theta energy: -161.388 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: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2167.288296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.288296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.288296 (E_RNA) where: Base-Base interactions energy: -1432.109 where: short stacking energy: -604.287 Base-Backbone interact. energy: 9.097 local terms energy: -744.275786 where: bonds (distance) C4'-P energy: -162.378 bonds (distance) P-C4' energy: -148.455 flat angles C4'-P-C4' energy: -172.032 flat angles P-C4'-P energy: -106.471 tors. eta vs tors. theta energy: -154.941 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: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1884.043076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.043076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.043076 (E_RNA) where: Base-Base interactions energy: -1266.865 where: short stacking energy: -552.453 Base-Backbone interact. energy: -4.715 local terms energy: -612.463391 where: bonds (distance) C4'-P energy: -126.132 bonds (distance) P-C4' energy: -139.057 flat angles C4'-P-C4' energy: -120.503 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -132.288 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1603.944874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.944874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.944874 (E_RNA) where: Base-Base interactions energy: -1006.724 where: short stacking energy: -452.722 Base-Backbone interact. energy: 8.883 local terms energy: -606.103937 where: bonds (distance) C4'-P energy: -144.510 bonds (distance) P-C4' energy: -143.651 flat angles C4'-P-C4' energy: -147.476 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -76.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1300.831150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.831150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.831150 (E_RNA) where: Base-Base interactions energy: -739.155 where: short stacking energy: -358.190 Base-Backbone interact. energy: 1.382 local terms energy: -563.058904 where: bonds (distance) C4'-P energy: -135.452 bonds (distance) P-C4' energy: -148.477 flat angles C4'-P-C4' energy: -127.940 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -53.772 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: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1057.857873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.857873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.857873 (E_RNA) where: Base-Base interactions energy: -544.645 where: short stacking energy: -260.998 Base-Backbone interact. energy: 0.830 local terms energy: -514.042648 where: bonds (distance) C4'-P energy: -142.672 bonds (distance) P-C4' energy: -143.379 flat angles C4'-P-C4' energy: -132.302 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -27.256 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: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -742.103918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.103918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.103918 (E_RNA) where: Base-Base interactions energy: -359.774 where: short stacking energy: -218.121 Base-Backbone interact. energy: 0.910 local terms energy: -383.240347 where: bonds (distance) C4'-P energy: -129.094 bonds (distance) P-C4' energy: -111.190 flat angles C4'-P-C4' energy: -118.498 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: 30.815 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: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2807.043919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.043919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.043919 (E_RNA) where: Base-Base interactions energy: -1919.501 where: short stacking energy: -820.596 Base-Backbone interact. energy: -5.335 local terms energy: -882.207933 where: bonds (distance) C4'-P energy: -167.753 bonds (distance) P-C4' energy: -162.794 flat angles C4'-P-C4' energy: -180.403 flat angles P-C4'-P energy: -118.626 tors. eta vs tors. theta energy: -252.633 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: 112 Temperature: 0.950000 Total energy: -2690.331544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.331544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.331544 (E_RNA) where: Base-Base interactions energy: -1848.675 where: short stacking energy: -788.947 Base-Backbone interact. energy: -5.839 local terms energy: -835.818097 where: bonds (distance) C4'-P energy: -158.509 bonds (distance) P-C4' energy: -159.324 flat angles C4'-P-C4' energy: -182.695 flat angles P-C4'-P energy: -121.797 tors. eta vs tors. theta energy: -213.493 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: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2616.467781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.467781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.467781 (E_RNA) where: Base-Base interactions energy: -1776.610 where: short stacking energy: -769.363 Base-Backbone interact. energy: -3.936 local terms energy: -835.922146 where: bonds (distance) C4'-P energy: -162.674 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -172.448 flat angles P-C4'-P energy: -125.544 tors. eta vs tors. theta energy: -232.898 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: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2328.325965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.325965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.325965 (E_RNA) where: Base-Base interactions energy: -1578.170 where: short stacking energy: -681.793 Base-Backbone interact. energy: -1.837 local terms energy: -748.318152 where: bonds (distance) C4'-P energy: -148.997 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -170.891 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -179.919 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: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2110.623440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.623440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.623440 (E_RNA) where: Base-Base interactions energy: -1396.187 where: short stacking energy: -588.144 Base-Backbone interact. energy: 0.803 local terms energy: -715.239644 where: bonds (distance) C4'-P energy: -144.819 bonds (distance) P-C4' energy: -161.232 flat angles C4'-P-C4' energy: -154.860 flat angles P-C4'-P energy: -97.167 tors. eta vs tors. theta energy: -157.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1876.033471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.033471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.033471 (E_RNA) where: Base-Base interactions energy: -1199.422 where: short stacking energy: -540.154 Base-Backbone interact. energy: -1.017 local terms energy: -675.594257 where: bonds (distance) C4'-P energy: -144.267 bonds (distance) P-C4' energy: -143.630 flat angles C4'-P-C4' energy: -153.776 flat angles P-C4'-P energy: -93.425 tors. eta vs tors. theta energy: -140.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1586.176187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.176187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.176187 (E_RNA) where: Base-Base interactions energy: -959.967 where: short stacking energy: -452.468 Base-Backbone interact. energy: -0.579 local terms energy: -625.630062 where: bonds (distance) C4'-P energy: -157.550 bonds (distance) P-C4' energy: -149.897 flat angles C4'-P-C4' energy: -147.419 flat angles P-C4'-P energy: -84.918 tors. eta vs tors. theta energy: -85.847 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: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1255.136620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.136620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.136620 (E_RNA) where: Base-Base interactions energy: -747.844 where: short stacking energy: -329.130 Base-Backbone interact. energy: -1.997 local terms energy: -505.296140 where: bonds (distance) C4'-P energy: -124.126 bonds (distance) P-C4' energy: -131.938 flat angles C4'-P-C4' energy: -123.281 flat angles P-C4'-P energy: -77.215 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: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -998.718970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.718970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.718970 (E_RNA) where: Base-Base interactions energy: -504.466 where: short stacking energy: -256.823 Base-Backbone interact. energy: 0.852 local terms energy: -495.105333 where: bonds (distance) C4'-P energy: -137.217 bonds (distance) P-C4' energy: -134.882 flat angles C4'-P-C4' energy: -126.011 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -16.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -778.298903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.298903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.298903 (E_RNA) where: Base-Base interactions energy: -350.753 where: short stacking energy: -216.147 Base-Backbone interact. energy: 1.587 local terms energy: -429.133327 where: bonds (distance) C4'-P energy: -120.191 bonds (distance) P-C4' energy: -127.059 flat angles C4'-P-C4' energy: -123.974 flat angles P-C4'-P energy: -72.642 tors. eta vs tors. theta energy: 14.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2826.830129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.830129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.830129 (E_RNA) where: Base-Base interactions energy: -1910.383 where: short stacking energy: -812.334 Base-Backbone interact. energy: -4.486 local terms energy: -911.961318 where: bonds (distance) C4'-P energy: -169.849 bonds (distance) P-C4' energy: -171.842 flat angles C4'-P-C4' energy: -198.467 flat angles P-C4'-P energy: -117.233 tors. eta vs tors. theta energy: -254.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2641.088628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.088628 (E_RNA) where: Base-Base interactions energy: -1818.104 where: short stacking energy: -769.807 Base-Backbone interact. energy: -1.144 local terms energy: -821.840146 where: bonds (distance) C4'-P energy: -157.763 bonds (distance) P-C4' energy: -148.872 flat angles C4'-P-C4' energy: -177.070 flat angles P-C4'-P energy: -125.325 tors. eta vs tors. theta energy: -212.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2579.412122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.412122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.412122 (E_RNA) where: Base-Base interactions energy: -1772.258 where: short stacking energy: -750.333 Base-Backbone interact. energy: 0.873 local terms energy: -808.026936 where: bonds (distance) C4'-P energy: -161.259 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -180.930 flat angles P-C4'-P energy: -103.049 tors. eta vs tors. theta energy: -205.405 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: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2365.116822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.116822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.116822 (E_RNA) where: Base-Base interactions energy: -1582.195 where: short stacking energy: -700.028 Base-Backbone interact. energy: -3.539 local terms energy: -779.382500 where: bonds (distance) C4'-P energy: -158.058 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -163.589 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -189.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2177.846142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.846142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.846142 (E_RNA) where: Base-Base interactions energy: -1459.492 where: short stacking energy: -642.572 Base-Backbone interact. energy: -3.356 local terms energy: -714.998267 where: bonds (distance) C4'-P energy: -147.159 bonds (distance) P-C4' energy: -132.739 flat angles C4'-P-C4' energy: -157.083 flat angles P-C4'-P energy: -107.629 tors. eta vs tors. theta energy: -170.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1876.935004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.935004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.935004 (E_RNA) where: Base-Base interactions energy: -1186.160 where: short stacking energy: -542.721 Base-Backbone interact. energy: -2.560 local terms energy: -688.215375 where: bonds (distance) C4'-P energy: -134.691 bonds (distance) P-C4' energy: -155.309 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -106.257 tors. eta vs tors. theta energy: -140.914 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: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1554.356603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.356603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.356603 (E_RNA) where: Base-Base interactions energy: -968.205 where: short stacking energy: -450.044 Base-Backbone interact. energy: 4.884 local terms energy: -591.035539 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -145.837 flat angles C4'-P-C4' energy: -146.422 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: -74.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1220.732861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.732861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.732861 (E_RNA) where: Base-Base interactions energy: -714.418 where: short stacking energy: -355.466 Base-Backbone interact. energy: -1.268 local terms energy: -505.047091 where: bonds (distance) C4'-P energy: -104.938 bonds (distance) P-C4' energy: -154.729 flat angles C4'-P-C4' energy: -126.578 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -37.668 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: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -976.134318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.134318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.134318 (E_RNA) where: Base-Base interactions energy: -530.392 where: short stacking energy: -284.276 Base-Backbone interact. energy: 2.375 local terms energy: -448.117525 where: bonds (distance) C4'-P energy: -101.200 bonds (distance) P-C4' energy: -127.920 flat angles C4'-P-C4' energy: -142.390 flat angles P-C4'-P energy: -65.984 tors. eta vs tors. theta energy: -10.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -768.317961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.317961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.317961 (E_RNA) where: Base-Base interactions energy: -357.370 where: short stacking energy: -205.315 Base-Backbone interact. energy: -0.373 local terms energy: -410.575173 where: bonds (distance) C4'-P energy: -108.222 bonds (distance) P-C4' energy: -121.835 flat angles C4'-P-C4' energy: -110.314 flat angles P-C4'-P energy: -76.767 tors. eta vs tors. theta energy: 6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2822.481300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.481300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.481300 (E_RNA) where: Base-Base interactions energy: -1932.034 where: short stacking energy: -841.752 Base-Backbone interact. energy: -2.052 local terms energy: -888.395330 where: bonds (distance) C4'-P energy: -162.990 bonds (distance) P-C4' energy: -160.540 flat angles C4'-P-C4' energy: -174.090 flat angles P-C4'-P energy: -128.500 tors. eta vs tors. theta energy: -262.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2617.579105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.579105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.579105 (E_RNA) where: Base-Base interactions energy: -1787.387 where: short stacking energy: -765.393 Base-Backbone interact. energy: -2.019 local terms energy: -828.174056 where: bonds (distance) C4'-P energy: -154.927 bonds (distance) P-C4' energy: -156.337 flat angles C4'-P-C4' energy: -174.152 flat angles P-C4'-P energy: -126.720 tors. eta vs tors. theta energy: -216.039 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: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2565.081255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.081255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.081255 (E_RNA) where: Base-Base interactions energy: -1739.595 where: short stacking energy: -707.768 Base-Backbone interact. energy: 0.415 local terms energy: -825.901120 where: bonds (distance) C4'-P energy: -161.285 bonds (distance) P-C4' energy: -167.212 flat angles C4'-P-C4' energy: -182.502 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -210.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2366.714528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.714528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.714528 (E_RNA) where: Base-Base interactions energy: -1603.607 where: short stacking energy: -673.436 Base-Backbone interact. energy: 6.544 local terms energy: -769.650953 where: bonds (distance) C4'-P energy: -151.019 bonds (distance) P-C4' energy: -168.488 flat angles C4'-P-C4' energy: -161.355 flat angles P-C4'-P energy: -98.306 tors. eta vs tors. theta energy: -190.483 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: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2120.947851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.947851 (E_RNA) where: Base-Base interactions energy: -1405.707 where: short stacking energy: -613.212 Base-Backbone interact. energy: -1.569 local terms energy: -713.671862 where: bonds (distance) C4'-P energy: -133.756 bonds (distance) P-C4' energy: -167.394 flat angles C4'-P-C4' energy: -141.152 flat angles P-C4'-P energy: -117.027 tors. eta vs tors. theta energy: -154.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1842.832585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.832585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.832585 (E_RNA) where: Base-Base interactions energy: -1191.639 where: short stacking energy: -538.267 Base-Backbone interact. energy: 0.772 local terms energy: -651.965094 where: bonds (distance) C4'-P energy: -136.102 bonds (distance) P-C4' energy: -143.586 flat angles C4'-P-C4' energy: -143.784 flat angles P-C4'-P energy: -93.550 tors. eta vs tors. theta energy: -134.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1620.787690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.787690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.787690 (E_RNA) where: Base-Base interactions energy: -1031.837 where: short stacking energy: -465.889 Base-Backbone interact. energy: -2.239 local terms energy: -586.711860 where: bonds (distance) C4'-P energy: -140.269 bonds (distance) P-C4' energy: -117.378 flat angles C4'-P-C4' energy: -149.689 flat angles P-C4'-P energy: -87.300 tors. eta vs tors. theta energy: -92.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1220.521955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.521955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.521955 (E_RNA) where: Base-Base interactions energy: -666.863 where: short stacking energy: -329.278 Base-Backbone interact. energy: -2.833 local terms energy: -550.826378 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -151.963 flat angles C4'-P-C4' energy: -120.281 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -40.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -941.604994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.604994 (E_RNA) where: Base-Base interactions energy: -460.679 where: short stacking energy: -242.883 Base-Backbone interact. energy: -0.474 local terms energy: -480.451242 where: bonds (distance) C4'-P energy: -127.937 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -126.280 flat angles P-C4'-P energy: -76.286 tors. eta vs tors. theta energy: -0.224 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: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -803.216917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.216917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.216917 (E_RNA) where: Base-Base interactions energy: -384.954 where: short stacking energy: -223.996 Base-Backbone interact. energy: 1.327 local terms energy: -419.590394 where: bonds (distance) C4'-P energy: -131.144 bonds (distance) P-C4' energy: -130.769 flat angles C4'-P-C4' energy: -112.759 flat angles P-C4'-P energy: -60.749 tors. eta vs tors. theta energy: 15.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2785.024444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.024444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.024444 (E_RNA) where: Base-Base interactions energy: -1923.972 where: short stacking energy: -822.063 Base-Backbone interact. energy: -2.799 local terms energy: -858.252945 where: bonds (distance) C4'-P energy: -156.376 bonds (distance) P-C4' energy: -164.350 flat angles C4'-P-C4' energy: -174.998 flat angles P-C4'-P energy: -119.812 tors. eta vs tors. theta energy: -242.718 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: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2644.562264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.562264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.562264 (E_RNA) where: Base-Base interactions energy: -1811.477 where: short stacking energy: -781.122 Base-Backbone interact. energy: -2.390 local terms energy: -830.696012 where: bonds (distance) C4'-P energy: -162.353 bonds (distance) P-C4' energy: -147.141 flat angles C4'-P-C4' energy: -196.206 flat angles P-C4'-P energy: -113.782 tors. eta vs tors. theta energy: -211.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2560.503916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.503916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.503916 (E_RNA) where: Base-Base interactions energy: -1719.918 where: short stacking energy: -723.046 Base-Backbone interact. energy: 1.168 local terms energy: -841.753830 where: bonds (distance) C4'-P energy: -155.576 bonds (distance) P-C4' energy: -162.990 flat angles C4'-P-C4' energy: -184.527 flat angles P-C4'-P energy: -128.409 tors. eta vs tors. theta energy: -210.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2417.576207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.576207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.576207 (E_RNA) where: Base-Base interactions energy: -1653.665 where: short stacking energy: -719.315 Base-Backbone interact. energy: -1.663 local terms energy: -762.248187 where: bonds (distance) C4'-P energy: -145.759 bonds (distance) P-C4' energy: -165.264 flat angles C4'-P-C4' energy: -171.462 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -198.083 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: 115 Temperature: 1.100000 Total energy: -2189.404795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.404795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.404795 (E_RNA) where: Base-Base interactions energy: -1485.335 where: short stacking energy: -611.887 Base-Backbone interact. energy: -3.361 local terms energy: -700.709456 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -138.123 flat angles C4'-P-C4' energy: -158.505 flat angles P-C4'-P energy: -93.508 tors. eta vs tors. theta energy: -168.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1844.114387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.114387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.114387 (E_RNA) where: Base-Base interactions energy: -1191.805 where: short stacking energy: -544.600 Base-Backbone interact. energy: 1.536 local terms energy: -653.846102 where: bonds (distance) C4'-P energy: -125.182 bonds (distance) P-C4' energy: -132.958 flat angles C4'-P-C4' energy: -160.131 flat angles P-C4'-P energy: -96.310 tors. eta vs tors. theta energy: -139.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1641.120640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.120640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.120640 (E_RNA) where: Base-Base interactions energy: -1032.791 where: short stacking energy: -485.580 Base-Backbone interact. energy: -2.721 local terms energy: -605.608845 where: bonds (distance) C4'-P energy: -124.435 bonds (distance) P-C4' energy: -161.502 flat angles C4'-P-C4' energy: -129.214 flat angles P-C4'-P energy: -93.321 tors. eta vs tors. theta energy: -97.137 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: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1211.387583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.387583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.387583 (E_RNA) where: Base-Base interactions energy: -702.805 where: short stacking energy: -356.556 Base-Backbone interact. energy: -0.137 local terms energy: -508.446172 where: bonds (distance) C4'-P energy: -119.227 bonds (distance) P-C4' energy: -140.466 flat angles C4'-P-C4' energy: -117.461 flat angles P-C4'-P energy: -84.992 tors. eta vs tors. theta energy: -46.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -916.505650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.505650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.505650 (E_RNA) where: Base-Base interactions energy: -439.753 where: short stacking energy: -238.238 Base-Backbone interact. energy: -0.948 local terms energy: -475.804683 where: bonds (distance) C4'-P energy: -126.730 bonds (distance) P-C4' energy: -148.163 flat angles C4'-P-C4' energy: -119.936 flat angles P-C4'-P energy: -78.630 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -718.062050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.062050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.062050 (E_RNA) where: Base-Base interactions energy: -287.795 where: short stacking energy: -188.413 Base-Backbone interact. energy: -0.434 local terms energy: -429.832886 where: bonds (distance) C4'-P energy: -135.774 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -96.835 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -3.469 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: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2829.340334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.340334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.340334 (E_RNA) where: Base-Base interactions energy: -1919.546 where: short stacking energy: -824.426 Base-Backbone interact. energy: -6.365 local terms energy: -903.429328 where: bonds (distance) C4'-P energy: -159.004 bonds (distance) P-C4' energy: -170.380 flat angles C4'-P-C4' energy: -179.547 flat angles P-C4'-P energy: -134.064 tors. eta vs tors. theta energy: -260.433 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: 116 Temperature: 0.950000 Total energy: -2710.018917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.018917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.018917 (E_RNA) where: Base-Base interactions energy: -1842.636 where: short stacking energy: -793.868 Base-Backbone interact. energy: -2.032 local terms energy: -865.350413 where: bonds (distance) C4'-P energy: -167.644 bonds (distance) P-C4' energy: -176.085 flat angles C4'-P-C4' energy: -189.379 flat angles P-C4'-P energy: -113.766 tors. eta vs tors. theta energy: -218.476 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: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2591.180280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.180280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.180280 (E_RNA) where: Base-Base interactions energy: -1773.123 where: short stacking energy: -758.918 Base-Backbone interact. energy: -5.404 local terms energy: -812.652712 where: bonds (distance) C4'-P energy: -143.572 bonds (distance) P-C4' energy: -147.111 flat angles C4'-P-C4' energy: -181.973 flat angles P-C4'-P energy: -120.738 tors. eta vs tors. theta energy: -219.258 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: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2417.624819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.624819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.624819 (E_RNA) where: Base-Base interactions energy: -1618.183 where: short stacking energy: -668.502 Base-Backbone interact. energy: -1.200 local terms energy: -798.241568 where: bonds (distance) C4'-P energy: -147.512 bonds (distance) P-C4' energy: -168.064 flat angles C4'-P-C4' energy: -166.727 flat angles P-C4'-P energy: -131.208 tors. eta vs tors. theta energy: -184.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2204.334565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.334565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.334565 (E_RNA) where: Base-Base interactions energy: -1491.397 where: short stacking energy: -648.269 Base-Backbone interact. energy: -2.975 local terms energy: -709.962973 where: bonds (distance) C4'-P energy: -136.594 bonds (distance) P-C4' energy: -141.780 flat angles C4'-P-C4' energy: -161.586 flat angles P-C4'-P energy: -102.397 tors. eta vs tors. theta energy: -167.605 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: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1822.545765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.545765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.545765 (E_RNA) where: Base-Base interactions energy: -1153.392 where: short stacking energy: -501.471 Base-Backbone interact. energy: -4.529 local terms energy: -664.624457 where: bonds (distance) C4'-P energy: -148.947 bonds (distance) P-C4' energy: -145.279 flat angles C4'-P-C4' energy: -164.741 flat angles P-C4'-P energy: -88.125 tors. eta vs tors. theta energy: -117.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1606.208336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.208336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.208336 (E_RNA) where: Base-Base interactions energy: -1005.004 where: short stacking energy: -464.186 Base-Backbone interact. energy: -2.345 local terms energy: -598.859148 where: bonds (distance) C4'-P energy: -147.366 bonds (distance) P-C4' energy: -132.354 flat angles C4'-P-C4' energy: -140.225 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -101.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1134.031962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.031962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.031962 (E_RNA) where: Base-Base interactions energy: -628.134 where: short stacking energy: -288.209 Base-Backbone interact. energy: -2.319 local terms energy: -503.579156 where: bonds (distance) C4'-P energy: -139.611 bonds (distance) P-C4' energy: -134.646 flat angles C4'-P-C4' energy: -139.626 flat angles P-C4'-P energy: -67.397 tors. eta vs tors. theta energy: -22.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -959.779715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.779715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.779715 (E_RNA) where: Base-Base interactions energy: -500.413 where: short stacking energy: -263.226 Base-Backbone interact. energy: -2.725 local terms energy: -456.641127 where: bonds (distance) C4'-P energy: -148.078 bonds (distance) P-C4' energy: -125.989 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -65.426 tors. eta vs tors. theta energy: -10.420 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: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -705.300549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.300549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.300549 (E_RNA) where: Base-Base interactions energy: -306.332 where: short stacking energy: -191.902 Base-Backbone interact. energy: 14.544 local terms energy: -413.512369 where: bonds (distance) C4'-P energy: -119.105 bonds (distance) P-C4' energy: -152.326 flat angles C4'-P-C4' energy: -107.183 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: 30.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2816.612922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.612922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.612922 (E_RNA) where: Base-Base interactions energy: -1930.056 where: short stacking energy: -837.602 Base-Backbone interact. energy: 0.328 local terms energy: -886.884432 where: bonds (distance) C4'-P energy: -158.080 bonds (distance) P-C4' energy: -171.613 flat angles C4'-P-C4' energy: -179.988 flat angles P-C4'-P energy: -135.311 tors. eta vs tors. theta energy: -241.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2635.666413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.666413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.666413 (E_RNA) where: Base-Base interactions energy: -1816.141 where: short stacking energy: -764.260 Base-Backbone interact. energy: -3.725 local terms energy: -815.800873 where: bonds (distance) C4'-P energy: -143.969 bonds (distance) P-C4' energy: -145.140 flat angles C4'-P-C4' energy: -177.977 flat angles P-C4'-P energy: -125.049 tors. eta vs tors. theta energy: -223.666 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: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2619.646856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.646856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.646856 (E_RNA) where: Base-Base interactions energy: -1788.426 where: short stacking energy: -740.573 Base-Backbone interact. energy: -5.911 local terms energy: -825.309918 where: bonds (distance) C4'-P energy: -168.098 bonds (distance) P-C4' energy: -141.342 flat angles C4'-P-C4' energy: -185.134 flat angles P-C4'-P energy: -102.793 tors. eta vs tors. theta energy: -227.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2350.118784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.118784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.118784 (E_RNA) where: Base-Base interactions energy: -1582.115 where: short stacking energy: -693.446 Base-Backbone interact. energy: -0.112 local terms energy: -767.891141 where: bonds (distance) C4'-P energy: -151.005 bonds (distance) P-C4' energy: -151.071 flat angles C4'-P-C4' energy: -167.715 flat angles P-C4'-P energy: -111.150 tors. eta vs tors. theta energy: -186.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2149.953588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.953588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.953588 (E_RNA) where: Base-Base interactions energy: -1407.974 where: short stacking energy: -618.863 Base-Backbone interact. energy: 4.955 local terms energy: -746.934289 where: bonds (distance) C4'-P energy: -162.952 bonds (distance) P-C4' energy: -152.642 flat angles C4'-P-C4' energy: -156.674 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -172.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1828.286149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.286149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.286149 (E_RNA) where: Base-Base interactions energy: -1161.538 where: short stacking energy: -517.322 Base-Backbone interact. energy: 4.372 local terms energy: -671.120175 where: bonds (distance) C4'-P energy: -138.177 bonds (distance) P-C4' energy: -134.732 flat angles C4'-P-C4' energy: -155.655 flat angles P-C4'-P energy: -111.582 tors. eta vs tors. theta energy: -130.974 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: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1653.738657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.738657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.738657 (E_RNA) where: Base-Base interactions energy: -1017.596 where: short stacking energy: -466.640 Base-Backbone interact. energy: -4.217 local terms energy: -631.925411 where: bonds (distance) C4'-P energy: -152.235 bonds (distance) P-C4' energy: -143.253 flat angles C4'-P-C4' energy: -150.434 flat angles P-C4'-P energy: -102.370 tors. eta vs tors. theta energy: -83.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1149.702281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.702281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.702281 (E_RNA) where: Base-Base interactions energy: -626.266 where: short stacking energy: -341.973 Base-Backbone interact. energy: -0.538 local terms energy: -522.898880 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -147.585 flat angles C4'-P-C4' energy: -122.371 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -35.311 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: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -847.865420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.865420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.865420 (E_RNA) where: Base-Base interactions energy: -419.818 where: short stacking energy: -275.626 Base-Backbone interact. energy: -0.948 local terms energy: -427.099027 where: bonds (distance) C4'-P energy: -128.274 bonds (distance) P-C4' energy: -135.627 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -26.350 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: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -713.335814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.335814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.335814 (E_RNA) where: Base-Base interactions energy: -329.533 where: short stacking energy: -203.198 Base-Backbone interact. energy: 2.143 local terms energy: -385.946083 where: bonds (distance) C4'-P energy: -144.550 bonds (distance) P-C4' energy: -107.802 flat angles C4'-P-C4' energy: -116.588 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: 32.539 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: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2839.827152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.827152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.827152 (E_RNA) where: Base-Base interactions energy: -1942.665 where: short stacking energy: -846.647 Base-Backbone interact. energy: -3.611 local terms energy: -893.551589 where: bonds (distance) C4'-P energy: -156.038 bonds (distance) P-C4' energy: -158.774 flat angles C4'-P-C4' energy: -188.117 flat angles P-C4'-P energy: -143.249 tors. eta vs tors. theta energy: -247.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2622.990216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.990216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.990216 (E_RNA) where: Base-Base interactions energy: -1765.776 where: short stacking energy: -735.176 Base-Backbone interact. energy: -6.077 local terms energy: -851.137392 where: bonds (distance) C4'-P energy: -175.630 bonds (distance) P-C4' energy: -158.814 flat angles C4'-P-C4' energy: -194.575 flat angles P-C4'-P energy: -114.386 tors. eta vs tors. theta energy: -207.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2628.351330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.351330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.351330 (E_RNA) where: Base-Base interactions energy: -1778.929 where: short stacking energy: -772.883 Base-Backbone interact. energy: -4.206 local terms energy: -845.216396 where: bonds (distance) C4'-P energy: -157.074 bonds (distance) P-C4' energy: -168.118 flat angles C4'-P-C4' energy: -169.554 flat angles P-C4'-P energy: -113.658 tors. eta vs tors. theta energy: -236.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2407.692111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.692111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.692111 (E_RNA) where: Base-Base interactions energy: -1631.994 where: short stacking energy: -710.201 Base-Backbone interact. energy: -1.982 local terms energy: -773.715885 where: bonds (distance) C4'-P energy: -141.249 bonds (distance) P-C4' energy: -168.659 flat angles C4'-P-C4' energy: -167.890 flat angles P-C4'-P energy: -103.421 tors. eta vs tors. theta energy: -192.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2144.436175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.436175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.436175 (E_RNA) where: Base-Base interactions energy: -1430.798 where: short stacking energy: -617.593 Base-Backbone interact. energy: 1.547 local terms energy: -715.184405 where: bonds (distance) C4'-P energy: -122.862 bonds (distance) P-C4' energy: -135.437 flat angles C4'-P-C4' energy: -174.318 flat angles P-C4'-P energy: -120.818 tors. eta vs tors. theta energy: -161.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1799.846501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.846501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.846501 (E_RNA) where: Base-Base interactions energy: -1143.240 where: short stacking energy: -493.845 Base-Backbone interact. energy: 2.742 local terms energy: -659.348516 where: bonds (distance) C4'-P energy: -154.981 bonds (distance) P-C4' energy: -157.214 flat angles C4'-P-C4' energy: -148.056 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -115.830 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: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1640.073337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.073337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.073337 (E_RNA) where: Base-Base interactions energy: -997.946 where: short stacking energy: -448.736 Base-Backbone interact. energy: -2.589 local terms energy: -639.538642 where: bonds (distance) C4'-P energy: -142.918 bonds (distance) P-C4' energy: -153.393 flat angles C4'-P-C4' energy: -163.089 flat angles P-C4'-P energy: -89.106 tors. eta vs tors. theta energy: -91.032 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: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1171.733356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.733356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.733356 (E_RNA) where: Base-Base interactions energy: -642.072 where: short stacking energy: -314.246 Base-Backbone interact. energy: 2.743 local terms energy: -532.404264 where: bonds (distance) C4'-P energy: -133.810 bonds (distance) P-C4' energy: -156.535 flat angles C4'-P-C4' energy: -136.847 flat angles P-C4'-P energy: -80.579 tors. eta vs tors. theta energy: -24.633 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: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -902.157847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.157847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.157847 (E_RNA) where: Base-Base interactions energy: -427.818 where: short stacking energy: -263.696 Base-Backbone interact. energy: -3.509 local terms energy: -470.830850 where: bonds (distance) C4'-P energy: -134.348 bonds (distance) P-C4' energy: -130.478 flat angles C4'-P-C4' energy: -133.827 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -735.319670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.319670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.319670 (E_RNA) where: Base-Base interactions energy: -319.407 where: short stacking energy: -195.299 Base-Backbone interact. energy: 6.408 local terms energy: -422.320197 where: bonds (distance) C4'-P energy: -128.320 bonds (distance) P-C4' energy: -151.782 flat angles C4'-P-C4' energy: -103.256 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: 15.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2868.720006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.720006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.720006 (E_RNA) where: Base-Base interactions energy: -1930.856 where: short stacking energy: -851.177 Base-Backbone interact. energy: -4.912 local terms energy: -932.952911 where: bonds (distance) C4'-P energy: -173.431 bonds (distance) P-C4' energy: -192.926 flat angles C4'-P-C4' energy: -188.708 flat angles P-C4'-P energy: -119.330 tors. eta vs tors. theta energy: -258.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2687.042973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.042973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.042973 (E_RNA) where: Base-Base interactions energy: -1834.560 where: short stacking energy: -809.552 Base-Backbone interact. energy: 1.477 local terms energy: -853.960308 where: bonds (distance) C4'-P energy: -156.963 bonds (distance) P-C4' energy: -159.499 flat angles C4'-P-C4' energy: -183.406 flat angles P-C4'-P energy: -117.481 tors. eta vs tors. theta energy: -236.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2562.384857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.384857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.384857 (E_RNA) where: Base-Base interactions energy: -1761.039 where: short stacking energy: -773.052 Base-Backbone interact. energy: -4.262 local terms energy: -797.084295 where: bonds (distance) C4'-P energy: -145.790 bonds (distance) P-C4' energy: -160.166 flat angles C4'-P-C4' energy: -168.367 flat angles P-C4'-P energy: -98.276 tors. eta vs tors. theta energy: -224.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2372.404409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.404409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.404409 (E_RNA) where: Base-Base interactions energy: -1620.814 where: short stacking energy: -676.121 Base-Backbone interact. energy: -1.724 local terms energy: -749.866660 where: bonds (distance) C4'-P energy: -130.997 bonds (distance) P-C4' energy: -146.887 flat angles C4'-P-C4' energy: -179.797 flat angles P-C4'-P energy: -115.898 tors. eta vs tors. theta energy: -176.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2211.856915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.856915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.856915 (E_RNA) where: Base-Base interactions energy: -1469.304 where: short stacking energy: -641.513 Base-Backbone interact. energy: -0.767 local terms energy: -741.785100 where: bonds (distance) C4'-P energy: -150.942 bonds (distance) P-C4' energy: -166.346 flat angles C4'-P-C4' energy: -148.303 flat angles P-C4'-P energy: -96.076 tors. eta vs tors. theta energy: -180.118 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: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1772.046823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.046823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.046823 (E_RNA) where: Base-Base interactions energy: -1143.762 where: short stacking energy: -474.490 Base-Backbone interact. energy: -4.312 local terms energy: -623.972402 where: bonds (distance) C4'-P energy: -124.472 bonds (distance) P-C4' energy: -141.194 flat angles C4'-P-C4' energy: -158.596 flat angles P-C4'-P energy: -92.168 tors. eta vs tors. theta energy: -107.543 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: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1715.264906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.264906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.264906 (E_RNA) where: Base-Base interactions energy: -1094.724 where: short stacking energy: -473.698 Base-Backbone interact. energy: -0.552 local terms energy: -619.989349 where: bonds (distance) C4'-P energy: -150.411 bonds (distance) P-C4' energy: -122.732 flat angles C4'-P-C4' energy: -152.470 flat angles P-C4'-P energy: -94.006 tors. eta vs tors. theta energy: -100.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1165.439720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.439720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.439720 (E_RNA) where: Base-Base interactions energy: -637.661 where: short stacking energy: -317.362 Base-Backbone interact. energy: 5.041 local terms energy: -532.819886 where: bonds (distance) C4'-P energy: -147.675 bonds (distance) P-C4' energy: -145.826 flat angles C4'-P-C4' energy: -135.069 flat angles P-C4'-P energy: -83.065 tors. eta vs tors. theta energy: -21.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -873.916614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.916614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.916614 (E_RNA) where: Base-Base interactions energy: -418.737 where: short stacking energy: -235.092 Base-Backbone interact. energy: 1.864 local terms energy: -457.043445 where: bonds (distance) C4'-P energy: -131.916 bonds (distance) P-C4' energy: -152.394 flat angles C4'-P-C4' energy: -119.109 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: 8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -764.530730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.530730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.530730 (E_RNA) where: Base-Base interactions energy: -341.440 where: short stacking energy: -222.159 Base-Backbone interact. energy: -4.429 local terms energy: -418.661114 where: bonds (distance) C4'-P energy: -145.682 bonds (distance) P-C4' energy: -138.511 flat angles C4'-P-C4' energy: -98.495 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: 35.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2817.358350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.358350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.358350 (E_RNA) where: Base-Base interactions energy: -1890.987 where: short stacking energy: -828.496 Base-Backbone interact. energy: -8.288 local terms energy: -918.083458 where: bonds (distance) C4'-P energy: -171.117 bonds (distance) P-C4' energy: -174.695 flat angles C4'-P-C4' energy: -188.457 flat angles P-C4'-P energy: -117.914 tors. eta vs tors. theta energy: -265.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2668.660363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.660363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.660363 (E_RNA) where: Base-Base interactions energy: -1833.607 where: short stacking energy: -787.907 Base-Backbone interact. energy: -2.892 local terms energy: -832.160887 where: bonds (distance) C4'-P energy: -147.376 bonds (distance) P-C4' energy: -146.792 flat angles C4'-P-C4' energy: -178.123 flat angles P-C4'-P energy: -123.802 tors. eta vs tors. theta energy: -236.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2601.908946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.908946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.908946 (E_RNA) where: Base-Base interactions energy: -1783.205 where: short stacking energy: -738.031 Base-Backbone interact. energy: -2.862 local terms energy: -815.842246 where: bonds (distance) C4'-P energy: -148.673 bonds (distance) P-C4' energy: -159.428 flat angles C4'-P-C4' energy: -174.124 flat angles P-C4'-P energy: -107.130 tors. eta vs tors. theta energy: -226.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2370.867606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.867606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.867606 (E_RNA) where: Base-Base interactions energy: -1611.522 where: short stacking energy: -683.963 Base-Backbone interact. energy: -3.805 local terms energy: -755.540191 where: bonds (distance) C4'-P energy: -145.471 bonds (distance) P-C4' energy: -149.059 flat angles C4'-P-C4' energy: -157.965 flat angles P-C4'-P energy: -114.492 tors. eta vs tors. theta energy: -188.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2266.347625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.347625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.347625 (E_RNA) where: Base-Base interactions energy: -1513.357 where: short stacking energy: -648.320 Base-Backbone interact. energy: -2.208 local terms energy: -750.782639 where: bonds (distance) C4'-P energy: -149.931 bonds (distance) P-C4' energy: -149.190 flat angles C4'-P-C4' energy: -176.017 flat angles P-C4'-P energy: -93.056 tors. eta vs tors. theta energy: -182.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1863.298205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.298205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.298205 (E_RNA) where: Base-Base interactions energy: -1186.306 where: short stacking energy: -554.815 Base-Backbone interact. energy: 5.572 local terms energy: -682.564841 where: bonds (distance) C4'-P energy: -124.971 bonds (distance) P-C4' energy: -150.879 flat angles C4'-P-C4' energy: -163.845 flat angles P-C4'-P energy: -99.010 tors. eta vs tors. theta energy: -143.860 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: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1692.151764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.151764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.151764 (E_RNA) where: Base-Base interactions energy: -1082.078 where: short stacking energy: -506.885 Base-Backbone interact. energy: -5.577 local terms energy: -604.496404 where: bonds (distance) C4'-P energy: -134.850 bonds (distance) P-C4' energy: -140.682 flat angles C4'-P-C4' energy: -153.218 flat angles P-C4'-P energy: -71.088 tors. eta vs tors. theta energy: -104.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1166.615426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.615426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.615426 (E_RNA) where: Base-Base interactions energy: -643.943 where: short stacking energy: -312.565 Base-Backbone interact. energy: -0.226 local terms energy: -522.446111 where: bonds (distance) C4'-P energy: -137.014 bonds (distance) P-C4' energy: -138.123 flat angles C4'-P-C4' energy: -139.012 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -16.918 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: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -808.687899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.687899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.687899 (E_RNA) where: Base-Base interactions energy: -369.356 where: short stacking energy: -233.559 Base-Backbone interact. energy: -0.217 local terms energy: -439.115016 where: bonds (distance) C4'-P energy: -105.618 bonds (distance) P-C4' energy: -146.595 flat angles C4'-P-C4' energy: -134.360 flat angles P-C4'-P energy: -62.406 tors. eta vs tors. theta energy: 9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -851.529150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.529150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.529150 (E_RNA) where: Base-Base interactions energy: -402.042 where: short stacking energy: -250.948 Base-Backbone interact. energy: 6.512 local terms energy: -455.999182 where: bonds (distance) C4'-P energy: -117.214 bonds (distance) P-C4' energy: -136.119 flat angles C4'-P-C4' energy: -118.358 flat angles P-C4'-P energy: -81.172 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2851.892994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.892994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.892994 (E_RNA) where: Base-Base interactions energy: -1947.985 where: short stacking energy: -861.327 Base-Backbone interact. energy: -3.526 local terms energy: -900.381838 where: bonds (distance) C4'-P energy: -161.837 bonds (distance) P-C4' energy: -170.536 flat angles C4'-P-C4' energy: -184.464 flat angles P-C4'-P energy: -132.627 tors. eta vs tors. theta energy: -250.918 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: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2710.858783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.858783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.858783 (E_RNA) where: Base-Base interactions energy: -1850.257 where: short stacking energy: -802.936 Base-Backbone interact. energy: -6.767 local terms energy: -853.834823 where: bonds (distance) C4'-P energy: -157.938 bonds (distance) P-C4' energy: -161.288 flat angles C4'-P-C4' energy: -176.702 flat angles P-C4'-P energy: -124.160 tors. eta vs tors. theta energy: -233.747 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: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2602.371626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.371626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.371626 (E_RNA) where: Base-Base interactions energy: -1782.574 where: short stacking energy: -743.774 Base-Backbone interact. energy: -5.728 local terms energy: -814.069211 where: bonds (distance) C4'-P energy: -138.632 bonds (distance) P-C4' energy: -148.658 flat angles C4'-P-C4' energy: -184.777 flat angles P-C4'-P energy: -127.639 tors. eta vs tors. theta energy: -214.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2406.920537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.920537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.920537 (E_RNA) where: Base-Base interactions energy: -1635.737 where: short stacking energy: -726.739 Base-Backbone interact. energy: 1.748 local terms energy: -772.930782 where: bonds (distance) C4'-P energy: -146.557 bonds (distance) P-C4' energy: -146.856 flat angles C4'-P-C4' energy: -173.598 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -195.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2271.870590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.870590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.870590 (E_RNA) where: Base-Base interactions energy: -1540.341 where: short stacking energy: -660.138 Base-Backbone interact. energy: -3.507 local terms energy: -728.023439 where: bonds (distance) C4'-P energy: -136.978 bonds (distance) P-C4' energy: -155.178 flat angles C4'-P-C4' energy: -157.153 flat angles P-C4'-P energy: -100.159 tors. eta vs tors. theta energy: -178.555 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: 121 Temperature: 1.150000 Total energy: -1877.833389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.833389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.833389 (E_RNA) where: Base-Base interactions energy: -1200.020 where: short stacking energy: -528.811 Base-Backbone interact. energy: -2.592 local terms energy: -675.221085 where: bonds (distance) C4'-P energy: -143.442 bonds (distance) P-C4' energy: -151.461 flat angles C4'-P-C4' energy: -152.912 flat angles P-C4'-P energy: -91.837 tors. eta vs tors. theta energy: -135.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1676.685743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.685743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.685743 (E_RNA) where: Base-Base interactions energy: -1084.904 where: short stacking energy: -459.812 Base-Backbone interact. energy: -4.523 local terms energy: -587.258010 where: bonds (distance) C4'-P energy: -135.671 bonds (distance) P-C4' energy: -117.386 flat angles C4'-P-C4' energy: -131.052 flat angles P-C4'-P energy: -92.745 tors. eta vs tors. theta energy: -110.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1166.805312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.805312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.805312 (E_RNA) where: Base-Base interactions energy: -652.516 where: short stacking energy: -336.640 Base-Backbone interact. energy: -2.022 local terms energy: -512.267242 where: bonds (distance) C4'-P energy: -129.204 bonds (distance) P-C4' energy: -147.884 flat angles C4'-P-C4' energy: -119.196 flat angles P-C4'-P energy: -76.263 tors. eta vs tors. theta energy: -39.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -801.786830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.786830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.786830 (E_RNA) where: Base-Base interactions energy: -361.049 where: short stacking energy: -211.648 Base-Backbone interact. energy: 3.719 local terms energy: -444.457542 where: bonds (distance) C4'-P energy: -125.309 bonds (distance) P-C4' energy: -140.749 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -71.977 tors. eta vs tors. theta energy: 5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -859.063264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.063264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.063264 (E_RNA) where: Base-Base interactions energy: -384.813 where: short stacking energy: -239.076 Base-Backbone interact. energy: -1.099 local terms energy: -473.151792 where: bonds (distance) C4'-P energy: -126.867 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -145.941 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: 3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2871.901755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.901755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.901755 (E_RNA) where: Base-Base interactions energy: -1949.709 where: short stacking energy: -829.795 Base-Backbone interact. energy: -5.522 local terms energy: -916.670775 where: bonds (distance) C4'-P energy: -176.887 bonds (distance) P-C4' energy: -159.012 flat angles C4'-P-C4' energy: -191.757 flat angles P-C4'-P energy: -131.738 tors. eta vs tors. theta energy: -257.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2727.398880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.398880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.398880 (E_RNA) where: Base-Base interactions energy: -1867.546 where: short stacking energy: -809.536 Base-Backbone interact. energy: -1.927 local terms energy: -857.926275 where: bonds (distance) C4'-P energy: -150.320 bonds (distance) P-C4' energy: -168.571 flat angles C4'-P-C4' energy: -179.542 flat angles P-C4'-P energy: -116.170 tors. eta vs tors. theta energy: -243.324 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: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2605.430166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.430166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.430166 (E_RNA) where: Base-Base interactions energy: -1817.839 where: short stacking energy: -739.085 Base-Backbone interact. energy: -1.344 local terms energy: -786.247127 where: bonds (distance) C4'-P energy: -148.310 bonds (distance) P-C4' energy: -149.224 flat angles C4'-P-C4' energy: -156.571 flat angles P-C4'-P energy: -108.574 tors. eta vs tors. theta energy: -223.567 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2383.949793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.949793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.949793 (E_RNA) where: Base-Base interactions energy: -1613.197 where: short stacking energy: -704.924 Base-Backbone interact. energy: 0.199 local terms energy: -770.951428 where: bonds (distance) C4'-P energy: -142.696 bonds (distance) P-C4' energy: -154.078 flat angles C4'-P-C4' energy: -167.682 flat angles P-C4'-P energy: -115.345 tors. eta vs tors. theta energy: -191.150 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: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2335.579919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.579919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.579919 (E_RNA) where: Base-Base interactions energy: -1588.708 where: short stacking energy: -699.357 Base-Backbone interact. energy: 5.725 local terms energy: -752.596843 where: bonds (distance) C4'-P energy: -150.508 bonds (distance) P-C4' energy: -156.303 flat angles C4'-P-C4' energy: -169.361 flat angles P-C4'-P energy: -97.216 tors. eta vs tors. theta energy: -179.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1847.365873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.365873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.365873 (E_RNA) where: Base-Base interactions energy: -1201.993 where: short stacking energy: -552.810 Base-Backbone interact. energy: -4.916 local terms energy: -640.457013 where: bonds (distance) C4'-P energy: -130.921 bonds (distance) P-C4' energy: -131.060 flat angles C4'-P-C4' energy: -147.081 flat angles P-C4'-P energy: -89.660 tors. eta vs tors. theta energy: -141.735 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: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1747.153397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.153397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.153397 (E_RNA) where: Base-Base interactions energy: -1107.971 where: short stacking energy: -490.727 Base-Backbone interact. energy: 5.818 local terms energy: -645.001145 where: bonds (distance) C4'-P energy: -147.595 bonds (distance) P-C4' energy: -147.088 flat angles C4'-P-C4' energy: -144.178 flat angles P-C4'-P energy: -89.510 tors. eta vs tors. theta energy: -116.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1190.352872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.352872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.352872 (E_RNA) where: Base-Base interactions energy: -683.783 where: short stacking energy: -326.633 Base-Backbone interact. energy: -4.384 local terms energy: -502.186444 where: bonds (distance) C4'-P energy: -138.502 bonds (distance) P-C4' energy: -142.707 flat angles C4'-P-C4' energy: -107.592 flat angles P-C4'-P energy: -84.879 tors. eta vs tors. theta energy: -28.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -872.111730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.111730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.111730 (E_RNA) where: Base-Base interactions energy: -425.590 where: short stacking energy: -254.581 Base-Backbone interact. energy: 1.748 local terms energy: -448.269744 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -122.469 flat angles C4'-P-C4' energy: -108.557 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: 6.914 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: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -802.190554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.190554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.190554 (E_RNA) where: Base-Base interactions energy: -385.443 where: short stacking energy: -229.583 Base-Backbone interact. energy: 11.172 local terms energy: -427.919015 where: bonds (distance) C4'-P energy: -118.964 bonds (distance) P-C4' energy: -162.505 flat angles C4'-P-C4' energy: -108.912 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: 9.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2879.432207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.432207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.432207 (E_RNA) where: Base-Base interactions energy: -1955.639 where: short stacking energy: -847.526 Base-Backbone interact. energy: -3.010 local terms energy: -920.783667 where: bonds (distance) C4'-P energy: -152.514 bonds (distance) P-C4' energy: -174.890 flat angles C4'-P-C4' energy: -199.279 flat angles P-C4'-P energy: -125.057 tors. eta vs tors. theta energy: -269.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2678.789857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.789857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.789857 (E_RNA) where: Base-Base interactions energy: -1826.271 where: short stacking energy: -793.396 Base-Backbone interact. energy: -4.121 local terms energy: -848.397525 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -162.762 flat angles C4'-P-C4' energy: -185.415 flat angles P-C4'-P energy: -115.157 tors. eta vs tors. theta energy: -235.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2589.104761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.104761 (E_RNA) where: Base-Base interactions energy: -1785.935 where: short stacking energy: -734.067 Base-Backbone interact. energy: -4.219 local terms energy: -798.950775 where: bonds (distance) C4'-P energy: -133.361 bonds (distance) P-C4' energy: -162.478 flat angles C4'-P-C4' energy: -176.823 flat angles P-C4'-P energy: -122.417 tors. eta vs tors. theta energy: -203.872 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: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2386.035892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.035892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.035892 (E_RNA) where: Base-Base interactions energy: -1612.322 where: short stacking energy: -718.053 Base-Backbone interact. energy: -0.565 local terms energy: -773.148880 where: bonds (distance) C4'-P energy: -153.878 bonds (distance) P-C4' energy: -134.632 flat angles C4'-P-C4' energy: -170.508 flat angles P-C4'-P energy: -117.446 tors. eta vs tors. theta energy: -196.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2241.814505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.814505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.814505 (E_RNA) where: Base-Base interactions energy: -1541.576 where: short stacking energy: -645.134 Base-Backbone interact. energy: -3.429 local terms energy: -696.809810 where: bonds (distance) C4'-P energy: -129.061 bonds (distance) P-C4' energy: -139.941 flat angles C4'-P-C4' energy: -164.115 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -170.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1830.194743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.194743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.194743 (E_RNA) where: Base-Base interactions energy: -1159.432 where: short stacking energy: -547.466 Base-Backbone interact. energy: 2.258 local terms energy: -673.020253 where: bonds (distance) C4'-P energy: -132.024 bonds (distance) P-C4' energy: -151.969 flat angles C4'-P-C4' energy: -165.355 flat angles P-C4'-P energy: -93.977 tors. eta vs tors. theta energy: -129.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1711.988697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.988697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.988697 (E_RNA) where: Base-Base interactions energy: -1074.372 where: short stacking energy: -505.612 Base-Backbone interact. energy: -4.109 local terms energy: -633.507848 where: bonds (distance) C4'-P energy: -156.124 bonds (distance) P-C4' energy: -137.726 flat angles C4'-P-C4' energy: -138.160 flat angles P-C4'-P energy: -94.158 tors. eta vs tors. theta energy: -107.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1208.035910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.035910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.035910 (E_RNA) where: Base-Base interactions energy: -705.948 where: short stacking energy: -359.656 Base-Backbone interact. energy: -0.933 local terms energy: -501.154778 where: bonds (distance) C4'-P energy: -117.280 bonds (distance) P-C4' energy: -125.885 flat angles C4'-P-C4' energy: -131.911 flat angles P-C4'-P energy: -76.130 tors. eta vs tors. theta energy: -49.949 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: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -829.941952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.941952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.941952 (E_RNA) where: Base-Base interactions energy: -441.347 where: short stacking energy: -252.570 Base-Backbone interact. energy: -1.093 local terms energy: -387.501415 where: bonds (distance) C4'-P energy: -107.841 bonds (distance) P-C4' energy: -139.231 flat angles C4'-P-C4' energy: -91.771 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: 13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -871.741953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.741953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.741953 (E_RNA) where: Base-Base interactions energy: -463.946 where: short stacking energy: -245.112 Base-Backbone interact. energy: 2.376 local terms energy: -410.171658 where: bonds (distance) C4'-P energy: -129.809 bonds (distance) P-C4' energy: -122.101 flat angles C4'-P-C4' energy: -106.913 flat angles P-C4'-P energy: -64.389 tors. eta vs tors. theta energy: 13.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2847.685555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.685555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.685555 (E_RNA) where: Base-Base interactions energy: -1947.213 where: short stacking energy: -869.551 Base-Backbone interact. energy: -5.575 local terms energy: -894.897736 where: bonds (distance) C4'-P energy: -159.805 bonds (distance) P-C4' energy: -162.036 flat angles C4'-P-C4' energy: -195.135 flat angles P-C4'-P energy: -113.679 tors. eta vs tors. theta energy: -264.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2708.268650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.268650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.268650 (E_RNA) where: Base-Base interactions energy: -1819.431 where: short stacking energy: -783.296 Base-Backbone interact. energy: -3.018 local terms energy: -885.820246 where: bonds (distance) C4'-P energy: -162.075 bonds (distance) P-C4' energy: -171.868 flat angles C4'-P-C4' energy: -188.186 flat angles P-C4'-P energy: -127.478 tors. eta vs tors. theta energy: -236.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2555.013381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.013381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.013381 (E_RNA) where: Base-Base interactions energy: -1739.569 where: short stacking energy: -723.051 Base-Backbone interact. energy: -2.018 local terms energy: -813.426703 where: bonds (distance) C4'-P energy: -152.441 bonds (distance) P-C4' energy: -166.374 flat angles C4'-P-C4' energy: -188.504 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -198.133 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: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2371.265607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.265607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.265607 (E_RNA) where: Base-Base interactions energy: -1598.023 where: short stacking energy: -687.557 Base-Backbone interact. energy: 1.118 local terms energy: -774.360158 where: bonds (distance) C4'-P energy: -153.828 bonds (distance) P-C4' energy: -162.108 flat angles C4'-P-C4' energy: -170.589 flat angles P-C4'-P energy: -117.721 tors. eta vs tors. theta energy: -170.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2225.900600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.900600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.900600 (E_RNA) where: Base-Base interactions energy: -1482.793 where: short stacking energy: -632.649 Base-Backbone interact. energy: -0.637 local terms energy: -742.470957 where: bonds (distance) C4'-P energy: -138.729 bonds (distance) P-C4' energy: -156.251 flat angles C4'-P-C4' energy: -179.219 flat angles P-C4'-P energy: -92.477 tors. eta vs tors. theta energy: -175.795 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: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1958.998690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.998690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.998690 (E_RNA) where: Base-Base interactions energy: -1269.604 where: short stacking energy: -585.823 Base-Backbone interact. energy: -2.060 local terms energy: -687.334299 where: bonds (distance) C4'-P energy: -137.764 bonds (distance) P-C4' energy: -149.871 flat angles C4'-P-C4' energy: -161.132 flat angles P-C4'-P energy: -94.652 tors. eta vs tors. theta energy: -143.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1749.674550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.674550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.674550 (E_RNA) where: Base-Base interactions energy: -1135.067 where: short stacking energy: -527.720 Base-Backbone interact. energy: -4.280 local terms energy: -610.327332 where: bonds (distance) C4'-P energy: -122.536 bonds (distance) P-C4' energy: -136.158 flat angles C4'-P-C4' energy: -138.279 flat angles P-C4'-P energy: -101.836 tors. eta vs tors. theta energy: -111.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1223.894407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.894407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.894407 (E_RNA) where: Base-Base interactions energy: -724.844 where: short stacking energy: -358.632 Base-Backbone interact. energy: 0.087 local terms energy: -499.137250 where: bonds (distance) C4'-P energy: -128.963 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -70.866 tors. eta vs tors. theta energy: -30.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -892.596849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.596849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.596849 (E_RNA) where: Base-Base interactions energy: -428.799 where: short stacking energy: -259.113 Base-Backbone interact. energy: 4.215 local terms energy: -468.013395 where: bonds (distance) C4'-P energy: -119.473 bonds (distance) P-C4' energy: -166.592 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -60.528 tors. eta vs tors. theta energy: 2.418 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: 124 Temperature: 1.350000 Total energy: -804.463448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.463448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.463448 (E_RNA) where: Base-Base interactions energy: -386.587 where: short stacking energy: -192.604 Base-Backbone interact. energy: -2.232 local terms energy: -415.643808 where: bonds (distance) C4'-P energy: -115.558 bonds (distance) P-C4' energy: -158.039 flat angles C4'-P-C4' energy: -98.571 flat angles P-C4'-P energy: -60.619 tors. eta vs tors. theta energy: 17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2841.385326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.385326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.385326 (E_RNA) where: Base-Base interactions energy: -1942.101 where: short stacking energy: -841.140 Base-Backbone interact. energy: -5.709 local terms energy: -893.575741 where: bonds (distance) C4'-P energy: -169.150 bonds (distance) P-C4' energy: -161.380 flat angles C4'-P-C4' energy: -179.950 flat angles P-C4'-P energy: -123.901 tors. eta vs tors. theta energy: -259.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2723.316937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.316937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.316937 (E_RNA) where: Base-Base interactions energy: -1882.241 where: short stacking energy: -810.611 Base-Backbone interact. energy: -0.832 local terms energy: -840.243924 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -180.453 flat angles P-C4'-P energy: -109.583 tors. eta vs tors. theta energy: -246.065 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: 125 Temperature: 1.000000 Total energy: -2568.108057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.108057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.108057 (E_RNA) where: Base-Base interactions energy: -1773.682 where: short stacking energy: -746.415 Base-Backbone interact. energy: -6.488 local terms energy: -787.937469 where: bonds (distance) C4'-P energy: -146.612 bonds (distance) P-C4' energy: -148.608 flat angles C4'-P-C4' energy: -176.897 flat angles P-C4'-P energy: -117.181 tors. eta vs tors. theta energy: -198.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2371.003597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.003597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.003597 (E_RNA) where: Base-Base interactions energy: -1587.769 where: short stacking energy: -685.479 Base-Backbone interact. energy: -4.346 local terms energy: -778.888216 where: bonds (distance) C4'-P energy: -157.327 bonds (distance) P-C4' energy: -134.774 flat angles C4'-P-C4' energy: -177.014 flat angles P-C4'-P energy: -131.016 tors. eta vs tors. theta energy: -178.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2218.451339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.451339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.451339 (E_RNA) where: Base-Base interactions energy: -1473.529 where: short stacking energy: -631.931 Base-Backbone interact. energy: -3.931 local terms energy: -740.990670 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -154.125 flat angles C4'-P-C4' energy: -161.304 flat angles P-C4'-P energy: -102.004 tors. eta vs tors. theta energy: -182.715 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1903.908489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.908489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.908489 (E_RNA) where: Base-Base interactions energy: -1273.247 where: short stacking energy: -556.238 Base-Backbone interact. energy: -3.276 local terms energy: -627.384974 where: bonds (distance) C4'-P energy: -143.802 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -159.159 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -130.564 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: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1716.150311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.150311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.150311 (E_RNA) where: Base-Base interactions energy: -1109.778 where: short stacking energy: -495.002 Base-Backbone interact. energy: 2.839 local terms energy: -609.211707 where: bonds (distance) C4'-P energy: -119.056 bonds (distance) P-C4' energy: -138.911 flat angles C4'-P-C4' energy: -150.704 flat angles P-C4'-P energy: -101.222 tors. eta vs tors. theta energy: -99.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1184.920831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.920831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.920831 (E_RNA) where: Base-Base interactions energy: -647.851 where: short stacking energy: -317.203 Base-Backbone interact. energy: -4.041 local terms energy: -533.028585 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -153.848 flat angles C4'-P-C4' energy: -126.089 flat angles P-C4'-P energy: -87.059 tors. eta vs tors. theta energy: -25.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -945.104023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.104023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.104023 (E_RNA) where: Base-Base interactions energy: -467.465 where: short stacking energy: -264.587 Base-Backbone interact. energy: 0.279 local terms energy: -477.917908 where: bonds (distance) C4'-P energy: -120.911 bonds (distance) P-C4' energy: -150.709 flat angles C4'-P-C4' energy: -127.567 flat angles P-C4'-P energy: -58.180 tors. eta vs tors. theta energy: -20.551 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: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -758.748604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.748604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.748604 (E_RNA) where: Base-Base interactions energy: -319.593 where: short stacking energy: -200.687 Base-Backbone interact. energy: 5.765 local terms energy: -444.919959 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -167.032 flat angles C4'-P-C4' energy: -107.480 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: 26.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2846.253629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.253629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.253629 (E_RNA) where: Base-Base interactions energy: -1955.029 where: short stacking energy: -849.322 Base-Backbone interact. energy: -3.145 local terms energy: -888.079161 where: bonds (distance) C4'-P energy: -161.509 bonds (distance) P-C4' energy: -145.214 flat angles C4'-P-C4' energy: -199.787 flat angles P-C4'-P energy: -127.813 tors. eta vs tors. theta energy: -253.756 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: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2746.676455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.676455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.676455 (E_RNA) where: Base-Base interactions energy: -1859.725 where: short stacking energy: -794.881 Base-Backbone interact. energy: -2.546 local terms energy: -884.406403 where: bonds (distance) C4'-P energy: -167.669 bonds (distance) P-C4' energy: -165.358 flat angles C4'-P-C4' energy: -185.881 flat angles P-C4'-P energy: -117.100 tors. eta vs tors. theta energy: -248.398 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: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2539.302798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.302798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.302798 (E_RNA) where: Base-Base interactions energy: -1705.692 where: short stacking energy: -737.499 Base-Backbone interact. energy: -2.164 local terms energy: -831.447124 where: bonds (distance) C4'-P energy: -163.600 bonds (distance) P-C4' energy: -161.937 flat angles C4'-P-C4' energy: -174.964 flat angles P-C4'-P energy: -123.488 tors. eta vs tors. theta energy: -207.459 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: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2399.078109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.078109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.078109 (E_RNA) where: Base-Base interactions energy: -1627.313 where: short stacking energy: -724.211 Base-Backbone interact. energy: 0.107 local terms energy: -771.871740 where: bonds (distance) C4'-P energy: -147.354 bonds (distance) P-C4' energy: -144.246 flat angles C4'-P-C4' energy: -169.042 flat angles P-C4'-P energy: -117.906 tors. eta vs tors. theta energy: -193.324 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: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2249.943946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.943946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.943946 (E_RNA) where: Base-Base interactions energy: -1524.510 where: short stacking energy: -652.847 Base-Backbone interact. energy: -3.433 local terms energy: -722.000759 where: bonds (distance) C4'-P energy: -138.691 bonds (distance) P-C4' energy: -142.641 flat angles C4'-P-C4' energy: -161.686 flat angles P-C4'-P energy: -95.220 tors. eta vs tors. theta energy: -183.763 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: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1855.124845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.124845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.124845 (E_RNA) where: Base-Base interactions energy: -1150.241 where: short stacking energy: -563.140 Base-Backbone interact. energy: -2.002 local terms energy: -702.881323 where: bonds (distance) C4'-P energy: -138.792 bonds (distance) P-C4' energy: -161.114 flat angles C4'-P-C4' energy: -143.186 flat angles P-C4'-P energy: -120.946 tors. eta vs tors. theta energy: -138.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1733.705017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.705017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.705017 (E_RNA) where: Base-Base interactions energy: -1113.327 where: short stacking energy: -479.454 Base-Backbone interact. energy: -2.875 local terms energy: -617.502419 where: bonds (distance) C4'-P energy: -118.988 bonds (distance) P-C4' energy: -143.113 flat angles C4'-P-C4' energy: -153.862 flat angles P-C4'-P energy: -88.273 tors. eta vs tors. theta energy: -113.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1195.319491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.319491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.319491 (E_RNA) where: Base-Base interactions energy: -679.628 where: short stacking energy: -323.629 Base-Backbone interact. energy: 3.969 local terms energy: -519.661116 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -150.914 flat angles C4'-P-C4' energy: -129.802 flat angles P-C4'-P energy: -75.400 tors. eta vs tors. theta energy: -38.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -919.279729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.279729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.279729 (E_RNA) where: Base-Base interactions energy: -415.619 where: short stacking energy: -248.727 Base-Backbone interact. energy: -2.533 local terms energy: -501.128311 where: bonds (distance) C4'-P energy: -134.920 bonds (distance) P-C4' energy: -149.089 flat angles C4'-P-C4' energy: -146.475 flat angles P-C4'-P energy: -79.896 tors. eta vs tors. theta energy: 9.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -760.401858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.401858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.401858 (E_RNA) where: Base-Base interactions energy: -332.568 where: short stacking energy: -179.867 Base-Backbone interact. energy: 1.341 local terms energy: -429.175205 where: bonds (distance) C4'-P energy: -122.183 bonds (distance) P-C4' energy: -115.886 flat angles C4'-P-C4' energy: -129.289 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: 25.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2862.774469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.774469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.774469 (E_RNA) where: Base-Base interactions energy: -1964.906 where: short stacking energy: -866.547 Base-Backbone interact. energy: -2.541 local terms energy: -895.327075 where: bonds (distance) C4'-P energy: -157.869 bonds (distance) P-C4' energy: -180.952 flat angles C4'-P-C4' energy: -206.489 flat angles P-C4'-P energy: -100.885 tors. eta vs tors. theta energy: -249.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2725.559420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.559420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.559420 (E_RNA) where: Base-Base interactions energy: -1844.893 where: short stacking energy: -778.374 Base-Backbone interact. energy: -1.927 local terms energy: -878.739155 where: bonds (distance) C4'-P energy: -161.132 bonds (distance) P-C4' energy: -156.463 flat angles C4'-P-C4' energy: -174.602 flat angles P-C4'-P energy: -139.650 tors. eta vs tors. theta energy: -246.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2527.323226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.323226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.323226 (E_RNA) where: Base-Base interactions energy: -1730.468 where: short stacking energy: -730.412 Base-Backbone interact. energy: -6.645 local terms energy: -790.210101 where: bonds (distance) C4'-P energy: -135.271 bonds (distance) P-C4' energy: -154.425 flat angles C4'-P-C4' energy: -189.378 flat angles P-C4'-P energy: -99.991 tors. eta vs tors. theta energy: -211.145 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: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2361.815358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.815358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.815358 (E_RNA) where: Base-Base interactions energy: -1597.568 where: short stacking energy: -716.326 Base-Backbone interact. energy: 2.347 local terms energy: -766.595192 where: bonds (distance) C4'-P energy: -150.334 bonds (distance) P-C4' energy: -160.584 flat angles C4'-P-C4' energy: -174.490 flat angles P-C4'-P energy: -96.614 tors. eta vs tors. theta energy: -184.573 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: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2207.746118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.746118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.746118 (E_RNA) where: Base-Base interactions energy: -1474.863 where: short stacking energy: -640.479 Base-Backbone interact. energy: -1.603 local terms energy: -731.280407 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -158.635 flat angles C4'-P-C4' energy: -166.004 flat angles P-C4'-P energy: -98.336 tors. eta vs tors. theta energy: -187.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1885.472348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.472348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.472348 (E_RNA) where: Base-Base interactions energy: -1186.775 where: short stacking energy: -521.859 Base-Backbone interact. energy: -1.841 local terms energy: -696.855976 where: bonds (distance) C4'-P energy: -168.161 bonds (distance) P-C4' energy: -147.421 flat angles C4'-P-C4' energy: -147.843 flat angles P-C4'-P energy: -99.190 tors. eta vs tors. theta energy: -134.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1725.348547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.348547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.348547 (E_RNA) where: Base-Base interactions energy: -1115.141 where: short stacking energy: -508.362 Base-Backbone interact. energy: 3.280 local terms energy: -613.487899 where: bonds (distance) C4'-P energy: -131.247 bonds (distance) P-C4' energy: -129.790 flat angles C4'-P-C4' energy: -138.796 flat angles P-C4'-P energy: -116.637 tors. eta vs tors. theta energy: -97.018 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: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1250.476115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.476115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.476115 (E_RNA) where: Base-Base interactions energy: -733.186 where: short stacking energy: -348.802 Base-Backbone interact. energy: 6.547 local terms energy: -523.837472 where: bonds (distance) C4'-P energy: -135.548 bonds (distance) P-C4' energy: -139.322 flat angles C4'-P-C4' energy: -115.765 flat angles P-C4'-P energy: -92.791 tors. eta vs tors. theta energy: -40.412 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: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -887.953511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.953511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.953511 (E_RNA) where: Base-Base interactions energy: -424.485 where: short stacking energy: -247.822 Base-Backbone interact. energy: 3.412 local terms energy: -466.880390 where: bonds (distance) C4'-P energy: -131.263 bonds (distance) P-C4' energy: -157.672 flat angles C4'-P-C4' energy: -120.663 flat angles P-C4'-P energy: -65.270 tors. eta vs tors. theta energy: 7.988 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: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -820.431558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.431558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.431558 (E_RNA) where: Base-Base interactions energy: -386.939 where: short stacking energy: -238.366 Base-Backbone interact. energy: 4.971 local terms energy: -438.464100 where: bonds (distance) C4'-P energy: -138.307 bonds (distance) P-C4' energy: -141.032 flat angles C4'-P-C4' energy: -101.908 flat angles P-C4'-P energy: -73.193 tors. eta vs tors. theta energy: 15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2844.341894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.341894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.341894 (E_RNA) where: Base-Base interactions energy: -1950.936 where: short stacking energy: -852.641 Base-Backbone interact. energy: 1.358 local terms energy: -894.763659 where: bonds (distance) C4'-P energy: -155.242 bonds (distance) P-C4' energy: -166.582 flat angles C4'-P-C4' energy: -186.788 flat angles P-C4'-P energy: -130.812 tors. eta vs tors. theta energy: -255.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2665.852583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.852583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.852583 (E_RNA) where: Base-Base interactions energy: -1794.156 where: short stacking energy: -802.019 Base-Backbone interact. energy: -1.393 local terms energy: -870.303063 where: bonds (distance) C4'-P energy: -158.429 bonds (distance) P-C4' energy: -159.599 flat angles C4'-P-C4' energy: -185.148 flat angles P-C4'-P energy: -126.063 tors. eta vs tors. theta energy: -241.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2535.544575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.544575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.544575 (E_RNA) where: Base-Base interactions energy: -1732.822 where: short stacking energy: -728.065 Base-Backbone interact. energy: 4.566 local terms energy: -807.288505 where: bonds (distance) C4'-P energy: -152.003 bonds (distance) P-C4' energy: -156.078 flat angles C4'-P-C4' energy: -173.983 flat angles P-C4'-P energy: -115.618 tors. eta vs tors. theta energy: -209.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2336.115300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.115300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.115300 (E_RNA) where: Base-Base interactions energy: -1557.767 where: short stacking energy: -651.406 Base-Backbone interact. energy: -0.727 local terms energy: -777.621172 where: bonds (distance) C4'-P energy: -167.979 bonds (distance) P-C4' energy: -145.331 flat angles C4'-P-C4' energy: -167.301 flat angles P-C4'-P energy: -122.613 tors. eta vs tors. theta energy: -174.396 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: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2119.107464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.107464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.107464 (E_RNA) where: Base-Base interactions energy: -1392.864 where: short stacking energy: -608.212 Base-Backbone interact. energy: -4.147 local terms energy: -722.096034 where: bonds (distance) C4'-P energy: -149.749 bonds (distance) P-C4' energy: -156.873 flat angles C4'-P-C4' energy: -148.766 flat angles P-C4'-P energy: -105.878 tors. eta vs tors. theta energy: -160.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1821.975922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.975922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.975922 (E_RNA) where: Base-Base interactions energy: -1186.091 where: short stacking energy: -512.055 Base-Backbone interact. energy: -2.545 local terms energy: -633.340171 where: bonds (distance) C4'-P energy: -120.307 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -142.827 flat angles P-C4'-P energy: -98.984 tors. eta vs tors. theta energy: -126.824 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: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1673.993703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.993703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.993703 (E_RNA) where: Base-Base interactions energy: -1056.404 where: short stacking energy: -466.151 Base-Backbone interact. energy: -0.785 local terms energy: -616.804549 where: bonds (distance) C4'-P energy: -155.575 bonds (distance) P-C4' energy: -137.434 flat angles C4'-P-C4' energy: -142.043 flat angles P-C4'-P energy: -93.891 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: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1223.147253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.147253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.147253 (E_RNA) where: Base-Base interactions energy: -692.138 where: short stacking energy: -346.664 Base-Backbone interact. energy: 0.461 local terms energy: -531.470578 where: bonds (distance) C4'-P energy: -138.121 bonds (distance) P-C4' energy: -157.709 flat angles C4'-P-C4' energy: -123.291 flat angles P-C4'-P energy: -72.469 tors. eta vs tors. theta energy: -39.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -869.270453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.270453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.270453 (E_RNA) where: Base-Base interactions energy: -428.750 where: short stacking energy: -258.555 Base-Backbone interact. energy: 1.707 local terms energy: -442.227120 where: bonds (distance) C4'-P energy: -109.651 bonds (distance) P-C4' energy: -140.201 flat angles C4'-P-C4' energy: -107.910 flat angles P-C4'-P energy: -74.177 tors. eta vs tors. theta energy: -10.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -853.501547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.501547 (E_RNA) where: Base-Base interactions energy: -416.911 where: short stacking energy: -252.149 Base-Backbone interact. energy: 0.525 local terms energy: -437.115785 where: bonds (distance) C4'-P energy: -127.961 bonds (distance) P-C4' energy: -131.988 flat angles C4'-P-C4' energy: -121.410 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -11.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2842.977523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.977523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.977523 (E_RNA) where: Base-Base interactions energy: -1944.015 where: short stacking energy: -841.376 Base-Backbone interact. energy: -6.422 local terms energy: -892.539743 where: bonds (distance) C4'-P energy: -158.502 bonds (distance) P-C4' energy: -170.414 flat angles C4'-P-C4' energy: -182.296 flat angles P-C4'-P energy: -132.804 tors. eta vs tors. theta energy: -248.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2645.217599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.217599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.217599 (E_RNA) where: Base-Base interactions energy: -1776.120 where: short stacking energy: -784.788 Base-Backbone interact. energy: -0.222 local terms energy: -868.875677 where: bonds (distance) C4'-P energy: -157.702 bonds (distance) P-C4' energy: -163.035 flat angles C4'-P-C4' energy: -187.786 flat angles P-C4'-P energy: -120.023 tors. eta vs tors. theta energy: -240.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2544.922775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.922775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.922775 (E_RNA) where: Base-Base interactions energy: -1718.230 where: short stacking energy: -728.720 Base-Backbone interact. energy: -6.677 local terms energy: -820.016378 where: bonds (distance) C4'-P energy: -153.931 bonds (distance) P-C4' energy: -169.882 flat angles C4'-P-C4' energy: -171.117 flat angles P-C4'-P energy: -108.857 tors. eta vs tors. theta energy: -216.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2320.638480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.638480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.638480 (E_RNA) where: Base-Base interactions energy: -1528.912 where: short stacking energy: -691.847 Base-Backbone interact. energy: -4.679 local terms energy: -787.048016 where: bonds (distance) C4'-P energy: -153.208 bonds (distance) P-C4' energy: -166.549 flat angles C4'-P-C4' energy: -177.953 flat angles P-C4'-P energy: -100.185 tors. eta vs tors. theta energy: -189.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2148.718599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.718599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.718599 (E_RNA) where: Base-Base interactions energy: -1407.042 where: short stacking energy: -617.568 Base-Backbone interact. energy: -0.864 local terms energy: -740.812159 where: bonds (distance) C4'-P energy: -141.069 bonds (distance) P-C4' energy: -158.055 flat angles C4'-P-C4' energy: -183.415 flat angles P-C4'-P energy: -94.220 tors. eta vs tors. theta energy: -164.054 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: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1803.242619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.242619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.242619 (E_RNA) where: Base-Base interactions energy: -1151.458 where: short stacking energy: -510.126 Base-Backbone interact. energy: 3.525 local terms energy: -655.309923 where: bonds (distance) C4'-P energy: -135.272 bonds (distance) P-C4' energy: -136.307 flat angles C4'-P-C4' energy: -163.582 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -129.393 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: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1691.783781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.783781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.783781 (E_RNA) where: Base-Base interactions energy: -1061.913 where: short stacking energy: -476.974 Base-Backbone interact. energy: -2.479 local terms energy: -627.391252 where: bonds (distance) C4'-P energy: -130.839 bonds (distance) P-C4' energy: -144.100 flat angles C4'-P-C4' energy: -139.771 flat angles P-C4'-P energy: -103.090 tors. eta vs tors. theta energy: -109.591 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: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1251.784737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.784737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.784737 (E_RNA) where: Base-Base interactions energy: -752.124 where: short stacking energy: -348.389 Base-Backbone interact. energy: 7.154 local terms energy: -506.813878 where: bonds (distance) C4'-P energy: -114.003 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -132.323 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -47.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -888.956351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.956351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.956351 (E_RNA) where: Base-Base interactions energy: -449.627 where: short stacking energy: -236.575 Base-Backbone interact. energy: -2.843 local terms energy: -436.487147 where: bonds (distance) C4'-P energy: -126.226 bonds (distance) P-C4' energy: -158.299 flat angles C4'-P-C4' energy: -113.289 flat angles P-C4'-P energy: -67.282 tors. eta vs tors. theta energy: 28.608 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: 129 Temperature: 1.350000 Total energy: -831.398954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.398954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.398954 (E_RNA) where: Base-Base interactions energy: -411.767 where: short stacking energy: -227.549 Base-Backbone interact. energy: -0.712 local terms energy: -418.919741 where: bonds (distance) C4'-P energy: -133.185 bonds (distance) P-C4' energy: -143.962 flat angles C4'-P-C4' energy: -105.368 flat angles P-C4'-P energy: -58.008 tors. eta vs tors. theta energy: 21.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2844.773076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.773076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.773076 (E_RNA) where: Base-Base interactions energy: -1951.434 where: short stacking energy: -830.590 Base-Backbone interact. energy: -6.932 local terms energy: -886.406270 where: bonds (distance) C4'-P energy: -168.263 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -188.091 flat angles P-C4'-P energy: -115.958 tors. eta vs tors. theta energy: -256.108 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: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2660.475210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.475210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.475210 (E_RNA) where: Base-Base interactions energy: -1778.995 where: short stacking energy: -802.253 Base-Backbone interact. energy: 0.905 local terms energy: -882.384952 where: bonds (distance) C4'-P energy: -165.330 bonds (distance) P-C4' energy: -173.625 flat angles C4'-P-C4' energy: -181.713 flat angles P-C4'-P energy: -125.302 tors. eta vs tors. theta energy: -236.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2568.731196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.731196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.731196 (E_RNA) where: Base-Base interactions energy: -1761.363 where: short stacking energy: -740.280 Base-Backbone interact. energy: -7.090 local terms energy: -800.278517 where: bonds (distance) C4'-P energy: -134.962 bonds (distance) P-C4' energy: -162.764 flat angles C4'-P-C4' energy: -178.179 flat angles P-C4'-P energy: -110.813 tors. eta vs tors. theta energy: -213.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2339.089441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.089441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.089441 (E_RNA) where: Base-Base interactions energy: -1572.980 where: short stacking energy: -684.489 Base-Backbone interact. energy: -1.592 local terms energy: -764.516881 where: bonds (distance) C4'-P energy: -155.821 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -151.204 flat angles P-C4'-P energy: -111.787 tors. eta vs tors. theta energy: -197.091 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: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2178.471948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.471948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.471948 (E_RNA) where: Base-Base interactions energy: -1452.673 where: short stacking energy: -636.825 Base-Backbone interact. energy: -2.484 local terms energy: -723.314756 where: bonds (distance) C4'-P energy: -149.559 bonds (distance) P-C4' energy: -140.446 flat angles C4'-P-C4' energy: -179.150 flat angles P-C4'-P energy: -85.445 tors. eta vs tors. theta energy: -168.715 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1830.260959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.260959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.260959 (E_RNA) where: Base-Base interactions energy: -1175.928 where: short stacking energy: -549.074 Base-Backbone interact. energy: 0.630 local terms energy: -654.962788 where: bonds (distance) C4'-P energy: -124.525 bonds (distance) P-C4' energy: -150.807 flat angles C4'-P-C4' energy: -161.372 flat angles P-C4'-P energy: -82.480 tors. eta vs tors. theta energy: -135.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1714.956287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.956287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.956287 (E_RNA) where: Base-Base interactions energy: -1066.376 where: short stacking energy: -505.818 Base-Backbone interact. energy: -1.754 local terms energy: -646.826394 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -148.463 flat angles C4'-P-C4' energy: -143.287 flat angles P-C4'-P energy: -93.785 tors. eta vs tors. theta energy: -106.812 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1294.148481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.148481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.148481 (E_RNA) where: Base-Base interactions energy: -735.558 where: short stacking energy: -332.844 Base-Backbone interact. energy: 4.809 local terms energy: -563.399569 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -166.346 flat angles C4'-P-C4' energy: -136.960 flat angles P-C4'-P energy: -90.015 tors. eta vs tors. theta energy: -47.748 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: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -914.168237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.168237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.168237 (E_RNA) where: Base-Base interactions energy: -452.095 where: short stacking energy: -232.015 Base-Backbone interact. energy: -0.998 local terms energy: -461.075650 where: bonds (distance) C4'-P energy: -115.419 bonds (distance) P-C4' energy: -150.948 flat angles C4'-P-C4' energy: -122.910 flat angles P-C4'-P energy: -61.690 tors. eta vs tors. theta energy: -10.109 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: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -818.573511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.573511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.573511 (E_RNA) where: Base-Base interactions energy: -375.416 where: short stacking energy: -238.284 Base-Backbone interact. energy: 1.617 local terms energy: -444.774775 where: bonds (distance) C4'-P energy: -119.201 bonds (distance) P-C4' energy: -132.754 flat angles C4'-P-C4' energy: -118.120 flat angles P-C4'-P energy: -83.926 tors. eta vs tors. theta energy: 9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2893.791308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.791308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.791308 (E_RNA) where: Base-Base interactions energy: -1958.349 where: short stacking energy: -878.766 Base-Backbone interact. energy: -6.111 local terms energy: -929.330657 where: bonds (distance) C4'-P energy: -171.512 bonds (distance) P-C4' energy: -178.974 flat angles C4'-P-C4' energy: -193.140 flat angles P-C4'-P energy: -126.574 tors. eta vs tors. theta energy: -259.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2664.860089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.860089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.860089 (E_RNA) where: Base-Base interactions energy: -1808.713 where: short stacking energy: -761.836 Base-Backbone interact. energy: -4.287 local terms energy: -851.859506 where: bonds (distance) C4'-P energy: -165.917 bonds (distance) P-C4' energy: -167.422 flat angles C4'-P-C4' energy: -163.394 flat angles P-C4'-P energy: -123.402 tors. eta vs tors. theta energy: -231.726 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: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2566.634948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.634948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.634948 (E_RNA) where: Base-Base interactions energy: -1752.936 where: short stacking energy: -735.940 Base-Backbone interact. energy: -3.902 local terms energy: -809.796954 where: bonds (distance) C4'-P energy: -155.179 bonds (distance) P-C4' energy: -169.140 flat angles C4'-P-C4' energy: -169.744 flat angles P-C4'-P energy: -106.234 tors. eta vs tors. theta energy: -209.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2376.384827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.384827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.384827 (E_RNA) where: Base-Base interactions energy: -1587.839 where: short stacking energy: -702.925 Base-Backbone interact. energy: -5.592 local terms energy: -782.953906 where: bonds (distance) C4'-P energy: -146.729 bonds (distance) P-C4' energy: -161.734 flat angles C4'-P-C4' energy: -162.802 flat angles P-C4'-P energy: -113.117 tors. eta vs tors. theta energy: -198.571 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2105.604796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.604796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.604796 (E_RNA) where: Base-Base interactions energy: -1378.774 where: short stacking energy: -576.860 Base-Backbone interact. energy: -4.982 local terms energy: -721.848849 where: bonds (distance) C4'-P energy: -152.108 bonds (distance) P-C4' energy: -145.891 flat angles C4'-P-C4' energy: -160.986 flat angles P-C4'-P energy: -101.372 tors. eta vs tors. theta energy: -161.491 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: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1877.544759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.544759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.544759 (E_RNA) where: Base-Base interactions energy: -1214.395 where: short stacking energy: -542.302 Base-Backbone interact. energy: -5.006 local terms energy: -658.143271 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -134.533 flat angles C4'-P-C4' energy: -143.631 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -135.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1659.290147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.290147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.290147 (E_RNA) where: Base-Base interactions energy: -1059.394 where: short stacking energy: -490.135 Base-Backbone interact. energy: 2.397 local terms energy: -602.293742 where: bonds (distance) C4'-P energy: -132.125 bonds (distance) P-C4' energy: -137.448 flat angles C4'-P-C4' energy: -132.757 flat angles P-C4'-P energy: -110.860 tors. eta vs tors. theta energy: -89.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1319.010833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.010833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.010833 (E_RNA) where: Base-Base interactions energy: -767.264 where: short stacking energy: -371.904 Base-Backbone interact. energy: -4.073 local terms energy: -547.673745 where: bonds (distance) C4'-P energy: -147.237 bonds (distance) P-C4' energy: -123.151 flat angles C4'-P-C4' energy: -134.628 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -55.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -920.520739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.520739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.520739 (E_RNA) where: Base-Base interactions energy: -460.374 where: short stacking energy: -269.443 Base-Backbone interact. energy: 3.029 local terms energy: -463.175803 where: bonds (distance) C4'-P energy: -134.107 bonds (distance) P-C4' energy: -141.874 flat angles C4'-P-C4' energy: -109.116 flat angles P-C4'-P energy: -68.499 tors. eta vs tors. theta energy: -9.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -740.614753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.614753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.614753 (E_RNA) where: Base-Base interactions energy: -323.463 where: short stacking energy: -219.804 Base-Backbone interact. energy: 7.848 local terms energy: -424.999899 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -155.461 flat angles C4'-P-C4' energy: -96.644 flat angles P-C4'-P energy: -60.086 tors. eta vs tors. theta energy: 25.334 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: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2861.572115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.572115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.572115 (E_RNA) where: Base-Base interactions energy: -1945.772 where: short stacking energy: -878.922 Base-Backbone interact. energy: 0.393 local terms energy: -916.193308 where: bonds (distance) C4'-P energy: -150.830 bonds (distance) P-C4' energy: -171.675 flat angles C4'-P-C4' energy: -194.289 flat angles P-C4'-P energy: -129.782 tors. eta vs tors. theta energy: -269.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2641.948035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.948035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.948035 (E_RNA) where: Base-Base interactions energy: -1789.921 where: short stacking energy: -785.932 Base-Backbone interact. energy: -3.669 local terms energy: -848.358112 where: bonds (distance) C4'-P energy: -154.782 bonds (distance) P-C4' energy: -167.801 flat angles C4'-P-C4' energy: -176.158 flat angles P-C4'-P energy: -124.550 tors. eta vs tors. theta energy: -225.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2568.867707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.867707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.867707 (E_RNA) where: Base-Base interactions energy: -1746.979 where: short stacking energy: -763.518 Base-Backbone interact. energy: -4.582 local terms energy: -817.306867 where: bonds (distance) C4'-P energy: -138.324 bonds (distance) P-C4' energy: -169.112 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -114.828 tors. eta vs tors. theta energy: -215.240 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: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2393.451234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.451234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.451234 (E_RNA) where: Base-Base interactions energy: -1596.947 where: short stacking energy: -703.249 Base-Backbone interact. energy: 5.844 local terms energy: -802.348139 where: bonds (distance) C4'-P energy: -164.878 bonds (distance) P-C4' energy: -158.496 flat angles C4'-P-C4' energy: -164.003 flat angles P-C4'-P energy: -118.166 tors. eta vs tors. theta energy: -196.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2181.999721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.999721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.999721 (E_RNA) where: Base-Base interactions energy: -1440.350 where: short stacking energy: -648.200 Base-Backbone interact. energy: -1.381 local terms energy: -740.268877 where: bonds (distance) C4'-P energy: -151.457 bonds (distance) P-C4' energy: -150.674 flat angles C4'-P-C4' energy: -163.497 flat angles P-C4'-P energy: -103.750 tors. eta vs tors. theta energy: -170.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1888.455749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.455749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.455749 (E_RNA) where: Base-Base interactions energy: -1201.637 where: short stacking energy: -496.927 Base-Backbone interact. energy: -4.714 local terms energy: -682.104865 where: bonds (distance) C4'-P energy: -140.318 bonds (distance) P-C4' energy: -183.655 flat angles C4'-P-C4' energy: -143.295 flat angles P-C4'-P energy: -91.945 tors. eta vs tors. theta energy: -122.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1676.590195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.590195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.590195 (E_RNA) where: Base-Base interactions energy: -1053.402 where: short stacking energy: -485.166 Base-Backbone interact. energy: 0.491 local terms energy: -623.678552 where: bonds (distance) C4'-P energy: -134.864 bonds (distance) P-C4' energy: -135.097 flat angles C4'-P-C4' energy: -166.613 flat angles P-C4'-P energy: -92.683 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: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1396.800858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.800858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.800858 (E_RNA) where: Base-Base interactions energy: -842.298 where: short stacking energy: -400.577 Base-Backbone interact. energy: -0.449 local terms energy: -554.054404 where: bonds (distance) C4'-P energy: -139.473 bonds (distance) P-C4' energy: -132.861 flat angles C4'-P-C4' energy: -134.803 flat angles P-C4'-P energy: -91.087 tors. eta vs tors. theta energy: -55.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -870.361941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.361941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.361941 (E_RNA) where: Base-Base interactions energy: -425.017 where: short stacking energy: -266.557 Base-Backbone interact. energy: -0.046 local terms energy: -445.298988 where: bonds (distance) C4'-P energy: -121.409 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -113.504 flat angles P-C4'-P energy: -62.988 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: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -771.347548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.347548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.347548 (E_RNA) where: Base-Base interactions energy: -350.297 where: short stacking energy: -195.677 Base-Backbone interact. energy: -0.285 local terms energy: -420.765449 where: bonds (distance) C4'-P energy: -111.448 bonds (distance) P-C4' energy: -124.537 flat angles C4'-P-C4' energy: -126.503 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: 9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2856.862912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.862912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.862912 (E_RNA) where: Base-Base interactions energy: -1965.967 where: short stacking energy: -857.520 Base-Backbone interact. energy: -4.496 local terms energy: -886.400380 where: bonds (distance) C4'-P energy: -160.322 bonds (distance) P-C4' energy: -154.177 flat angles C4'-P-C4' energy: -196.614 flat angles P-C4'-P energy: -121.433 tors. eta vs tors. theta energy: -253.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2687.346517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.346517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.346517 (E_RNA) where: Base-Base interactions energy: -1803.611 where: short stacking energy: -768.397 Base-Backbone interact. energy: -1.400 local terms energy: -882.335985 where: bonds (distance) C4'-P energy: -170.728 bonds (distance) P-C4' energy: -182.472 flat angles C4'-P-C4' energy: -185.177 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -229.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2529.355773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.355773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.355773 (E_RNA) where: Base-Base interactions energy: -1686.755 where: short stacking energy: -734.680 Base-Backbone interact. energy: -6.597 local terms energy: -836.003384 where: bonds (distance) C4'-P energy: -152.587 bonds (distance) P-C4' energy: -155.908 flat angles C4'-P-C4' energy: -176.022 flat angles P-C4'-P energy: -133.840 tors. eta vs tors. theta energy: -217.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2384.770744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.770744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.770744 (E_RNA) where: Base-Base interactions energy: -1597.676 where: short stacking energy: -694.916 Base-Backbone interact. energy: -4.469 local terms energy: -782.625874 where: bonds (distance) C4'-P energy: -158.011 bonds (distance) P-C4' energy: -156.973 flat angles C4'-P-C4' energy: -170.343 flat angles P-C4'-P energy: -103.985 tors. eta vs tors. theta energy: -193.314 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: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2109.690160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.690160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.690160 (E_RNA) where: Base-Base interactions energy: -1420.461 where: short stacking energy: -611.044 Base-Backbone interact. energy: 5.932 local terms energy: -695.160581 where: bonds (distance) C4'-P energy: -134.313 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -164.762 flat angles P-C4'-P energy: -92.639 tors. eta vs tors. theta energy: -157.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1958.581013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.581013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.581013 (E_RNA) where: Base-Base interactions energy: -1300.874 where: short stacking energy: -581.971 Base-Backbone interact. energy: -4.310 local terms energy: -653.396792 where: bonds (distance) C4'-P energy: -136.256 bonds (distance) P-C4' energy: -122.128 flat angles C4'-P-C4' energy: -169.677 flat angles P-C4'-P energy: -98.194 tors. eta vs tors. theta energy: -127.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1779.026972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.026972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.026972 (E_RNA) where: Base-Base interactions energy: -1147.269 where: short stacking energy: -523.587 Base-Backbone interact. energy: 1.911 local terms energy: -633.669073 where: bonds (distance) C4'-P energy: -118.031 bonds (distance) P-C4' energy: -150.733 flat angles C4'-P-C4' energy: -162.227 flat angles P-C4'-P energy: -88.234 tors. eta vs tors. theta energy: -114.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1388.154833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.154833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.154833 (E_RNA) where: Base-Base interactions energy: -880.450 where: short stacking energy: -392.297 Base-Backbone interact. energy: -0.155 local terms energy: -507.549214 where: bonds (distance) C4'-P energy: -128.144 bonds (distance) P-C4' energy: -129.226 flat angles C4'-P-C4' energy: -128.676 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: -52.350 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: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -987.854499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.854499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.854499 (E_RNA) where: Base-Base interactions energy: -482.826 where: short stacking energy: -281.287 Base-Backbone interact. energy: 1.628 local terms energy: -506.657281 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -125.934 flat angles C4'-P-C4' energy: -142.680 flat angles P-C4'-P energy: -90.476 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -769.006381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.006381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.006381 (E_RNA) where: Base-Base interactions energy: -323.198 where: short stacking energy: -212.500 Base-Backbone interact. energy: 2.996 local terms energy: -448.804137 where: bonds (distance) C4'-P energy: -107.778 bonds (distance) P-C4' energy: -147.524 flat angles C4'-P-C4' energy: -111.135 flat angles P-C4'-P energy: -85.478 tors. eta vs tors. theta energy: 3.111 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: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2840.195607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.195607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.195607 (E_RNA) where: Base-Base interactions energy: -1932.632 where: short stacking energy: -844.298 Base-Backbone interact. energy: -5.356 local terms energy: -902.208177 where: bonds (distance) C4'-P energy: -151.057 bonds (distance) P-C4' energy: -169.539 flat angles C4'-P-C4' energy: -196.964 flat angles P-C4'-P energy: -134.140 tors. eta vs tors. theta energy: -250.507 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: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2720.861027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.861027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.861027 (E_RNA) where: Base-Base interactions energy: -1858.526 where: short stacking energy: -781.211 Base-Backbone interact. energy: -2.017 local terms energy: -860.318430 where: bonds (distance) C4'-P energy: -149.339 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -180.774 flat angles P-C4'-P energy: -129.877 tors. eta vs tors. theta energy: -249.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2497.020940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.020940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.020940 (E_RNA) where: Base-Base interactions energy: -1682.888 where: short stacking energy: -753.958 Base-Backbone interact. energy: -1.584 local terms energy: -812.549275 where: bonds (distance) C4'-P energy: -152.448 bonds (distance) P-C4' energy: -144.342 flat angles C4'-P-C4' energy: -198.045 flat angles P-C4'-P energy: -117.613 tors. eta vs tors. theta energy: -200.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2462.276686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.276686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.276686 (E_RNA) where: Base-Base interactions energy: -1683.979 where: short stacking energy: -713.933 Base-Backbone interact. energy: -0.156 local terms energy: -778.141248 where: bonds (distance) C4'-P energy: -163.454 bonds (distance) P-C4' energy: -140.758 flat angles C4'-P-C4' energy: -168.488 flat angles P-C4'-P energy: -101.337 tors. eta vs tors. theta energy: -204.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2134.262220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.262220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.262220 (E_RNA) where: Base-Base interactions energy: -1418.474 where: short stacking energy: -635.841 Base-Backbone interact. energy: -3.453 local terms energy: -712.335406 where: bonds (distance) C4'-P energy: -143.290 bonds (distance) P-C4' energy: -137.732 flat angles C4'-P-C4' energy: -167.776 flat angles P-C4'-P energy: -95.310 tors. eta vs tors. theta energy: -168.227 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: 134 Temperature: 1.150000 Total energy: -1877.769094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.769094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.769094 (E_RNA) where: Base-Base interactions energy: -1243.176 where: short stacking energy: -565.960 Base-Backbone interact. energy: -4.478 local terms energy: -630.115224 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -147.350 flat angles P-C4'-P energy: -81.185 tors. eta vs tors. theta energy: -122.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1738.657269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.657269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.657269 (E_RNA) where: Base-Base interactions energy: -1110.319 where: short stacking energy: -496.887 Base-Backbone interact. energy: 1.456 local terms energy: -629.794514 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -140.512 flat angles C4'-P-C4' energy: -148.470 flat angles P-C4'-P energy: -110.346 tors. eta vs tors. theta energy: -114.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1411.180152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.180152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.180152 (E_RNA) where: Base-Base interactions energy: -909.473 where: short stacking energy: -405.825 Base-Backbone interact. energy: -1.296 local terms energy: -500.411495 where: bonds (distance) C4'-P energy: -121.315 bonds (distance) P-C4' energy: -134.399 flat angles C4'-P-C4' energy: -126.209 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -55.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -955.106026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.106026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.106026 (E_RNA) where: Base-Base interactions energy: -505.893 where: short stacking energy: -299.073 Base-Backbone interact. energy: -4.944 local terms energy: -444.268683 where: bonds (distance) C4'-P energy: -110.353 bonds (distance) P-C4' energy: -137.401 flat angles C4'-P-C4' energy: -128.778 flat angles P-C4'-P energy: -58.168 tors. eta vs tors. theta energy: -9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -830.362701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.362701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.362701 (E_RNA) where: Base-Base interactions energy: -419.136 where: short stacking energy: -204.606 Base-Backbone interact. energy: 3.547 local terms energy: -414.773740 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -147.559 flat angles C4'-P-C4' energy: -120.068 flat angles P-C4'-P energy: -44.871 tors. eta vs tors. theta energy: 9.414 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: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2852.292366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.292366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.292366 (E_RNA) where: Base-Base interactions energy: -1957.416 where: short stacking energy: -841.345 Base-Backbone interact. energy: -4.668 local terms energy: -890.208989 where: bonds (distance) C4'-P energy: -154.534 bonds (distance) P-C4' energy: -177.984 flat angles C4'-P-C4' energy: -182.198 flat angles P-C4'-P energy: -125.344 tors. eta vs tors. theta energy: -250.149 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: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2677.837832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.837832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.837832 (E_RNA) where: Base-Base interactions energy: -1771.843 where: short stacking energy: -785.855 Base-Backbone interact. energy: -2.841 local terms energy: -903.153866 where: bonds (distance) C4'-P energy: -173.351 bonds (distance) P-C4' energy: -163.645 flat angles C4'-P-C4' energy: -185.858 flat angles P-C4'-P energy: -143.714 tors. eta vs tors. theta energy: -236.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2462.801216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.801216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.801216 (E_RNA) where: Base-Base interactions energy: -1644.240 where: short stacking energy: -711.770 Base-Backbone interact. energy: 0.441 local terms energy: -819.002952 where: bonds (distance) C4'-P energy: -151.678 bonds (distance) P-C4' energy: -159.487 flat angles C4'-P-C4' energy: -183.211 flat angles P-C4'-P energy: -130.788 tors. eta vs tors. theta energy: -193.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2453.507495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.507495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.507495 (E_RNA) where: Base-Base interactions energy: -1672.196 where: short stacking energy: -714.485 Base-Backbone interact. energy: -1.868 local terms energy: -779.443967 where: bonds (distance) C4'-P energy: -153.390 bonds (distance) P-C4' energy: -151.700 flat angles C4'-P-C4' energy: -178.111 flat angles P-C4'-P energy: -103.350 tors. eta vs tors. theta energy: -192.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2199.095434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.095434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.095434 (E_RNA) where: Base-Base interactions energy: -1466.189 where: short stacking energy: -634.570 Base-Backbone interact. energy: 0.100 local terms energy: -733.006423 where: bonds (distance) C4'-P energy: -137.873 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -181.903 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -159.399 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: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1825.989107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.989107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.989107 (E_RNA) where: Base-Base interactions energy: -1170.128 where: short stacking energy: -517.915 Base-Backbone interact. energy: -0.248 local terms energy: -655.612752 where: bonds (distance) C4'-P energy: -147.983 bonds (distance) P-C4' energy: -157.252 flat angles C4'-P-C4' energy: -129.549 flat angles P-C4'-P energy: -100.068 tors. eta vs tors. theta energy: -120.760 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: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1808.864211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.864211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.864211 (E_RNA) where: Base-Base interactions energy: -1173.752 where: short stacking energy: -527.583 Base-Backbone interact. energy: -3.053 local terms energy: -632.059074 where: bonds (distance) C4'-P energy: -146.382 bonds (distance) P-C4' energy: -129.123 flat angles C4'-P-C4' energy: -141.434 flat angles P-C4'-P energy: -88.218 tors. eta vs tors. theta energy: -126.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1396.024700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.024700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.024700 (E_RNA) where: Base-Base interactions energy: -854.279 where: short stacking energy: -394.481 Base-Backbone interact. energy: 6.100 local terms energy: -547.846138 where: bonds (distance) C4'-P energy: -149.800 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -132.961 flat angles P-C4'-P energy: -82.476 tors. eta vs tors. theta energy: -44.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -909.896519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.896519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.896519 (E_RNA) where: Base-Base interactions energy: -448.800 where: short stacking energy: -242.515 Base-Backbone interact. energy: -1.025 local terms energy: -460.071324 where: bonds (distance) C4'-P energy: -115.535 bonds (distance) P-C4' energy: -132.898 flat angles C4'-P-C4' energy: -132.043 flat angles P-C4'-P energy: -80.910 tors. eta vs tors. theta energy: 1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -816.218351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.218351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.218351 (E_RNA) where: Base-Base interactions energy: -427.258 where: short stacking energy: -243.072 Base-Backbone interact. energy: 4.708 local terms energy: -393.668631 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -117.424 flat angles C4'-P-C4' energy: -137.212 flat angles P-C4'-P energy: -40.260 tors. eta vs tors. theta energy: 9.236 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: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2849.015235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.015235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.015235 (E_RNA) where: Base-Base interactions energy: -1952.977 where: short stacking energy: -846.639 Base-Backbone interact. energy: -2.693 local terms energy: -893.344698 where: bonds (distance) C4'-P energy: -159.322 bonds (distance) P-C4' energy: -165.053 flat angles C4'-P-C4' energy: -193.912 flat angles P-C4'-P energy: -131.813 tors. eta vs tors. theta energy: -243.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2686.521767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.521767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.521767 (E_RNA) where: Base-Base interactions energy: -1843.006 where: short stacking energy: -810.435 Base-Backbone interact. energy: -3.163 local terms energy: -840.352736 where: bonds (distance) C4'-P energy: -150.655 bonds (distance) P-C4' energy: -153.694 flat angles C4'-P-C4' energy: -190.700 flat angles P-C4'-P energy: -103.591 tors. eta vs tors. theta energy: -241.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2458.098240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.098240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.098240 (E_RNA) where: Base-Base interactions energy: -1687.933 where: short stacking energy: -759.822 Base-Backbone interact. energy: -0.993 local terms energy: -769.172749 where: bonds (distance) C4'-P energy: -148.437 bonds (distance) P-C4' energy: -144.900 flat angles C4'-P-C4' energy: -176.046 flat angles P-C4'-P energy: -100.689 tors. eta vs tors. theta energy: -199.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2418.769124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.769124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.769124 (E_RNA) where: Base-Base interactions energy: -1637.288 where: short stacking energy: -681.711 Base-Backbone interact. energy: -4.909 local terms energy: -776.571183 where: bonds (distance) C4'-P energy: -145.026 bonds (distance) P-C4' energy: -144.175 flat angles C4'-P-C4' energy: -181.885 flat angles P-C4'-P energy: -125.985 tors. eta vs tors. theta energy: -179.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2143.829970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.829970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.829970 (E_RNA) where: Base-Base interactions energy: -1435.006 where: short stacking energy: -609.333 Base-Backbone interact. energy: -2.342 local terms energy: -706.481697 where: bonds (distance) C4'-P energy: -154.876 bonds (distance) P-C4' energy: -141.386 flat angles C4'-P-C4' energy: -156.942 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -159.898 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: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1876.140682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.140682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.140682 (E_RNA) where: Base-Base interactions energy: -1206.499 where: short stacking energy: -541.879 Base-Backbone interact. energy: -3.550 local terms energy: -666.091598 where: bonds (distance) C4'-P energy: -143.040 bonds (distance) P-C4' energy: -135.149 flat angles C4'-P-C4' energy: -154.973 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -128.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1757.707586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.707586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.707586 (E_RNA) where: Base-Base interactions energy: -1099.567 where: short stacking energy: -531.266 Base-Backbone interact. energy: -5.445 local terms energy: -652.695575 where: bonds (distance) C4'-P energy: -137.290 bonds (distance) P-C4' energy: -144.500 flat angles C4'-P-C4' energy: -161.185 flat angles P-C4'-P energy: -76.379 tors. eta vs tors. theta energy: -133.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1432.882144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.882144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.882144 (E_RNA) where: Base-Base interactions energy: -866.538 where: short stacking energy: -398.408 Base-Backbone interact. energy: -3.959 local terms energy: -562.385871 where: bonds (distance) C4'-P energy: -108.214 bonds (distance) P-C4' energy: -147.849 flat angles C4'-P-C4' energy: -136.380 flat angles P-C4'-P energy: -100.810 tors. eta vs tors. theta energy: -69.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -874.815475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.815475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.815475 (E_RNA) where: Base-Base interactions energy: -432.993 where: short stacking energy: -273.598 Base-Backbone interact. energy: -1.247 local terms energy: -440.575288 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -131.750 flat angles C4'-P-C4' energy: -128.846 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -770.733566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.733566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.733566 (E_RNA) where: Base-Base interactions energy: -332.343 where: short stacking energy: -216.662 Base-Backbone interact. energy: 7.546 local terms energy: -445.936838 where: bonds (distance) C4'-P energy: -130.526 bonds (distance) P-C4' energy: -156.262 flat angles C4'-P-C4' energy: -103.440 flat angles P-C4'-P energy: -63.783 tors. eta vs tors. theta energy: 8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2807.699367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.699367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.699367 (E_RNA) where: Base-Base interactions energy: -1935.297 where: short stacking energy: -845.265 Base-Backbone interact. energy: -1.229 local terms energy: -871.172527 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -163.766 flat angles C4'-P-C4' energy: -190.403 flat angles P-C4'-P energy: -126.828 tors. eta vs tors. theta energy: -239.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2687.925532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.925532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.925532 (E_RNA) where: Base-Base interactions energy: -1824.299 where: short stacking energy: -821.782 Base-Backbone interact. energy: -3.834 local terms energy: -859.791995 where: bonds (distance) C4'-P energy: -150.574 bonds (distance) P-C4' energy: -155.689 flat angles C4'-P-C4' energy: -186.090 flat angles P-C4'-P energy: -120.815 tors. eta vs tors. theta energy: -246.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2445.898893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.898893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.898893 (E_RNA) where: Base-Base interactions energy: -1645.243 where: short stacking energy: -731.577 Base-Backbone interact. energy: 0.952 local terms energy: -801.608166 where: bonds (distance) C4'-P energy: -162.000 bonds (distance) P-C4' energy: -149.237 flat angles C4'-P-C4' energy: -177.182 flat angles P-C4'-P energy: -115.133 tors. eta vs tors. theta energy: -198.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2453.069147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.069147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.069147 (E_RNA) where: Base-Base interactions energy: -1686.239 where: short stacking energy: -736.161 Base-Backbone interact. energy: -2.999 local terms energy: -763.830599 where: bonds (distance) C4'-P energy: -150.283 bonds (distance) P-C4' energy: -155.996 flat angles C4'-P-C4' energy: -153.141 flat angles P-C4'-P energy: -97.825 tors. eta vs tors. theta energy: -206.586 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2199.290662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.290662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.290662 (E_RNA) where: Base-Base interactions energy: -1428.554 where: short stacking energy: -622.100 Base-Backbone interact. energy: 3.682 local terms energy: -774.419428 where: bonds (distance) C4'-P energy: -156.869 bonds (distance) P-C4' energy: -164.453 flat angles C4'-P-C4' energy: -166.087 flat angles P-C4'-P energy: -111.581 tors. eta vs tors. theta energy: -175.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2016.231116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.231116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.231116 (E_RNA) where: Base-Base interactions energy: -1341.713 where: short stacking energy: -556.281 Base-Backbone interact. energy: -2.139 local terms energy: -672.378570 where: bonds (distance) C4'-P energy: -132.374 bonds (distance) P-C4' energy: -141.524 flat angles C4'-P-C4' energy: -155.552 flat angles P-C4'-P energy: -88.758 tors. eta vs tors. theta energy: -154.170 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: 3 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1696.372156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.372156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.372156 (E_RNA) where: Base-Base interactions energy: -1089.901 where: short stacking energy: -492.055 Base-Backbone interact. energy: 5.109 local terms energy: -611.580340 where: bonds (distance) C4'-P energy: -125.039 bonds (distance) P-C4' energy: -144.695 flat angles C4'-P-C4' energy: -143.021 flat angles P-C4'-P energy: -104.544 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: 8, replica: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1438.130527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.130527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.130527 (E_RNA) where: Base-Base interactions energy: -904.868 where: short stacking energy: -438.498 Base-Backbone interact. energy: 3.483 local terms energy: -536.745192 where: bonds (distance) C4'-P energy: -137.991 bonds (distance) P-C4' energy: -120.903 flat angles C4'-P-C4' energy: -125.718 flat angles P-C4'-P energy: -75.304 tors. eta vs tors. theta energy: -76.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -811.469696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.469696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.469696 (E_RNA) where: Base-Base interactions energy: -416.416 where: short stacking energy: -257.719 Base-Backbone interact. energy: 6.188 local terms energy: -401.242563 where: bonds (distance) C4'-P energy: -129.564 bonds (distance) P-C4' energy: -112.014 flat angles C4'-P-C4' energy: -112.053 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: 7.858 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: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -783.508468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.508468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.508468 (E_RNA) where: Base-Base interactions energy: -359.586 where: short stacking energy: -225.235 Base-Backbone interact. energy: -1.241 local terms energy: -422.681163 where: bonds (distance) C4'-P energy: -110.721 bonds (distance) P-C4' energy: -127.186 flat angles C4'-P-C4' energy: -125.506 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: 5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2861.774889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.774889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.774889 (E_RNA) where: Base-Base interactions energy: -1955.543 where: short stacking energy: -863.238 Base-Backbone interact. energy: 1.914 local terms energy: -908.146130 where: bonds (distance) C4'-P energy: -158.462 bonds (distance) P-C4' energy: -169.707 flat angles C4'-P-C4' energy: -196.721 flat angles P-C4'-P energy: -128.386 tors. eta vs tors. theta energy: -254.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2688.451091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.451091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.451091 (E_RNA) where: Base-Base interactions energy: -1810.596 where: short stacking energy: -795.101 Base-Backbone interact. energy: 1.406 local terms energy: -879.261468 where: bonds (distance) C4'-P energy: -145.263 bonds (distance) P-C4' energy: -168.626 flat angles C4'-P-C4' energy: -199.668 flat angles P-C4'-P energy: -120.012 tors. eta vs tors. theta energy: -245.693 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: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2482.043489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.043489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.043489 (E_RNA) where: Base-Base interactions energy: -1680.915 where: short stacking energy: -732.727 Base-Backbone interact. energy: -0.692 local terms energy: -800.436753 where: bonds (distance) C4'-P energy: -145.391 bonds (distance) P-C4' energy: -158.259 flat angles C4'-P-C4' energy: -177.828 flat angles P-C4'-P energy: -118.748 tors. eta vs tors. theta energy: -200.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2462.571431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.571431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.571431 (E_RNA) where: Base-Base interactions energy: -1680.873 where: short stacking energy: -738.674 Base-Backbone interact. energy: -0.724 local terms energy: -780.974946 where: bonds (distance) C4'-P energy: -142.751 bonds (distance) P-C4' energy: -157.051 flat angles C4'-P-C4' energy: -164.564 flat angles P-C4'-P energy: -111.918 tors. eta vs tors. theta energy: -204.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2226.760002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.760002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.760002 (E_RNA) where: Base-Base interactions energy: -1495.546 where: short stacking energy: -644.198 Base-Backbone interact. energy: -2.706 local terms energy: -728.508050 where: bonds (distance) C4'-P energy: -157.407 bonds (distance) P-C4' energy: -149.116 flat angles C4'-P-C4' energy: -154.406 flat angles P-C4'-P energy: -103.374 tors. eta vs tors. theta energy: -164.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1973.518874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.518874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.518874 (E_RNA) where: Base-Base interactions energy: -1283.520 where: short stacking energy: -559.677 Base-Backbone interact. energy: 0.241 local terms energy: -690.239095 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -165.776 flat angles C4'-P-C4' energy: -141.994 flat angles P-C4'-P energy: -90.047 tors. eta vs tors. theta energy: -144.656 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: 7, replica: 3 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1786.541980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.541980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.541980 (E_RNA) where: Base-Base interactions energy: -1142.852 where: short stacking energy: -498.396 Base-Backbone interact. energy: 0.990 local terms energy: -644.679727 where: bonds (distance) C4'-P energy: -119.049 bonds (distance) P-C4' energy: -152.898 flat angles C4'-P-C4' energy: -167.997 flat angles P-C4'-P energy: -78.675 tors. eta vs tors. theta energy: -126.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1442.037468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.037468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.037468 (E_RNA) where: Base-Base interactions energy: -838.184 where: short stacking energy: -404.839 Base-Backbone interact. energy: -0.715 local terms energy: -603.138467 where: bonds (distance) C4'-P energy: -133.901 bonds (distance) P-C4' energy: -163.800 flat angles C4'-P-C4' energy: -120.391 flat angles P-C4'-P energy: -90.760 tors. eta vs tors. theta energy: -94.286 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: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -830.154739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.154739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.154739 (E_RNA) where: Base-Base interactions energy: -374.798 where: short stacking energy: -238.460 Base-Backbone interact. energy: 5.241 local terms energy: -460.598091 where: bonds (distance) C4'-P energy: -138.557 bonds (distance) P-C4' energy: -151.316 flat angles C4'-P-C4' energy: -105.837 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: 4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -703.153184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.153184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.153184 (E_RNA) where: Base-Base interactions energy: -336.032 where: short stacking energy: -190.422 Base-Backbone interact. energy: 1.412 local terms energy: -368.533461 where: bonds (distance) C4'-P energy: -121.500 bonds (distance) P-C4' energy: -123.714 flat angles C4'-P-C4' energy: -90.548 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: 28.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2861.311562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.311562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.311562 (E_RNA) where: Base-Base interactions energy: -1997.006 where: short stacking energy: -857.199 Base-Backbone interact. energy: -1.245 local terms energy: -863.060314 where: bonds (distance) C4'-P energy: -142.636 bonds (distance) P-C4' energy: -167.946 flat angles C4'-P-C4' energy: -175.622 flat angles P-C4'-P energy: -123.918 tors. eta vs tors. theta energy: -252.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2686.481490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.481490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.481490 (E_RNA) where: Base-Base interactions energy: -1792.946 where: short stacking energy: -785.704 Base-Backbone interact. energy: -3.825 local terms energy: -889.710292 where: bonds (distance) C4'-P energy: -153.162 bonds (distance) P-C4' energy: -178.411 flat angles C4'-P-C4' energy: -191.285 flat angles P-C4'-P energy: -129.547 tors. eta vs tors. theta energy: -237.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2455.245454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.245454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.245454 (E_RNA) where: Base-Base interactions energy: -1623.649 where: short stacking energy: -686.748 Base-Backbone interact. energy: -1.355 local terms energy: -830.241346 where: bonds (distance) C4'-P energy: -154.316 bonds (distance) P-C4' energy: -181.380 flat angles C4'-P-C4' energy: -179.017 flat angles P-C4'-P energy: -114.115 tors. eta vs tors. theta energy: -201.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2463.505117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.505117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.505117 (E_RNA) where: Base-Base interactions energy: -1691.112 where: short stacking energy: -710.469 Base-Backbone interact. energy: -6.290 local terms energy: -766.102265 where: bonds (distance) C4'-P energy: -138.689 bonds (distance) P-C4' energy: -158.898 flat angles C4'-P-C4' energy: -165.538 flat angles P-C4'-P energy: -110.437 tors. eta vs tors. theta energy: -192.541 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: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2212.055463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.055463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.055463 (E_RNA) where: Base-Base interactions energy: -1467.198 where: short stacking energy: -636.259 Base-Backbone interact. energy: -2.328 local terms energy: -742.529331 where: bonds (distance) C4'-P energy: -150.715 bonds (distance) P-C4' energy: -164.290 flat angles C4'-P-C4' energy: -165.963 flat angles P-C4'-P energy: -102.955 tors. eta vs tors. theta energy: -158.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1895.285541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.285541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.285541 (E_RNA) where: Base-Base interactions energy: -1215.195 where: short stacking energy: -517.999 Base-Backbone interact. energy: -3.562 local terms energy: -676.527937 where: bonds (distance) C4'-P energy: -155.688 bonds (distance) P-C4' energy: -145.086 flat angles C4'-P-C4' energy: -149.100 flat angles P-C4'-P energy: -89.193 tors. eta vs tors. theta energy: -137.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1742.278479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.278479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.278479 (E_RNA) where: Base-Base interactions energy: -1078.450 where: short stacking energy: -495.722 Base-Backbone interact. energy: 5.683 local terms energy: -669.511378 where: bonds (distance) C4'-P energy: -142.965 bonds (distance) P-C4' energy: -149.899 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -109.878 tors. eta vs tors. theta energy: -116.940 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: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1539.452504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.452504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.452504 (E_RNA) where: Base-Base interactions energy: -967.265 where: short stacking energy: -459.676 Base-Backbone interact. energy: 1.447 local terms energy: -573.634546 where: bonds (distance) C4'-P energy: -114.048 bonds (distance) P-C4' energy: -129.938 flat angles C4'-P-C4' energy: -136.348 flat angles P-C4'-P energy: -89.487 tors. eta vs tors. theta energy: -103.812 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: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -841.863573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.863573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.863573 (E_RNA) where: Base-Base interactions energy: -383.084 where: short stacking energy: -256.914 Base-Backbone interact. energy: -0.434 local terms energy: -458.345802 where: bonds (distance) C4'-P energy: -137.010 bonds (distance) P-C4' energy: -136.013 flat angles C4'-P-C4' energy: -127.659 flat angles P-C4'-P energy: -69.515 tors. eta vs tors. theta energy: 11.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -728.242330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.242330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.242330 (E_RNA) where: Base-Base interactions energy: -304.406 where: short stacking energy: -204.678 Base-Backbone interact. energy: 1.665 local terms energy: -425.501001 where: bonds (distance) C4'-P energy: -120.298 bonds (distance) P-C4' energy: -136.593 flat angles C4'-P-C4' energy: -128.194 flat angles P-C4'-P energy: -53.966 tors. eta vs tors. theta energy: 13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2848.756609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.756609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.756609 (E_RNA) where: Base-Base interactions energy: -1933.141 where: short stacking energy: -833.753 Base-Backbone interact. energy: -3.269 local terms energy: -912.346981 where: bonds (distance) C4'-P energy: -168.838 bonds (distance) P-C4' energy: -162.108 flat angles C4'-P-C4' energy: -202.352 flat angles P-C4'-P energy: -129.385 tors. eta vs tors. theta energy: -249.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2689.668000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.668000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.668000 (E_RNA) where: Base-Base interactions energy: -1787.682 where: short stacking energy: -777.758 Base-Backbone interact. energy: -8.520 local terms energy: -893.466084 where: bonds (distance) C4'-P energy: -161.522 bonds (distance) P-C4' energy: -175.490 flat angles C4'-P-C4' energy: -188.748 flat angles P-C4'-P energy: -127.375 tors. eta vs tors. theta energy: -240.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2479.512552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.512552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.512552 (E_RNA) where: Base-Base interactions energy: -1675.437 where: short stacking energy: -720.575 Base-Backbone interact. energy: -1.220 local terms energy: -802.854789 where: bonds (distance) C4'-P energy: -157.760 bonds (distance) P-C4' energy: -156.164 flat angles C4'-P-C4' energy: -160.743 flat angles P-C4'-P energy: -122.240 tors. eta vs tors. theta energy: -205.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2421.590159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.590159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.590159 (E_RNA) where: Base-Base interactions energy: -1626.925 where: short stacking energy: -693.380 Base-Backbone interact. energy: -3.405 local terms energy: -791.260325 where: bonds (distance) C4'-P energy: -152.053 bonds (distance) P-C4' energy: -164.277 flat angles C4'-P-C4' energy: -172.545 flat angles P-C4'-P energy: -105.471 tors. eta vs tors. theta energy: -196.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2144.073943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.073943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.073943 (E_RNA) where: Base-Base interactions energy: -1438.831 where: short stacking energy: -636.799 Base-Backbone interact. energy: -3.601 local terms energy: -701.642830 where: bonds (distance) C4'-P energy: -145.788 bonds (distance) P-C4' energy: -140.526 flat angles C4'-P-C4' energy: -154.620 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -171.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1931.245158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.245158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.245158 (E_RNA) where: Base-Base interactions energy: -1246.239 where: short stacking energy: -530.030 Base-Backbone interact. energy: -3.203 local terms energy: -681.802955 where: bonds (distance) C4'-P energy: -130.511 bonds (distance) P-C4' energy: -163.313 flat angles C4'-P-C4' energy: -156.702 flat angles P-C4'-P energy: -101.368 tors. eta vs tors. theta energy: -129.909 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: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1759.088959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.088959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.088959 (E_RNA) where: Base-Base interactions energy: -1114.959 where: short stacking energy: -527.086 Base-Backbone interact. energy: 0.992 local terms energy: -645.122017 where: bonds (distance) C4'-P energy: -152.452 bonds (distance) P-C4' energy: -128.233 flat angles C4'-P-C4' energy: -157.274 flat angles P-C4'-P energy: -97.202 tors. eta vs tors. theta energy: -109.962 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: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1559.992724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.992724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.992724 (E_RNA) where: Base-Base interactions energy: -965.281 where: short stacking energy: -417.840 Base-Backbone interact. energy: -1.718 local terms energy: -592.993582 where: bonds (distance) C4'-P energy: -113.274 bonds (distance) P-C4' energy: -155.842 flat angles C4'-P-C4' energy: -146.006 flat angles P-C4'-P energy: -91.193 tors. eta vs tors. theta energy: -86.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -827.233042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.233042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.233042 (E_RNA) where: Base-Base interactions energy: -408.700 where: short stacking energy: -228.879 Base-Backbone interact. energy: -0.209 local terms energy: -418.323967 where: bonds (distance) C4'-P energy: -126.473 bonds (distance) P-C4' energy: -126.330 flat angles C4'-P-C4' energy: -106.814 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: 19.405 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -758.233197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.233197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.233197 (E_RNA) where: Base-Base interactions energy: -326.549 where: short stacking energy: -179.825 Base-Backbone interact. energy: -1.890 local terms energy: -429.793290 where: bonds (distance) C4'-P energy: -128.513 bonds (distance) P-C4' energy: -134.156 flat angles C4'-P-C4' energy: -121.236 flat angles P-C4'-P energy: -58.702 tors. eta vs tors. theta energy: 12.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2838.782793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.782793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.782793 (E_RNA) where: Base-Base interactions energy: -1934.007 where: short stacking energy: -850.897 Base-Backbone interact. energy: -4.212 local terms energy: -900.563271 where: bonds (distance) C4'-P energy: -163.301 bonds (distance) P-C4' energy: -170.503 flat angles C4'-P-C4' energy: -189.596 flat angles P-C4'-P energy: -129.079 tors. eta vs tors. theta energy: -248.084 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: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2695.387016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.387016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.387016 (E_RNA) where: Base-Base interactions energy: -1809.502 where: short stacking energy: -776.577 Base-Backbone interact. energy: -4.800 local terms energy: -881.085140 where: bonds (distance) C4'-P energy: -151.509 bonds (distance) P-C4' energy: -182.092 flat angles C4'-P-C4' energy: -201.236 flat angles P-C4'-P energy: -115.421 tors. eta vs tors. theta energy: -230.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2517.486235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.486235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.486235 (E_RNA) where: Base-Base interactions energy: -1679.813 where: short stacking energy: -725.753 Base-Backbone interact. energy: -4.937 local terms energy: -832.737123 where: bonds (distance) C4'-P energy: -152.245 bonds (distance) P-C4' energy: -173.002 flat angles C4'-P-C4' energy: -180.229 flat angles P-C4'-P energy: -124.119 tors. eta vs tors. theta energy: -203.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2395.164751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.164751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.164751 (E_RNA) where: Base-Base interactions energy: -1628.875 where: short stacking energy: -730.452 Base-Backbone interact. energy: -4.317 local terms energy: -761.973005 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -157.334 flat angles C4'-P-C4' energy: -161.949 flat angles P-C4'-P energy: -86.983 tors. eta vs tors. theta energy: -208.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2138.361578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.361578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.361578 (E_RNA) where: Base-Base interactions energy: -1445.280 where: short stacking energy: -620.119 Base-Backbone interact. energy: -1.058 local terms energy: -692.024128 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -148.574 flat angles C4'-P-C4' energy: -162.623 flat angles P-C4'-P energy: -94.999 tors. eta vs tors. theta energy: -162.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1944.253700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.253700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.253700 (E_RNA) where: Base-Base interactions energy: -1278.527 where: short stacking energy: -566.938 Base-Backbone interact. energy: -0.848 local terms energy: -664.878795 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -147.571 flat angles C4'-P-C4' energy: -162.421 flat angles P-C4'-P energy: -99.993 tors. eta vs tors. theta energy: -122.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1720.731097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.731097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.731097 (E_RNA) where: Base-Base interactions energy: -1091.847 where: short stacking energy: -478.462 Base-Backbone interact. energy: -2.938 local terms energy: -625.946457 where: bonds (distance) C4'-P energy: -137.711 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -140.952 flat angles P-C4'-P energy: -97.913 tors. eta vs tors. theta energy: -100.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1450.503092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.503092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.503092 (E_RNA) where: Base-Base interactions energy: -880.256 where: short stacking energy: -396.633 Base-Backbone interact. energy: 0.148 local terms energy: -570.394784 where: bonds (distance) C4'-P energy: -129.645 bonds (distance) P-C4' energy: -162.076 flat angles C4'-P-C4' energy: -143.621 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: -67.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -907.507498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.507498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.507498 (E_RNA) where: Base-Base interactions energy: -437.331 where: short stacking energy: -246.112 Base-Backbone interact. energy: -2.712 local terms energy: -467.464307 where: bonds (distance) C4'-P energy: -132.955 bonds (distance) P-C4' energy: -158.278 flat angles C4'-P-C4' energy: -109.984 flat angles P-C4'-P energy: -61.286 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -763.931292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.931292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.931292 (E_RNA) where: Base-Base interactions energy: -324.942 where: short stacking energy: -205.455 Base-Backbone interact. energy: -0.256 local terms energy: -438.733141 where: bonds (distance) C4'-P energy: -140.442 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -62.056 tors. eta vs tors. theta energy: 13.180 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: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2884.205737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.205737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.205737 (E_RNA) where: Base-Base interactions energy: -1985.514 where: short stacking energy: -872.550 Base-Backbone interact. energy: -3.725 local terms energy: -894.967066 where: bonds (distance) C4'-P energy: -153.283 bonds (distance) P-C4' energy: -162.475 flat angles C4'-P-C4' energy: -187.999 flat angles P-C4'-P energy: -129.597 tors. eta vs tors. theta energy: -261.613 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: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2683.319207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.319207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.319207 (E_RNA) where: Base-Base interactions energy: -1825.340 where: short stacking energy: -807.532 Base-Backbone interact. energy: -2.297 local terms energy: -855.682913 where: bonds (distance) C4'-P energy: -140.884 bonds (distance) P-C4' energy: -170.540 flat angles C4'-P-C4' energy: -181.989 flat angles P-C4'-P energy: -118.740 tors. eta vs tors. theta energy: -243.530 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: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2470.940627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.940627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.940627 (E_RNA) where: Base-Base interactions energy: -1649.541 where: short stacking energy: -711.924 Base-Backbone interact. energy: -2.658 local terms energy: -818.740918 where: bonds (distance) C4'-P energy: -145.551 bonds (distance) P-C4' energy: -161.941 flat angles C4'-P-C4' energy: -181.225 flat angles P-C4'-P energy: -127.582 tors. eta vs tors. theta energy: -202.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2370.766679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.766679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.766679 (E_RNA) where: Base-Base interactions energy: -1616.010 where: short stacking energy: -709.693 Base-Backbone interact. energy: -0.330 local terms energy: -754.426133 where: bonds (distance) C4'-P energy: -143.553 bonds (distance) P-C4' energy: -157.424 flat angles C4'-P-C4' energy: -169.612 flat angles P-C4'-P energy: -91.456 tors. eta vs tors. theta energy: -192.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2156.439032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.439032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.439032 (E_RNA) where: Base-Base interactions energy: -1420.334 where: short stacking energy: -617.830 Base-Backbone interact. energy: -3.442 local terms energy: -732.662614 where: bonds (distance) C4'-P energy: -154.271 bonds (distance) P-C4' energy: -146.863 flat angles C4'-P-C4' energy: -161.556 flat angles P-C4'-P energy: -106.410 tors. eta vs tors. theta energy: -163.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1993.734093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.734093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.734093 (E_RNA) where: Base-Base interactions energy: -1295.454 where: short stacking energy: -587.887 Base-Backbone interact. energy: -1.522 local terms energy: -696.758908 where: bonds (distance) C4'-P energy: -150.921 bonds (distance) P-C4' energy: -137.673 flat angles C4'-P-C4' energy: -154.427 flat angles P-C4'-P energy: -116.786 tors. eta vs tors. theta energy: -136.953 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: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1788.062198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.062198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.062198 (E_RNA) where: Base-Base interactions energy: -1125.176 where: short stacking energy: -515.388 Base-Backbone interact. energy: 2.521 local terms energy: -665.407486 where: bonds (distance) C4'-P energy: -139.418 bonds (distance) P-C4' energy: -150.166 flat angles C4'-P-C4' energy: -152.528 flat angles P-C4'-P energy: -93.639 tors. eta vs tors. theta energy: -129.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1422.830706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.830706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.830706 (E_RNA) where: Base-Base interactions energy: -872.879 where: short stacking energy: -389.876 Base-Backbone interact. energy: -0.111 local terms energy: -549.840126 where: bonds (distance) C4'-P energy: -132.530 bonds (distance) P-C4' energy: -144.884 flat angles C4'-P-C4' energy: -119.418 flat angles P-C4'-P energy: -101.070 tors. eta vs tors. theta energy: -51.938 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: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -908.734743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.734743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.734743 (E_RNA) where: Base-Base interactions energy: -468.333 where: short stacking energy: -244.306 Base-Backbone interact. energy: -3.551 local terms energy: -436.850669 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -128.793 flat angles C4'-P-C4' energy: -129.229 flat angles P-C4'-P energy: -70.616 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: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -745.667419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.667419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.667419 (E_RNA) where: Base-Base interactions energy: -343.562 where: short stacking energy: -196.380 Base-Backbone interact. energy: 3.294 local terms energy: -405.399337 where: bonds (distance) C4'-P energy: -131.974 bonds (distance) P-C4' energy: -140.755 flat angles C4'-P-C4' energy: -76.140 flat angles P-C4'-P energy: -75.476 tors. eta vs tors. theta energy: 18.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2843.327131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.327131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.327131 (E_RNA) where: Base-Base interactions energy: -1930.383 where: short stacking energy: -837.649 Base-Backbone interact. energy: -4.118 local terms energy: -908.825950 where: bonds (distance) C4'-P energy: -160.422 bonds (distance) P-C4' energy: -185.938 flat angles C4'-P-C4' energy: -187.922 flat angles P-C4'-P energy: -125.974 tors. eta vs tors. theta energy: -248.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2688.247083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.247083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.247083 (E_RNA) where: Base-Base interactions energy: -1822.051 where: short stacking energy: -808.181 Base-Backbone interact. energy: -4.279 local terms energy: -861.917246 where: bonds (distance) C4'-P energy: -159.054 bonds (distance) P-C4' energy: -166.320 flat angles C4'-P-C4' energy: -176.110 flat angles P-C4'-P energy: -124.679 tors. eta vs tors. theta energy: -235.755 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: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2447.351682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.351682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.351682 (E_RNA) where: Base-Base interactions energy: -1668.697 where: short stacking energy: -728.203 Base-Backbone interact. energy: 0.876 local terms energy: -779.530231 where: bonds (distance) C4'-P energy: -147.581 bonds (distance) P-C4' energy: -146.975 flat angles C4'-P-C4' energy: -159.360 flat angles P-C4'-P energy: -117.946 tors. eta vs tors. theta energy: -207.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2433.250453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.250453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.250453 (E_RNA) where: Base-Base interactions energy: -1637.596 where: short stacking energy: -712.492 Base-Backbone interact. energy: 3.203 local terms energy: -798.857843 where: bonds (distance) C4'-P energy: -149.248 bonds (distance) P-C4' energy: -156.602 flat angles C4'-P-C4' energy: -173.300 flat angles P-C4'-P energy: -113.963 tors. eta vs tors. theta energy: -205.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2152.399603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.399603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.399603 (E_RNA) where: Base-Base interactions energy: -1458.130 where: short stacking energy: -637.905 Base-Backbone interact. energy: -1.153 local terms energy: -693.116527 where: bonds (distance) C4'-P energy: -149.808 bonds (distance) P-C4' energy: -134.276 flat angles C4'-P-C4' energy: -159.497 flat angles P-C4'-P energy: -85.229 tors. eta vs tors. theta energy: -164.306 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: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1946.905065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.905065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.905065 (E_RNA) where: Base-Base interactions energy: -1275.142 where: short stacking energy: -557.033 Base-Backbone interact. energy: -2.226 local terms energy: -669.537803 where: bonds (distance) C4'-P energy: -141.430 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -147.556 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: 3 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1691.334545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.334545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.334545 (E_RNA) where: Base-Base interactions energy: -1052.407 where: short stacking energy: -489.972 Base-Backbone interact. energy: -2.760 local terms energy: -636.167365 where: bonds (distance) C4'-P energy: -147.273 bonds (distance) P-C4' energy: -135.475 flat angles C4'-P-C4' energy: -146.040 flat angles P-C4'-P energy: -100.020 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: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1384.248520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.248520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.248520 (E_RNA) where: Base-Base interactions energy: -848.946 where: short stacking energy: -414.442 Base-Backbone interact. energy: -4.130 local terms energy: -531.172662 where: bonds (distance) C4'-P energy: -132.088 bonds (distance) P-C4' energy: -126.447 flat angles C4'-P-C4' energy: -133.479 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -64.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -952.307078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.307078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.307078 (E_RNA) where: Base-Base interactions energy: -456.865 where: short stacking energy: -256.671 Base-Backbone interact. energy: 3.174 local terms energy: -498.616067 where: bonds (distance) C4'-P energy: -147.023 bonds (distance) P-C4' energy: -145.790 flat angles C4'-P-C4' energy: -114.673 flat angles P-C4'-P energy: -75.840 tors. eta vs tors. theta energy: -15.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -797.737903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.737903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.737903 (E_RNA) where: Base-Base interactions energy: -374.320 where: short stacking energy: -216.215 Base-Backbone interact. energy: -0.701 local terms energy: -422.716857 where: bonds (distance) C4'-P energy: -124.200 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -107.001 flat angles P-C4'-P energy: -57.245 tors. eta vs tors. theta energy: 20.600 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: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2868.725967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.725967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.725967 (E_RNA) where: Base-Base interactions energy: -1964.071 where: short stacking energy: -843.899 Base-Backbone interact. energy: -5.281 local terms energy: -899.374417 where: bonds (distance) C4'-P energy: -153.649 bonds (distance) P-C4' energy: -168.551 flat angles C4'-P-C4' energy: -200.847 flat angles P-C4'-P energy: -118.160 tors. eta vs tors. theta energy: -258.169 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: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2694.223427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.223427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.223427 (E_RNA) where: Base-Base interactions energy: -1816.159 where: short stacking energy: -800.149 Base-Backbone interact. energy: -3.758 local terms energy: -874.305703 where: bonds (distance) C4'-P energy: -165.387 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -186.572 flat angles P-C4'-P energy: -128.554 tors. eta vs tors. theta energy: -237.074 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: 144 Temperature: 1.000000 Total energy: -2561.694900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.694900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.694900 (E_RNA) where: Base-Base interactions energy: -1752.513 where: short stacking energy: -759.145 Base-Backbone interact. energy: -1.065 local terms energy: -808.116386 where: bonds (distance) C4'-P energy: -158.331 bonds (distance) P-C4' energy: -155.178 flat angles C4'-P-C4' energy: -181.831 flat angles P-C4'-P energy: -108.978 tors. eta vs tors. theta energy: -203.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2408.077317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.077317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.077317 (E_RNA) where: Base-Base interactions energy: -1616.596 where: short stacking energy: -709.620 Base-Backbone interact. energy: -2.382 local terms energy: -789.099717 where: bonds (distance) C4'-P energy: -153.271 bonds (distance) P-C4' energy: -151.018 flat angles C4'-P-C4' energy: -168.232 flat angles P-C4'-P energy: -105.014 tors. eta vs tors. theta energy: -211.564 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: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2105.373646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.373646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.373646 (E_RNA) where: Base-Base interactions energy: -1416.862 where: short stacking energy: -604.120 Base-Backbone interact. energy: -2.649 local terms energy: -685.862353 where: bonds (distance) C4'-P energy: -126.957 bonds (distance) P-C4' energy: -137.095 flat angles C4'-P-C4' energy: -177.311 flat angles P-C4'-P energy: -98.919 tors. eta vs tors. theta energy: -145.580 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: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1961.952213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.952213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.952213 (E_RNA) where: Base-Base interactions energy: -1279.458 where: short stacking energy: -586.887 Base-Backbone interact. energy: -5.255 local terms energy: -677.238873 where: bonds (distance) C4'-P energy: -137.710 bonds (distance) P-C4' energy: -131.585 flat angles C4'-P-C4' energy: -164.341 flat angles P-C4'-P energy: -103.108 tors. eta vs tors. theta energy: -140.495 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: 3 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1616.655236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.655236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.655236 (E_RNA) where: Base-Base interactions energy: -984.697 where: short stacking energy: -473.508 Base-Backbone interact. energy: -3.465 local terms energy: -628.492350 where: bonds (distance) C4'-P energy: -149.040 bonds (distance) P-C4' energy: -131.664 flat angles C4'-P-C4' energy: -146.606 flat angles P-C4'-P energy: -97.187 tors. eta vs tors. theta energy: -103.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1462.560490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.560490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.560490 (E_RNA) where: Base-Base interactions energy: -934.411 where: short stacking energy: -443.129 Base-Backbone interact. energy: 0.950 local terms energy: -529.099029 where: bonds (distance) C4'-P energy: -116.161 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -141.571 flat angles P-C4'-P energy: -91.354 tors. eta vs tors. theta energy: -55.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -931.508560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.508560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.508560 (E_RNA) where: Base-Base interactions energy: -499.116 where: short stacking energy: -302.720 Base-Backbone interact. energy: -1.639 local terms energy: -430.753480 where: bonds (distance) C4'-P energy: -129.081 bonds (distance) P-C4' energy: -128.668 flat angles C4'-P-C4' energy: -94.690 flat angles P-C4'-P energy: -77.022 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -753.581758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.581758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.581758 (E_RNA) where: Base-Base interactions energy: -328.546 where: short stacking energy: -199.435 Base-Backbone interact. energy: 2.992 local terms energy: -428.027231 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -114.162 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: 19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2846.927848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.927848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.927848 (E_RNA) where: Base-Base interactions energy: -1980.326 where: short stacking energy: -855.156 Base-Backbone interact. energy: -1.869 local terms energy: -864.732761 where: bonds (distance) C4'-P energy: -163.802 bonds (distance) P-C4' energy: -134.533 flat angles C4'-P-C4' energy: -183.148 flat angles P-C4'-P energy: -131.238 tors. eta vs tors. theta energy: -252.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2695.519236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.519236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.519236 (E_RNA) where: Base-Base interactions energy: -1837.716 where: short stacking energy: -783.305 Base-Backbone interact. energy: -4.833 local terms energy: -852.969585 where: bonds (distance) C4'-P energy: -157.506 bonds (distance) P-C4' energy: -162.066 flat angles C4'-P-C4' energy: -179.111 flat angles P-C4'-P energy: -115.481 tors. eta vs tors. theta energy: -238.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2507.905419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.905419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.905419 (E_RNA) where: Base-Base interactions energy: -1723.685 where: short stacking energy: -746.526 Base-Backbone interact. energy: 0.548 local terms energy: -784.768172 where: bonds (distance) C4'-P energy: -153.721 bonds (distance) P-C4' energy: -155.499 flat angles C4'-P-C4' energy: -169.017 flat angles P-C4'-P energy: -102.986 tors. eta vs tors. theta energy: -203.544 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: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2414.021128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.021128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.021128 (E_RNA) where: Base-Base interactions energy: -1639.892 where: short stacking energy: -719.088 Base-Backbone interact. energy: -4.329 local terms energy: -769.800165 where: bonds (distance) C4'-P energy: -143.023 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -185.543 flat angles P-C4'-P energy: -99.800 tors. eta vs tors. theta energy: -197.105 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: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2155.120949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.120949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.120949 (E_RNA) where: Base-Base interactions energy: -1430.809 where: short stacking energy: -609.982 Base-Backbone interact. energy: 2.095 local terms energy: -726.406546 where: bonds (distance) C4'-P energy: -145.036 bonds (distance) P-C4' energy: -134.666 flat angles C4'-P-C4' energy: -165.458 flat angles P-C4'-P energy: -102.970 tors. eta vs tors. theta energy: -178.276 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: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2032.738683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.738683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.738683 (E_RNA) where: Base-Base interactions energy: -1365.595 where: short stacking energy: -587.182 Base-Backbone interact. energy: 3.026 local terms energy: -670.170297 where: bonds (distance) C4'-P energy: -136.295 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -143.724 flat angles P-C4'-P energy: -85.849 tors. eta vs tors. theta energy: -179.289 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: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1623.282499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.282499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.282499 (E_RNA) where: Base-Base interactions energy: -980.565 where: short stacking energy: -451.296 Base-Backbone interact. energy: -0.429 local terms energy: -642.288202 where: bonds (distance) C4'-P energy: -148.149 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -133.483 flat angles P-C4'-P energy: -116.665 tors. eta vs tors. theta energy: -97.409 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: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1489.697778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.697778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.697778 (E_RNA) where: Base-Base interactions energy: -935.758 where: short stacking energy: -420.693 Base-Backbone interact. energy: 3.714 local terms energy: -557.653223 where: bonds (distance) C4'-P energy: -123.036 bonds (distance) P-C4' energy: -121.604 flat angles C4'-P-C4' energy: -150.735 flat angles P-C4'-P energy: -82.321 tors. eta vs tors. theta energy: -79.958 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: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -922.335020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.335020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.335020 (E_RNA) where: Base-Base interactions energy: -439.655 where: short stacking energy: -248.003 Base-Backbone interact. energy: 0.484 local terms energy: -483.163991 where: bonds (distance) C4'-P energy: -148.334 bonds (distance) P-C4' energy: -125.706 flat angles C4'-P-C4' energy: -142.314 flat angles P-C4'-P energy: -76.416 tors. eta vs tors. theta energy: 9.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -773.334370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.334370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.334370 (E_RNA) where: Base-Base interactions energy: -356.642 where: short stacking energy: -221.049 Base-Backbone interact. energy: 9.070 local terms energy: -425.762807 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -132.738 flat angles C4'-P-C4' energy: -91.985 flat angles P-C4'-P energy: -85.737 tors. eta vs tors. theta energy: 3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2882.622970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.622970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.622970 (E_RNA) where: Base-Base interactions energy: -1970.946 where: short stacking energy: -851.773 Base-Backbone interact. energy: 0.024 local terms energy: -911.700693 where: bonds (distance) C4'-P energy: -149.754 bonds (distance) P-C4' energy: -175.849 flat angles C4'-P-C4' energy: -189.723 flat angles P-C4'-P energy: -131.403 tors. eta vs tors. theta energy: -264.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2739.357458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.357458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.357458 (E_RNA) where: Base-Base interactions energy: -1858.832 where: short stacking energy: -780.582 Base-Backbone interact. energy: -3.008 local terms energy: -877.516651 where: bonds (distance) C4'-P energy: -158.761 bonds (distance) P-C4' energy: -172.930 flat angles C4'-P-C4' energy: -180.693 flat angles P-C4'-P energy: -124.542 tors. eta vs tors. theta energy: -240.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2535.580743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.580743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.580743 (E_RNA) where: Base-Base interactions energy: -1664.831 where: short stacking energy: -729.674 Base-Backbone interact. energy: -3.023 local terms energy: -867.726850 where: bonds (distance) C4'-P energy: -156.684 bonds (distance) P-C4' energy: -168.969 flat angles C4'-P-C4' energy: -184.040 flat angles P-C4'-P energy: -120.954 tors. eta vs tors. theta energy: -237.080 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: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2388.140987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.140987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.140987 (E_RNA) where: Base-Base interactions energy: -1623.627 where: short stacking energy: -702.614 Base-Backbone interact. energy: -2.378 local terms energy: -762.135225 where: bonds (distance) C4'-P energy: -132.487 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -165.548 flat angles P-C4'-P energy: -117.252 tors. eta vs tors. theta energy: -194.131 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: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2150.112869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.112869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.112869 (E_RNA) where: Base-Base interactions energy: -1430.293 where: short stacking energy: -583.819 Base-Backbone interact. energy: -1.706 local terms energy: -718.114638 where: bonds (distance) C4'-P energy: -138.941 bonds (distance) P-C4' energy: -162.747 flat angles C4'-P-C4' energy: -153.263 flat angles P-C4'-P energy: -111.461 tors. eta vs tors. theta energy: -151.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2002.252659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.252659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.252659 (E_RNA) where: Base-Base interactions energy: -1329.792 where: short stacking energy: -548.907 Base-Backbone interact. energy: -0.657 local terms energy: -671.803429 where: bonds (distance) C4'-P energy: -144.328 bonds (distance) P-C4' energy: -132.540 flat angles C4'-P-C4' energy: -159.184 flat angles P-C4'-P energy: -88.065 tors. eta vs tors. theta energy: -147.687 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: 3 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1673.402964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.402964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.402964 (E_RNA) where: Base-Base interactions energy: -1028.646 where: short stacking energy: -466.369 Base-Backbone interact. energy: 1.281 local terms energy: -646.038367 where: bonds (distance) C4'-P energy: -153.893 bonds (distance) P-C4' energy: -144.598 flat angles C4'-P-C4' energy: -145.571 flat angles P-C4'-P energy: -95.583 tors. eta vs tors. theta energy: -106.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1442.747571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.747571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.747571 (E_RNA) where: Base-Base interactions energy: -912.127 where: short stacking energy: -429.235 Base-Backbone interact. energy: -3.125 local terms energy: -527.495566 where: bonds (distance) C4'-P energy: -113.821 bonds (distance) P-C4' energy: -137.224 flat angles C4'-P-C4' energy: -144.173 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -79.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -947.249003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.249003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.249003 (E_RNA) where: Base-Base interactions energy: -486.181 where: short stacking energy: -295.601 Base-Backbone interact. energy: -2.169 local terms energy: -458.899113 where: bonds (distance) C4'-P energy: -133.433 bonds (distance) P-C4' energy: -119.933 flat angles C4'-P-C4' energy: -124.385 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -849.331031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.331031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.331031 (E_RNA) where: Base-Base interactions energy: -395.878 where: short stacking energy: -226.048 Base-Backbone interact. energy: 1.406 local terms energy: -454.858826 where: bonds (distance) C4'-P energy: -131.256 bonds (distance) P-C4' energy: -120.965 flat angles C4'-P-C4' energy: -128.602 flat angles P-C4'-P energy: -81.354 tors. eta vs tors. theta energy: 7.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2850.284417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.284417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.284417 (E_RNA) where: Base-Base interactions energy: -1952.552 where: short stacking energy: -881.676 Base-Backbone interact. energy: -0.946 local terms energy: -896.785675 where: bonds (distance) C4'-P energy: -140.861 bonds (distance) P-C4' energy: -166.919 flat angles C4'-P-C4' energy: -191.768 flat angles P-C4'-P energy: -132.569 tors. eta vs tors. theta energy: -264.669 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: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2712.729446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.729446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.729446 (E_RNA) where: Base-Base interactions energy: -1853.477 where: short stacking energy: -799.050 Base-Backbone interact. energy: -3.414 local terms energy: -855.838613 where: bonds (distance) C4'-P energy: -164.476 bonds (distance) P-C4' energy: -160.454 flat angles C4'-P-C4' energy: -174.530 flat angles P-C4'-P energy: -114.434 tors. eta vs tors. theta energy: -241.944 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: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2495.306042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.306042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.306042 (E_RNA) where: Base-Base interactions energy: -1668.523 where: short stacking energy: -748.195 Base-Backbone interact. energy: 0.947 local terms energy: -827.729876 where: bonds (distance) C4'-P energy: -166.508 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -170.662 flat angles P-C4'-P energy: -126.646 tors. eta vs tors. theta energy: -213.417 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: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2412.402786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.402786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.402786 (E_RNA) where: Base-Base interactions energy: -1657.957 where: short stacking energy: -720.062 Base-Backbone interact. energy: -2.743 local terms energy: -751.703194 where: bonds (distance) C4'-P energy: -133.279 bonds (distance) P-C4' energy: -151.212 flat angles C4'-P-C4' energy: -160.578 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -202.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2197.398888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.398888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.398888 (E_RNA) where: Base-Base interactions energy: -1474.843 where: short stacking energy: -637.353 Base-Backbone interact. energy: -0.877 local terms energy: -721.679339 where: bonds (distance) C4'-P energy: -137.944 bonds (distance) P-C4' energy: -143.678 flat angles C4'-P-C4' energy: -164.362 flat angles P-C4'-P energy: -106.956 tors. eta vs tors. theta energy: -168.739 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: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1920.476538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.476538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.476538 (E_RNA) where: Base-Base interactions energy: -1254.022 where: short stacking energy: -555.486 Base-Backbone interact. energy: -0.549 local terms energy: -665.906300 where: bonds (distance) C4'-P energy: -134.953 bonds (distance) P-C4' energy: -145.501 flat angles C4'-P-C4' energy: -155.237 flat angles P-C4'-P energy: -96.072 tors. eta vs tors. theta energy: -134.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1658.812877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.812877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.812877 (E_RNA) where: Base-Base interactions energy: -1032.610 where: short stacking energy: -479.997 Base-Backbone interact. energy: 4.945 local terms energy: -631.147721 where: bonds (distance) C4'-P energy: -133.378 bonds (distance) P-C4' energy: -150.099 flat angles C4'-P-C4' energy: -146.465 flat angles P-C4'-P energy: -99.333 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: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1474.364271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.364271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.364271 (E_RNA) where: Base-Base interactions energy: -916.209 where: short stacking energy: -435.577 Base-Backbone interact. energy: -0.166 local terms energy: -557.989399 where: bonds (distance) C4'-P energy: -121.589 bonds (distance) P-C4' energy: -129.891 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -68.997 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: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -961.409959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.409959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.409959 (E_RNA) where: Base-Base interactions energy: -465.286 where: short stacking energy: -254.709 Base-Backbone interact. energy: -3.186 local terms energy: -492.937529 where: bonds (distance) C4'-P energy: -137.063 bonds (distance) P-C4' energy: -134.904 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -71.529 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -865.665324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.665324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.665324 (E_RNA) where: Base-Base interactions energy: -407.137 where: short stacking energy: -214.515 Base-Backbone interact. energy: -0.680 local terms energy: -457.848847 where: bonds (distance) C4'-P energy: -131.165 bonds (distance) P-C4' energy: -123.635 flat angles C4'-P-C4' energy: -137.661 flat angles P-C4'-P energy: -77.189 tors. eta vs tors. theta energy: 11.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2831.783171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.783171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.783171 (E_RNA) where: Base-Base interactions energy: -1908.713 where: short stacking energy: -836.834 Base-Backbone interact. energy: -5.769 local terms energy: -917.300754 where: bonds (distance) C4'-P energy: -176.706 bonds (distance) P-C4' energy: -172.845 flat angles C4'-P-C4' energy: -188.782 flat angles P-C4'-P energy: -124.150 tors. eta vs tors. theta energy: -254.818 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: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2727.662540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.662540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.662540 (E_RNA) where: Base-Base interactions energy: -1844.740 where: short stacking energy: -785.225 Base-Backbone interact. energy: -6.611 local terms energy: -876.310872 where: bonds (distance) C4'-P energy: -155.061 bonds (distance) P-C4' energy: -159.329 flat angles C4'-P-C4' energy: -185.065 flat angles P-C4'-P energy: -138.733 tors. eta vs tors. theta energy: -238.123 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: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2469.876661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.876661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.876661 (E_RNA) where: Base-Base interactions energy: -1653.925 where: short stacking energy: -707.783 Base-Backbone interact. energy: -6.044 local terms energy: -809.908373 where: bonds (distance) C4'-P energy: -144.246 bonds (distance) P-C4' energy: -167.846 flat angles C4'-P-C4' energy: -182.211 flat angles P-C4'-P energy: -113.000 tors. eta vs tors. theta energy: -202.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2395.379881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.379881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.379881 (E_RNA) where: Base-Base interactions energy: -1612.891 where: short stacking energy: -686.185 Base-Backbone interact. energy: -4.573 local terms energy: -777.915941 where: bonds (distance) C4'-P energy: -153.558 bonds (distance) P-C4' energy: -156.400 flat angles C4'-P-C4' energy: -167.920 flat angles P-C4'-P energy: -111.358 tors. eta vs tors. theta energy: -188.680 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: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2117.601595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.601595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.601595 (E_RNA) where: Base-Base interactions energy: -1416.858 where: short stacking energy: -619.779 Base-Backbone interact. energy: -1.887 local terms energy: -698.856417 where: bonds (distance) C4'-P energy: -135.712 bonds (distance) P-C4' energy: -164.067 flat angles C4'-P-C4' energy: -143.221 flat angles P-C4'-P energy: -97.147 tors. eta vs tors. theta energy: -158.708 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: 148 Temperature: 1.150000 Total energy: -1936.560598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.560598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.560598 (E_RNA) where: Base-Base interactions energy: -1255.959 where: short stacking energy: -547.693 Base-Backbone interact. energy: 0.907 local terms energy: -681.509288 where: bonds (distance) C4'-P energy: -136.076 bonds (distance) P-C4' energy: -153.235 flat angles C4'-P-C4' energy: -165.413 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -127.823 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: 3 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1693.195325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.195325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.195325 (E_RNA) where: Base-Base interactions energy: -1056.142 where: short stacking energy: -491.490 Base-Backbone interact. energy: -1.815 local terms energy: -635.238845 where: bonds (distance) C4'-P energy: -138.180 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -144.544 flat angles P-C4'-P energy: -93.461 tors. eta vs tors. theta energy: -114.568 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: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1525.155773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.155773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.155773 (E_RNA) where: Base-Base interactions energy: -920.330 where: short stacking energy: -421.783 Base-Backbone interact. energy: -0.739 local terms energy: -604.086798 where: bonds (distance) C4'-P energy: -156.435 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -141.594 flat angles P-C4'-P energy: -83.430 tors. eta vs tors. theta energy: -83.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1030.389875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.389875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.389875 (E_RNA) where: Base-Base interactions energy: -540.042 where: short stacking energy: -274.790 Base-Backbone interact. energy: -1.604 local terms energy: -488.743693 where: bonds (distance) C4'-P energy: -137.890 bonds (distance) P-C4' energy: -126.066 flat angles C4'-P-C4' energy: -124.995 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -23.792 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -878.748389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.748389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.748389 (E_RNA) where: Base-Base interactions energy: -451.197 where: short stacking energy: -216.950 Base-Backbone interact. energy: -3.909 local terms energy: -423.641690 where: bonds (distance) C4'-P energy: -129.868 bonds (distance) P-C4' energy: -137.642 flat angles C4'-P-C4' energy: -91.727 flat angles P-C4'-P energy: -68.648 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: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2834.732183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.732183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.732183 (E_RNA) where: Base-Base interactions energy: -1934.065 where: short stacking energy: -870.529 Base-Backbone interact. energy: -5.987 local terms energy: -894.680227 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -173.947 flat angles C4'-P-C4' energy: -196.674 flat angles P-C4'-P energy: -114.323 tors. eta vs tors. theta energy: -259.818 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: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2699.241759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.241759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.241759 (E_RNA) where: Base-Base interactions energy: -1827.947 where: short stacking energy: -776.014 Base-Backbone interact. energy: -1.552 local terms energy: -869.743554 where: bonds (distance) C4'-P energy: -156.446 bonds (distance) P-C4' energy: -174.024 flat angles C4'-P-C4' energy: -184.099 flat angles P-C4'-P energy: -128.674 tors. eta vs tors. theta energy: -226.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2533.136094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.136094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.136094 (E_RNA) where: Base-Base interactions energy: -1743.467 where: short stacking energy: -741.416 Base-Backbone interact. energy: -1.293 local terms energy: -788.375763 where: bonds (distance) C4'-P energy: -149.584 bonds (distance) P-C4' energy: -143.834 flat angles C4'-P-C4' energy: -181.740 flat angles P-C4'-P energy: -116.766 tors. eta vs tors. theta energy: -196.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2382.085450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.085450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.085450 (E_RNA) where: Base-Base interactions energy: -1591.594 where: short stacking energy: -657.986 Base-Backbone interact. energy: 4.862 local terms energy: -795.354124 where: bonds (distance) C4'-P energy: -143.698 bonds (distance) P-C4' energy: -165.178 flat angles C4'-P-C4' energy: -182.937 flat angles P-C4'-P energy: -118.398 tors. eta vs tors. theta energy: -185.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2122.148555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.148555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.148555 (E_RNA) where: Base-Base interactions energy: -1420.046 where: short stacking energy: -622.983 Base-Backbone interact. energy: 0.253 local terms energy: -702.355240 where: bonds (distance) C4'-P energy: -157.404 bonds (distance) P-C4' energy: -154.840 flat angles C4'-P-C4' energy: -149.475 flat angles P-C4'-P energy: -82.590 tors. eta vs tors. theta energy: -158.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1896.600346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.600346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.600346 (E_RNA) where: Base-Base interactions energy: -1275.022 where: short stacking energy: -538.778 Base-Backbone interact. energy: -2.349 local terms energy: -619.230217 where: bonds (distance) C4'-P energy: -119.336 bonds (distance) P-C4' energy: -142.803 flat angles C4'-P-C4' energy: -151.630 flat angles P-C4'-P energy: -92.165 tors. eta vs tors. theta energy: -113.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1635.308410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.308410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.308410 (E_RNA) where: Base-Base interactions energy: -1045.676 where: short stacking energy: -476.512 Base-Backbone interact. energy: -2.474 local terms energy: -587.158371 where: bonds (distance) C4'-P energy: -131.191 bonds (distance) P-C4' energy: -138.068 flat angles C4'-P-C4' energy: -151.956 flat angles P-C4'-P energy: -74.604 tors. eta vs tors. theta energy: -91.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1493.398565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.398565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.398565 (E_RNA) where: Base-Base interactions energy: -942.159 where: short stacking energy: -443.257 Base-Backbone interact. energy: 5.189 local terms energy: -556.429145 where: bonds (distance) C4'-P energy: -147.015 bonds (distance) P-C4' energy: -125.119 flat angles C4'-P-C4' energy: -130.287 flat angles P-C4'-P energy: -82.478 tors. eta vs tors. theta energy: -71.529 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: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1034.417887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.417887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.417887 (E_RNA) where: Base-Base interactions energy: -543.105 where: short stacking energy: -272.066 Base-Backbone interact. energy: -3.638 local terms energy: -487.674865 where: bonds (distance) C4'-P energy: -150.302 bonds (distance) P-C4' energy: -135.304 flat angles C4'-P-C4' energy: -121.185 flat angles P-C4'-P energy: -74.993 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -810.456462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.456462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.456462 (E_RNA) where: Base-Base interactions energy: -399.409 where: short stacking energy: -238.790 Base-Backbone interact. energy: -3.137 local terms energy: -407.910400 where: bonds (distance) C4'-P energy: -122.627 bonds (distance) P-C4' energy: -115.644 flat angles C4'-P-C4' energy: -120.819 flat angles P-C4'-P energy: -54.016 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: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2849.882508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.882508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.882508 (E_RNA) where: Base-Base interactions energy: -1930.003 where: short stacking energy: -867.998 Base-Backbone interact. energy: -3.852 local terms energy: -916.027432 where: bonds (distance) C4'-P energy: -170.813 bonds (distance) P-C4' energy: -166.139 flat angles C4'-P-C4' energy: -195.261 flat angles P-C4'-P energy: -126.044 tors. eta vs tors. theta energy: -257.771 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: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2703.468807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.468807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.468807 (E_RNA) where: Base-Base interactions energy: -1858.666 where: short stacking energy: -795.395 Base-Backbone interact. energy: -7.144 local terms energy: -837.659734 where: bonds (distance) C4'-P energy: -157.281 bonds (distance) P-C4' energy: -140.009 flat angles C4'-P-C4' energy: -199.845 flat angles P-C4'-P energy: -113.518 tors. eta vs tors. theta energy: -227.007 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: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2540.545936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.545936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.545936 (E_RNA) where: Base-Base interactions energy: -1724.335 where: short stacking energy: -763.807 Base-Backbone interact. energy: 0.088 local terms energy: -816.298381 where: bonds (distance) C4'-P energy: -164.477 bonds (distance) P-C4' energy: -167.620 flat angles C4'-P-C4' energy: -164.112 flat angles P-C4'-P energy: -100.297 tors. eta vs tors. theta energy: -219.793 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: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2367.527838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.527838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.527838 (E_RNA) where: Base-Base interactions energy: -1601.481 where: short stacking energy: -681.311 Base-Backbone interact. energy: -2.499 local terms energy: -763.548030 where: bonds (distance) C4'-P energy: -135.009 bonds (distance) P-C4' energy: -165.848 flat angles C4'-P-C4' energy: -179.351 flat angles P-C4'-P energy: -91.104 tors. eta vs tors. theta energy: -192.237 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: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2169.229222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.229222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.229222 (E_RNA) where: Base-Base interactions energy: -1434.550 where: short stacking energy: -632.119 Base-Backbone interact. energy: -3.083 local terms energy: -731.597048 where: bonds (distance) C4'-P energy: -153.837 bonds (distance) P-C4' energy: -154.695 flat angles C4'-P-C4' energy: -155.692 flat angles P-C4'-P energy: -109.922 tors. eta vs tors. theta energy: -157.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1887.105014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.105014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.105014 (E_RNA) where: Base-Base interactions energy: -1205.112 where: short stacking energy: -538.161 Base-Backbone interact. energy: -4.996 local terms energy: -676.997266 where: bonds (distance) C4'-P energy: -129.446 bonds (distance) P-C4' energy: -150.195 flat angles C4'-P-C4' energy: -161.970 flat angles P-C4'-P energy: -103.778 tors. eta vs tors. theta energy: -131.609 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: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1740.437413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.437413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.437413 (E_RNA) where: Base-Base interactions energy: -1074.911 where: short stacking energy: -521.013 Base-Backbone interact. energy: -3.142 local terms energy: -662.383675 where: bonds (distance) C4'-P energy: -137.512 bonds (distance) P-C4' energy: -160.475 flat angles C4'-P-C4' energy: -146.446 flat angles P-C4'-P energy: -100.424 tors. eta vs tors. theta energy: -117.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1472.763320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.763320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.763320 (E_RNA) where: Base-Base interactions energy: -869.919 where: short stacking energy: -423.063 Base-Backbone interact. energy: -0.800 local terms energy: -602.044133 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -142.084 flat angles C4'-P-C4' energy: -141.722 flat angles P-C4'-P energy: -84.254 tors. eta vs tors. theta energy: -103.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -987.922738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.922738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.922738 (E_RNA) where: Base-Base interactions energy: -495.851 where: short stacking energy: -282.368 Base-Backbone interact. energy: 1.291 local terms energy: -493.362672 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -136.373 flat angles C4'-P-C4' energy: -138.568 flat angles P-C4'-P energy: -61.541 tors. eta vs tors. theta energy: -28.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -810.639416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.639416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.639416 (E_RNA) where: Base-Base interactions energy: -394.451 where: short stacking energy: -228.570 Base-Backbone interact. energy: -1.438 local terms energy: -414.749643 where: bonds (distance) C4'-P energy: -137.555 bonds (distance) P-C4' energy: -138.587 flat angles C4'-P-C4' energy: -92.720 flat angles P-C4'-P energy: -62.452 tors. eta vs tors. theta energy: 16.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2863.264335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.264335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.264335 (E_RNA) where: Base-Base interactions energy: -1964.832 where: short stacking energy: -850.271 Base-Backbone interact. energy: -2.315 local terms energy: -896.117584 where: bonds (distance) C4'-P energy: -165.372 bonds (distance) P-C4' energy: -159.108 flat angles C4'-P-C4' energy: -188.257 flat angles P-C4'-P energy: -138.013 tors. eta vs tors. theta energy: -245.368 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: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2676.659148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.659148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.659148 (E_RNA) where: Base-Base interactions energy: -1808.977 where: short stacking energy: -785.050 Base-Backbone interact. energy: -5.968 local terms energy: -861.714642 where: bonds (distance) C4'-P energy: -162.585 bonds (distance) P-C4' energy: -155.912 flat angles C4'-P-C4' energy: -179.299 flat angles P-C4'-P energy: -126.580 tors. eta vs tors. theta energy: -237.338 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2569.644845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.644845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.644845 (E_RNA) where: Base-Base interactions energy: -1744.592 where: short stacking energy: -770.888 Base-Backbone interact. energy: 3.485 local terms energy: -828.537701 where: bonds (distance) C4'-P energy: -144.502 bonds (distance) P-C4' energy: -149.149 flat angles C4'-P-C4' energy: -171.943 flat angles P-C4'-P energy: -136.809 tors. eta vs tors. theta energy: -226.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2414.407931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.407931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.407931 (E_RNA) where: Base-Base interactions energy: -1612.155 where: short stacking energy: -713.511 Base-Backbone interact. energy: 1.437 local terms energy: -803.690356 where: bonds (distance) C4'-P energy: -149.302 bonds (distance) P-C4' energy: -171.039 flat angles C4'-P-C4' energy: -173.641 flat angles P-C4'-P energy: -117.549 tors. eta vs tors. theta energy: -192.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2223.776556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.776556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.776556 (E_RNA) where: Base-Base interactions energy: -1505.864 where: short stacking energy: -647.821 Base-Backbone interact. energy: 0.007 local terms energy: -717.919684 where: bonds (distance) C4'-P energy: -146.139 bonds (distance) P-C4' energy: -136.328 flat angles C4'-P-C4' energy: -158.015 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -167.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1931.455690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.455690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.455690 (E_RNA) where: Base-Base interactions energy: -1253.471 where: short stacking energy: -551.287 Base-Backbone interact. energy: -2.838 local terms energy: -675.146474 where: bonds (distance) C4'-P energy: -140.990 bonds (distance) P-C4' energy: -140.887 flat angles C4'-P-C4' energy: -162.458 flat angles P-C4'-P energy: -89.268 tors. eta vs tors. theta energy: -141.543 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: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1737.456616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.456616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.456616 (E_RNA) where: Base-Base interactions energy: -1089.807 where: short stacking energy: -490.538 Base-Backbone interact. energy: -2.156 local terms energy: -645.493735 where: bonds (distance) C4'-P energy: -129.298 bonds (distance) P-C4' energy: -157.740 flat angles C4'-P-C4' energy: -161.615 flat angles P-C4'-P energy: -81.598 tors. eta vs tors. theta energy: -115.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1493.608088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.608088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.608088 (E_RNA) where: Base-Base interactions energy: -952.861 where: short stacking energy: -430.554 Base-Backbone interact. energy: 0.328 local terms energy: -541.075456 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -137.697 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -64.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -941.083933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.083933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.083933 (E_RNA) where: Base-Base interactions energy: -481.560 where: short stacking energy: -258.925 Base-Backbone interact. energy: -1.081 local terms energy: -458.442584 where: bonds (distance) C4'-P energy: -134.183 bonds (distance) P-C4' energy: -140.379 flat angles C4'-P-C4' energy: -118.145 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: 12.696 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: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -776.084245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.084245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.084245 (E_RNA) where: Base-Base interactions energy: -337.626 where: short stacking energy: -202.567 Base-Backbone interact. energy: -0.067 local terms energy: -438.391112 where: bonds (distance) C4'-P energy: -145.826 bonds (distance) P-C4' energy: -145.773 flat angles C4'-P-C4' energy: -113.545 flat angles P-C4'-P energy: -53.074 tors. eta vs tors. theta energy: 19.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2853.989450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.989450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.989450 (E_RNA) where: Base-Base interactions energy: -1935.570 where: short stacking energy: -848.540 Base-Backbone interact. energy: -4.119 local terms energy: -914.300377 where: bonds (distance) C4'-P energy: -169.018 bonds (distance) P-C4' energy: -160.713 flat angles C4'-P-C4' energy: -194.804 flat angles P-C4'-P energy: -137.737 tors. eta vs tors. theta energy: -252.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2686.755470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.755470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.755470 (E_RNA) where: Base-Base interactions energy: -1847.018 where: short stacking energy: -797.435 Base-Backbone interact. energy: -3.764 local terms energy: -835.973459 where: bonds (distance) C4'-P energy: -150.529 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -184.135 flat angles P-C4'-P energy: -112.207 tors. eta vs tors. theta energy: -234.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2548.100012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.100012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.100012 (E_RNA) where: Base-Base interactions energy: -1704.976 where: short stacking energy: -747.644 Base-Backbone interact. energy: 1.755 local terms energy: -844.878673 where: bonds (distance) C4'-P energy: -155.368 bonds (distance) P-C4' energy: -173.534 flat angles C4'-P-C4' energy: -182.945 flat angles P-C4'-P energy: -106.082 tors. eta vs tors. theta energy: -226.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2421.613955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.613955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.613955 (E_RNA) where: Base-Base interactions energy: -1623.129 where: short stacking energy: -701.413 Base-Backbone interact. energy: -0.698 local terms energy: -797.786697 where: bonds (distance) C4'-P energy: -155.058 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -180.461 flat angles P-C4'-P energy: -121.617 tors. eta vs tors. theta energy: -190.080 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2207.340912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.340912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.340912 (E_RNA) where: Base-Base interactions energy: -1462.966 where: short stacking energy: -601.606 Base-Backbone interact. energy: -5.540 local terms energy: -738.834226 where: bonds (distance) C4'-P energy: -137.457 bonds (distance) P-C4' energy: -153.616 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -118.144 tors. eta vs tors. theta energy: -172.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1930.697415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.697415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.697415 (E_RNA) where: Base-Base interactions energy: -1241.411 where: short stacking energy: -572.324 Base-Backbone interact. energy: -2.255 local terms energy: -687.031152 where: bonds (distance) C4'-P energy: -147.251 bonds (distance) P-C4' energy: -152.404 flat angles C4'-P-C4' energy: -153.548 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -147.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1769.724826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.724826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.724826 (E_RNA) where: Base-Base interactions energy: -1134.594 where: short stacking energy: -522.462 Base-Backbone interact. energy: -1.890 local terms energy: -633.241235 where: bonds (distance) C4'-P energy: -134.817 bonds (distance) P-C4' energy: -149.774 flat angles C4'-P-C4' energy: -134.505 flat angles P-C4'-P energy: -83.238 tors. eta vs tors. theta energy: -130.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1494.701655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.701655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.701655 (E_RNA) where: Base-Base interactions energy: -930.209 where: short stacking energy: -433.273 Base-Backbone interact. energy: -2.506 local terms energy: -561.985714 where: bonds (distance) C4'-P energy: -138.968 bonds (distance) P-C4' energy: -125.290 flat angles C4'-P-C4' energy: -139.973 flat angles P-C4'-P energy: -84.386 tors. eta vs tors. theta energy: -73.369 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: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -930.827941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.827941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.827941 (E_RNA) where: Base-Base interactions energy: -480.707 where: short stacking energy: -264.725 Base-Backbone interact. energy: 0.838 local terms energy: -450.959625 where: bonds (distance) C4'-P energy: -137.217 bonds (distance) P-C4' energy: -142.810 flat angles C4'-P-C4' energy: -116.092 flat angles P-C4'-P energy: -53.396 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: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -797.179318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.179318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.179318 (E_RNA) where: Base-Base interactions energy: -398.977 where: short stacking energy: -170.592 Base-Backbone interact. energy: 5.988 local terms energy: -404.191120 where: bonds (distance) C4'-P energy: -107.756 bonds (distance) P-C4' energy: -124.952 flat angles C4'-P-C4' energy: -128.661 flat angles P-C4'-P energy: -75.097 tors. eta vs tors. theta energy: 32.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2873.618183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.618183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.618183 (E_RNA) where: Base-Base interactions energy: -1968.676 where: short stacking energy: -870.780 Base-Backbone interact. energy: -2.699 local terms energy: -902.244075 where: bonds (distance) C4'-P energy: -160.278 bonds (distance) P-C4' energy: -168.085 flat angles C4'-P-C4' energy: -190.047 flat angles P-C4'-P energy: -128.289 tors. eta vs tors. theta energy: -255.546 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: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2747.777521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.777521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.777521 (E_RNA) where: Base-Base interactions energy: -1892.815 where: short stacking energy: -794.411 Base-Backbone interact. energy: -7.390 local terms energy: -847.571845 where: bonds (distance) C4'-P energy: -151.389 bonds (distance) P-C4' energy: -146.702 flat angles C4'-P-C4' energy: -189.594 flat angles P-C4'-P energy: -113.046 tors. eta vs tors. theta energy: -246.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2572.928281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.928281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.928281 (E_RNA) where: Base-Base interactions energy: -1749.762 where: short stacking energy: -750.403 Base-Backbone interact. energy: 4.361 local terms energy: -827.527990 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -173.138 flat angles C4'-P-C4' energy: -170.647 flat angles P-C4'-P energy: -113.292 tors. eta vs tors. theta energy: -222.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2426.806814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.806814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.806814 (E_RNA) where: Base-Base interactions energy: -1640.420 where: short stacking energy: -705.318 Base-Backbone interact. energy: 0.556 local terms energy: -786.942361 where: bonds (distance) C4'-P energy: -144.382 bonds (distance) P-C4' energy: -132.325 flat angles C4'-P-C4' energy: -174.711 flat angles P-C4'-P energy: -133.150 tors. eta vs tors. theta energy: -202.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2236.730370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.730370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.730370 (E_RNA) where: Base-Base interactions energy: -1538.467 where: short stacking energy: -657.907 Base-Backbone interact. energy: 0.846 local terms energy: -699.109593 where: bonds (distance) C4'-P energy: -137.013 bonds (distance) P-C4' energy: -134.935 flat angles C4'-P-C4' energy: -165.172 flat angles P-C4'-P energy: -95.224 tors. eta vs tors. theta energy: -166.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1980.449511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.449511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.449511 (E_RNA) where: Base-Base interactions energy: -1311.927 where: short stacking energy: -535.499 Base-Backbone interact. energy: 2.323 local terms energy: -670.845680 where: bonds (distance) C4'-P energy: -150.261 bonds (distance) P-C4' energy: -132.079 flat angles C4'-P-C4' energy: -161.048 flat angles P-C4'-P energy: -83.766 tors. eta vs tors. theta energy: -143.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1801.926217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.926217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.926217 (E_RNA) where: Base-Base interactions energy: -1149.474 where: short stacking energy: -522.413 Base-Backbone interact. energy: 0.224 local terms energy: -652.676390 where: bonds (distance) C4'-P energy: -152.434 bonds (distance) P-C4' energy: -148.335 flat angles C4'-P-C4' energy: -129.516 flat angles P-C4'-P energy: -100.071 tors. eta vs tors. theta energy: -122.321 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: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1480.480864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.480864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.480864 (E_RNA) where: Base-Base interactions energy: -871.006 where: short stacking energy: -425.134 Base-Backbone interact. energy: -2.770 local terms energy: -606.704534 where: bonds (distance) C4'-P energy: -136.434 bonds (distance) P-C4' energy: -150.680 flat angles C4'-P-C4' energy: -145.699 flat angles P-C4'-P energy: -93.376 tors. eta vs tors. theta energy: -80.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -936.363535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.363535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.363535 (E_RNA) where: Base-Base interactions energy: -445.350 where: short stacking energy: -241.969 Base-Backbone interact. energy: -4.478 local terms energy: -486.534844 where: bonds (distance) C4'-P energy: -152.157 bonds (distance) P-C4' energy: -141.387 flat angles C4'-P-C4' energy: -122.431 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: 2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -795.507750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.507750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.507750 (E_RNA) where: Base-Base interactions energy: -363.231 where: short stacking energy: -236.681 Base-Backbone interact. energy: 5.567 local terms energy: -437.843923 where: bonds (distance) C4'-P energy: -132.785 bonds (distance) P-C4' energy: -145.346 flat angles C4'-P-C4' energy: -114.700 flat angles P-C4'-P energy: -69.336 tors. eta vs tors. theta energy: 24.323 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: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2830.035406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.035406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.035406 (E_RNA) where: Base-Base interactions energy: -1945.096 where: short stacking energy: -835.030 Base-Backbone interact. energy: 0.331 local terms energy: -885.269980 where: bonds (distance) C4'-P energy: -171.075 bonds (distance) P-C4' energy: -146.757 flat angles C4'-P-C4' energy: -197.365 flat angles P-C4'-P energy: -124.852 tors. eta vs tors. theta energy: -245.221 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: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2675.801879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.801879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.801879 (E_RNA) where: Base-Base interactions energy: -1825.726 where: short stacking energy: -772.924 Base-Backbone interact. energy: -4.344 local terms energy: -845.732348 where: bonds (distance) C4'-P energy: -145.553 bonds (distance) P-C4' energy: -171.200 flat angles C4'-P-C4' energy: -173.637 flat angles P-C4'-P energy: -132.962 tors. eta vs tors. theta energy: -222.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2612.381257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.381257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.381257 (E_RNA) where: Base-Base interactions energy: -1801.142 where: short stacking energy: -764.767 Base-Backbone interact. energy: 2.575 local terms energy: -813.813887 where: bonds (distance) C4'-P energy: -155.347 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -173.615 flat angles P-C4'-P energy: -124.680 tors. eta vs tors. theta energy: -218.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2403.034882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.034882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.034882 (E_RNA) where: Base-Base interactions energy: -1620.017 where: short stacking energy: -713.833 Base-Backbone interact. energy: -7.114 local terms energy: -775.903110 where: bonds (distance) C4'-P energy: -140.817 bonds (distance) P-C4' energy: -158.409 flat angles C4'-P-C4' energy: -168.551 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -203.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2207.663776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.663776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.663776 (E_RNA) where: Base-Base interactions energy: -1503.065 where: short stacking energy: -641.780 Base-Backbone interact. energy: 1.157 local terms energy: -705.755621 where: bonds (distance) C4'-P energy: -136.862 bonds (distance) P-C4' energy: -146.745 flat angles C4'-P-C4' energy: -144.002 flat angles P-C4'-P energy: -103.327 tors. eta vs tors. theta energy: -174.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2095.680993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.680993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.680993 (E_RNA) where: Base-Base interactions energy: -1399.900 where: short stacking energy: -598.069 Base-Backbone interact. energy: 2.210 local terms energy: -697.991366 where: bonds (distance) C4'-P energy: -153.802 bonds (distance) P-C4' energy: -131.865 flat angles C4'-P-C4' energy: -164.079 flat angles P-C4'-P energy: -99.934 tors. eta vs tors. theta energy: -148.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1795.663782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.663782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.663782 (E_RNA) where: Base-Base interactions energy: -1125.770 where: short stacking energy: -483.672 Base-Backbone interact. energy: -2.801 local terms energy: -667.092550 where: bonds (distance) C4'-P energy: -156.932 bonds (distance) P-C4' energy: -145.361 flat angles C4'-P-C4' energy: -155.339 flat angles P-C4'-P energy: -96.248 tors. eta vs tors. theta energy: -113.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1470.780355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.780355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.780355 (E_RNA) where: Base-Base interactions energy: -892.813 where: short stacking energy: -410.953 Base-Backbone interact. energy: 4.898 local terms energy: -582.865220 where: bonds (distance) C4'-P energy: -135.708 bonds (distance) P-C4' energy: -141.984 flat angles C4'-P-C4' energy: -141.951 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -71.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -929.836338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.836338 (E_RNA) where: Base-Base interactions energy: -480.120 where: short stacking energy: -252.168 Base-Backbone interact. energy: -1.210 local terms energy: -448.506306 where: bonds (distance) C4'-P energy: -120.033 bonds (distance) P-C4' energy: -134.532 flat angles C4'-P-C4' energy: -101.283 flat angles P-C4'-P energy: -79.896 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -832.172391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.172391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.172391 (E_RNA) where: Base-Base interactions energy: -389.596 where: short stacking energy: -217.481 Base-Backbone interact. energy: 8.767 local terms energy: -451.343654 where: bonds (distance) C4'-P energy: -129.559 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -99.659 flat angles P-C4'-P energy: -80.779 tors. eta vs tors. theta energy: 3.271 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: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2852.185297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.185297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.185297 (E_RNA) where: Base-Base interactions energy: -1937.745 where: short stacking energy: -825.147 Base-Backbone interact. energy: -7.329 local terms energy: -907.111202 where: bonds (distance) C4'-P energy: -161.031 bonds (distance) P-C4' energy: -169.146 flat angles C4'-P-C4' energy: -193.127 flat angles P-C4'-P energy: -122.654 tors. eta vs tors. theta energy: -261.154 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: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2631.977805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.977805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.977805 (E_RNA) where: Base-Base interactions energy: -1786.059 where: short stacking energy: -809.199 Base-Backbone interact. energy: -7.662 local terms energy: -838.256864 where: bonds (distance) C4'-P energy: -155.959 bonds (distance) P-C4' energy: -159.171 flat angles C4'-P-C4' energy: -172.747 flat angles P-C4'-P energy: -123.307 tors. eta vs tors. theta energy: -227.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2670.799675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.799675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.799675 (E_RNA) where: Base-Base interactions energy: -1810.753 where: short stacking energy: -790.690 Base-Backbone interact. energy: -5.737 local terms energy: -854.310079 where: bonds (distance) C4'-P energy: -159.524 bonds (distance) P-C4' energy: -175.963 flat angles C4'-P-C4' energy: -173.309 flat angles P-C4'-P energy: -118.974 tors. eta vs tors. theta energy: -226.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2417.332370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.332370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.332370 (E_RNA) where: Base-Base interactions energy: -1607.758 where: short stacking energy: -694.178 Base-Backbone interact. energy: -5.675 local terms energy: -803.898726 where: bonds (distance) C4'-P energy: -168.920 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -179.799 flat angles P-C4'-P energy: -96.033 tors. eta vs tors. theta energy: -198.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2215.034420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.034420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.034420 (E_RNA) where: Base-Base interactions energy: -1494.935 where: short stacking energy: -646.503 Base-Backbone interact. energy: 0.747 local terms energy: -720.846486 where: bonds (distance) C4'-P energy: -157.968 bonds (distance) P-C4' energy: -132.625 flat angles C4'-P-C4' energy: -146.655 flat angles P-C4'-P energy: -105.070 tors. eta vs tors. theta energy: -178.529 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: 155 Temperature: 1.150000 Total energy: -2055.394102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.394102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.394102 (E_RNA) where: Base-Base interactions energy: -1344.473 where: short stacking energy: -598.019 Base-Backbone interact. energy: -1.034 local terms energy: -709.886834 where: bonds (distance) C4'-P energy: -149.647 bonds (distance) P-C4' energy: -144.413 flat angles C4'-P-C4' energy: -155.379 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -165.053 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: 3 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1740.701863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.701863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.701863 (E_RNA) where: Base-Base interactions energy: -1143.214 where: short stacking energy: -521.299 Base-Backbone interact. energy: -3.281 local terms energy: -594.206362 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -131.088 flat angles C4'-P-C4' energy: -147.581 flat angles P-C4'-P energy: -62.146 tors. eta vs tors. theta energy: -119.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1540.522272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.522272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.522272 (E_RNA) where: Base-Base interactions energy: -955.564 where: short stacking energy: -440.688 Base-Backbone interact. energy: -1.941 local terms energy: -583.016823 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -133.132 flat angles C4'-P-C4' energy: -144.201 flat angles P-C4'-P energy: -76.900 tors. eta vs tors. theta energy: -101.836 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: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -951.060826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.060826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.060826 (E_RNA) where: Base-Base interactions energy: -513.484 where: short stacking energy: -265.666 Base-Backbone interact. energy: -2.794 local terms energy: -434.783548 where: bonds (distance) C4'-P energy: -96.972 bonds (distance) P-C4' energy: -143.167 flat angles C4'-P-C4' energy: -110.682 flat angles P-C4'-P energy: -87.170 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: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -827.452966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.452966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.452966 (E_RNA) where: Base-Base interactions energy: -388.486 where: short stacking energy: -218.608 Base-Backbone interact. energy: 3.668 local terms energy: -442.634499 where: bonds (distance) C4'-P energy: -116.603 bonds (distance) P-C4' energy: -160.147 flat angles C4'-P-C4' energy: -112.941 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: 20.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2829.513883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.513883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.513883 (E_RNA) where: Base-Base interactions energy: -1932.985 where: short stacking energy: -841.057 Base-Backbone interact. energy: -0.850 local terms energy: -895.679024 where: bonds (distance) C4'-P energy: -172.082 bonds (distance) P-C4' energy: -152.448 flat angles C4'-P-C4' energy: -200.895 flat angles P-C4'-P energy: -120.174 tors. eta vs tors. theta energy: -250.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2661.977771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.977771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.977771 (E_RNA) where: Base-Base interactions energy: -1791.434 where: short stacking energy: -802.154 Base-Backbone interact. energy: -3.819 local terms energy: -866.725571 where: bonds (distance) C4'-P energy: -152.387 bonds (distance) P-C4' energy: -160.451 flat angles C4'-P-C4' energy: -192.478 flat angles P-C4'-P energy: -123.064 tors. eta vs tors. theta energy: -238.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2651.381949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.381949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.381949 (E_RNA) where: Base-Base interactions energy: -1822.722 where: short stacking energy: -752.686 Base-Backbone interact. energy: -3.472 local terms energy: -825.188015 where: bonds (distance) C4'-P energy: -164.072 bonds (distance) P-C4' energy: -137.110 flat angles C4'-P-C4' energy: -182.917 flat angles P-C4'-P energy: -110.582 tors. eta vs tors. theta energy: -230.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2401.966054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.966054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.966054 (E_RNA) where: Base-Base interactions energy: -1605.731 where: short stacking energy: -714.524 Base-Backbone interact. energy: -2.561 local terms energy: -793.674036 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -169.999 flat angles C4'-P-C4' energy: -171.785 flat angles P-C4'-P energy: -113.042 tors. eta vs tors. theta energy: -198.716 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: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2259.437413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.437413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.437413 (E_RNA) where: Base-Base interactions energy: -1505.853 where: short stacking energy: -626.663 Base-Backbone interact. energy: -5.078 local terms energy: -748.506018 where: bonds (distance) C4'-P energy: -155.858 bonds (distance) P-C4' energy: -143.441 flat angles C4'-P-C4' energy: -163.585 flat angles P-C4'-P energy: -116.973 tors. eta vs tors. theta energy: -168.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1967.544933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.544933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.544933 (E_RNA) where: Base-Base interactions energy: -1332.815 where: short stacking energy: -579.819 Base-Backbone interact. energy: 0.340 local terms energy: -635.069735 where: bonds (distance) C4'-P energy: -134.478 bonds (distance) P-C4' energy: -148.489 flat angles C4'-P-C4' energy: -135.802 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -130.283 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: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1837.925415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.925415 (E_RNA) where: Base-Base interactions energy: -1197.263 where: short stacking energy: -545.312 Base-Backbone interact. energy: -2.721 local terms energy: -637.941802 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -137.987 flat angles C4'-P-C4' energy: -158.528 flat angles P-C4'-P energy: -107.873 tors. eta vs tors. theta energy: -112.812 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: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1524.449006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.449006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.449006 (E_RNA) where: Base-Base interactions energy: -963.735 where: short stacking energy: -449.116 Base-Backbone interact. energy: 1.243 local terms energy: -561.957452 where: bonds (distance) C4'-P energy: -151.500 bonds (distance) P-C4' energy: -119.773 flat angles C4'-P-C4' energy: -132.986 flat angles P-C4'-P energy: -84.408 tors. eta vs tors. theta energy: -73.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -938.551050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.551050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.551050 (E_RNA) where: Base-Base interactions energy: -450.585 where: short stacking energy: -244.772 Base-Backbone interact. energy: -0.385 local terms energy: -487.580541 where: bonds (distance) C4'-P energy: -144.398 bonds (distance) P-C4' energy: -140.947 flat angles C4'-P-C4' energy: -129.714 flat angles P-C4'-P energy: -80.179 tors. eta vs tors. theta energy: 7.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -771.774872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.774872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.774872 (E_RNA) where: Base-Base interactions energy: -379.624 where: short stacking energy: -232.960 Base-Backbone interact. energy: 0.027 local terms energy: -392.178476 where: bonds (distance) C4'-P energy: -99.398 bonds (distance) P-C4' energy: -132.606 flat angles C4'-P-C4' energy: -112.263 flat angles P-C4'-P energy: -59.620 tors. eta vs tors. theta energy: 11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2852.114999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.114999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.114999 (E_RNA) where: Base-Base interactions energy: -1970.217 where: short stacking energy: -822.903 Base-Backbone interact. energy: -4.155 local terms energy: -877.742960 where: bonds (distance) C4'-P energy: -166.980 bonds (distance) P-C4' energy: -152.094 flat angles C4'-P-C4' energy: -184.624 flat angles P-C4'-P energy: -123.463 tors. eta vs tors. theta energy: -250.582 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: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2627.615994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.615994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.615994 (E_RNA) where: Base-Base interactions energy: -1812.900 where: short stacking energy: -785.956 Base-Backbone interact. energy: -4.382 local terms energy: -810.334370 where: bonds (distance) C4'-P energy: -151.494 bonds (distance) P-C4' energy: -143.727 flat angles C4'-P-C4' energy: -183.376 flat angles P-C4'-P energy: -113.619 tors. eta vs tors. theta energy: -218.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2607.533904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.533904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.533904 (E_RNA) where: Base-Base interactions energy: -1800.678 where: short stacking energy: -762.807 Base-Backbone interact. energy: -5.157 local terms energy: -801.699367 where: bonds (distance) C4'-P energy: -152.045 bonds (distance) P-C4' energy: -133.158 flat angles C4'-P-C4' energy: -167.787 flat angles P-C4'-P energy: -124.367 tors. eta vs tors. theta energy: -224.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2445.867404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.867404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.867404 (E_RNA) where: Base-Base interactions energy: -1653.675 where: short stacking energy: -727.726 Base-Backbone interact. energy: -1.957 local terms energy: -790.234770 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -152.542 flat angles C4'-P-C4' energy: -177.231 flat angles P-C4'-P energy: -100.440 tors. eta vs tors. theta energy: -204.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2237.119442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.119442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.119442 (E_RNA) where: Base-Base interactions energy: -1517.195 where: short stacking energy: -636.421 Base-Backbone interact. energy: -3.736 local terms energy: -716.187635 where: bonds (distance) C4'-P energy: -126.159 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -162.374 flat angles P-C4'-P energy: -101.145 tors. eta vs tors. theta energy: -177.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1977.899107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.899107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.899107 (E_RNA) where: Base-Base interactions energy: -1315.633 where: short stacking energy: -567.889 Base-Backbone interact. energy: -1.785 local terms energy: -660.480846 where: bonds (distance) C4'-P energy: -126.985 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -137.796 flat angles P-C4'-P energy: -87.968 tors. eta vs tors. theta energy: -150.921 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: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1843.048943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.048943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.048943 (E_RNA) where: Base-Base interactions energy: -1175.795 where: short stacking energy: -538.258 Base-Backbone interact. energy: 0.426 local terms energy: -667.679655 where: bonds (distance) C4'-P energy: -149.397 bonds (distance) P-C4' energy: -151.344 flat angles C4'-P-C4' energy: -142.278 flat angles P-C4'-P energy: -89.436 tors. eta vs tors. theta energy: -135.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1575.033576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.033576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.033576 (E_RNA) where: Base-Base interactions energy: -974.972 where: short stacking energy: -458.511 Base-Backbone interact. energy: -3.864 local terms energy: -596.197209 where: bonds (distance) C4'-P energy: -158.916 bonds (distance) P-C4' energy: -127.095 flat angles C4'-P-C4' energy: -149.538 flat angles P-C4'-P energy: -70.400 tors. eta vs tors. theta energy: -90.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -982.733608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.733608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.733608 (E_RNA) where: Base-Base interactions energy: -522.988 where: short stacking energy: -303.941 Base-Backbone interact. energy: -0.584 local terms energy: -459.161993 where: bonds (distance) C4'-P energy: -122.598 bonds (distance) P-C4' energy: -139.168 flat angles C4'-P-C4' energy: -125.596 flat angles P-C4'-P energy: -56.557 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: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -804.950715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.950715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.950715 (E_RNA) where: Base-Base interactions energy: -367.709 where: short stacking energy: -228.346 Base-Backbone interact. energy: -2.640 local terms energy: -434.602062 where: bonds (distance) C4'-P energy: -109.767 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -120.948 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: 13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2858.270581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.270581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.270581 (E_RNA) where: Base-Base interactions energy: -1956.844 where: short stacking energy: -844.067 Base-Backbone interact. energy: -1.016 local terms energy: -900.410425 where: bonds (distance) C4'-P energy: -167.931 bonds (distance) P-C4' energy: -164.277 flat angles C4'-P-C4' energy: -186.210 flat angles P-C4'-P energy: -130.055 tors. eta vs tors. theta energy: -251.937 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: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2659.164904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.164904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.164904 (E_RNA) where: Base-Base interactions energy: -1815.375 where: short stacking energy: -771.818 Base-Backbone interact. energy: -3.958 local terms energy: -839.831492 where: bonds (distance) C4'-P energy: -154.274 bonds (distance) P-C4' energy: -165.013 flat angles C4'-P-C4' energy: -180.242 flat angles P-C4'-P energy: -121.251 tors. eta vs tors. theta energy: -219.052 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: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2608.694814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.694814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.694814 (E_RNA) where: Base-Base interactions energy: -1809.629 where: short stacking energy: -755.576 Base-Backbone interact. energy: -4.164 local terms energy: -794.902181 where: bonds (distance) C4'-P energy: -147.849 bonds (distance) P-C4' energy: -147.820 flat angles C4'-P-C4' energy: -172.537 flat angles P-C4'-P energy: -99.932 tors. eta vs tors. theta energy: -226.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2450.996005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.996005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.996005 (E_RNA) where: Base-Base interactions energy: -1660.146 where: short stacking energy: -709.256 Base-Backbone interact. energy: 0.349 local terms energy: -791.198963 where: bonds (distance) C4'-P energy: -150.164 bonds (distance) P-C4' energy: -153.239 flat angles C4'-P-C4' energy: -172.603 flat angles P-C4'-P energy: -108.143 tors. eta vs tors. theta energy: -207.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2191.054626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.054626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.054626 (E_RNA) where: Base-Base interactions energy: -1454.971 where: short stacking energy: -641.761 Base-Backbone interact. energy: -3.015 local terms energy: -733.068698 where: bonds (distance) C4'-P energy: -159.242 bonds (distance) P-C4' energy: -157.309 flat angles C4'-P-C4' energy: -156.326 flat angles P-C4'-P energy: -94.658 tors. eta vs tors. theta energy: -165.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2025.890947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.890947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.890947 (E_RNA) where: Base-Base interactions energy: -1356.482 where: short stacking energy: -591.868 Base-Backbone interact. energy: -0.618 local terms energy: -668.791340 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -132.930 flat angles C4'-P-C4' energy: -158.917 flat angles P-C4'-P energy: -100.378 tors. eta vs tors. theta energy: -148.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1825.266103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.266103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.266103 (E_RNA) where: Base-Base interactions energy: -1184.798 where: short stacking energy: -538.024 Base-Backbone interact. energy: -4.384 local terms energy: -636.083680 where: bonds (distance) C4'-P energy: -147.065 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -147.517 flat angles P-C4'-P energy: -93.763 tors. eta vs tors. theta energy: -128.810 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: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1541.355608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.355608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.355608 (E_RNA) where: Base-Base interactions energy: -933.998 where: short stacking energy: -442.393 Base-Backbone interact. energy: 0.163 local terms energy: -607.520842 where: bonds (distance) C4'-P energy: -132.648 bonds (distance) P-C4' energy: -147.074 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -81.027 tors. eta vs tors. theta energy: -101.631 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: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -968.081724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.081724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.081724 (E_RNA) where: Base-Base interactions energy: -507.730 where: short stacking energy: -272.312 Base-Backbone interact. energy: -1.733 local terms energy: -458.618247 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -147.418 flat angles C4'-P-C4' energy: -140.952 flat angles P-C4'-P energy: -58.599 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -791.960378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.960378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.960378 (E_RNA) where: Base-Base interactions energy: -378.101 where: short stacking energy: -217.774 Base-Backbone interact. energy: 2.169 local terms energy: -416.028138 where: bonds (distance) C4'-P energy: -107.039 bonds (distance) P-C4' energy: -133.415 flat angles C4'-P-C4' energy: -118.873 flat angles P-C4'-P energy: -63.187 tors. eta vs tors. theta energy: 6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2833.496982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.496982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.496982 (E_RNA) where: Base-Base interactions energy: -1968.748 where: short stacking energy: -864.853 Base-Backbone interact. energy: -4.086 local terms energy: -860.662466 where: bonds (distance) C4'-P energy: -145.010 bonds (distance) P-C4' energy: -160.304 flat angles C4'-P-C4' energy: -186.408 flat angles P-C4'-P energy: -120.684 tors. eta vs tors. theta energy: -248.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2700.976972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.976972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.976972 (E_RNA) where: Base-Base interactions energy: -1857.302 where: short stacking energy: -798.554 Base-Backbone interact. energy: 4.568 local terms energy: -848.242817 where: bonds (distance) C4'-P energy: -154.908 bonds (distance) P-C4' energy: -163.832 flat angles C4'-P-C4' energy: -180.765 flat angles P-C4'-P energy: -117.159 tors. eta vs tors. theta energy: -231.579 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: 159 Temperature: 1.000000 Total energy: -2569.609585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.609585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.609585 (E_RNA) where: Base-Base interactions energy: -1760.550 where: short stacking energy: -728.785 Base-Backbone interact. energy: -5.020 local terms energy: -804.040189 where: bonds (distance) C4'-P energy: -155.386 bonds (distance) P-C4' energy: -168.788 flat angles C4'-P-C4' energy: -171.098 flat angles P-C4'-P energy: -108.977 tors. eta vs tors. theta energy: -199.791 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: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2434.026831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.026831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.026831 (E_RNA) where: Base-Base interactions energy: -1681.042 where: short stacking energy: -718.325 Base-Backbone interact. energy: -0.045 local terms energy: -752.939033 where: bonds (distance) C4'-P energy: -130.971 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -174.292 flat angles P-C4'-P energy: -84.465 tors. eta vs tors. theta energy: -202.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2188.318246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.318246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.318246 (E_RNA) where: Base-Base interactions energy: -1473.498 where: short stacking energy: -597.856 Base-Backbone interact. energy: -6.410 local terms energy: -708.409935 where: bonds (distance) C4'-P energy: -147.868 bonds (distance) P-C4' energy: -143.586 flat angles C4'-P-C4' energy: -145.457 flat angles P-C4'-P energy: -95.231 tors. eta vs tors. theta energy: -176.268 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: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2083.918797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.918797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.918797 (E_RNA) where: Base-Base interactions energy: -1389.926 where: short stacking energy: -604.225 Base-Backbone interact. energy: -1.827 local terms energy: -692.165980 where: bonds (distance) C4'-P energy: -136.182 bonds (distance) P-C4' energy: -121.488 flat angles C4'-P-C4' energy: -168.248 flat angles P-C4'-P energy: -103.963 tors. eta vs tors. theta energy: -162.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1798.557527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.557527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.557527 (E_RNA) where: Base-Base interactions energy: -1117.607 where: short stacking energy: -510.612 Base-Backbone interact. energy: -1.443 local terms energy: -679.507105 where: bonds (distance) C4'-P energy: -147.008 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -138.487 flat angles P-C4'-P energy: -109.303 tors. eta vs tors. theta energy: -136.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1544.453876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.453876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.453876 (E_RNA) where: Base-Base interactions energy: -953.166 where: short stacking energy: -437.535 Base-Backbone interact. energy: -2.664 local terms energy: -588.623582 where: bonds (distance) C4'-P energy: -124.534 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -154.533 flat angles P-C4'-P energy: -90.077 tors. eta vs tors. theta energy: -94.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -964.768290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.768290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.768290 (E_RNA) where: Base-Base interactions energy: -510.839 where: short stacking energy: -277.767 Base-Backbone interact. energy: 0.958 local terms energy: -454.887118 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -129.768 flat angles C4'-P-C4' energy: -123.085 flat angles P-C4'-P energy: -59.837 tors. eta vs tors. theta energy: -1.192 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: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -844.302902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.302902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.302902 (E_RNA) where: Base-Base interactions energy: -430.874 where: short stacking energy: -250.228 Base-Backbone interact. energy: 0.343 local terms energy: -413.771197 where: bonds (distance) C4'-P energy: -127.266 bonds (distance) P-C4' energy: -119.101 flat angles C4'-P-C4' energy: -120.120 flat angles P-C4'-P energy: -56.632 tors. eta vs tors. theta energy: 9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2843.260627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.260627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.260627 (E_RNA) where: Base-Base interactions energy: -1946.719 where: short stacking energy: -840.404 Base-Backbone interact. energy: -5.308 local terms energy: -891.234456 where: bonds (distance) C4'-P energy: -162.694 bonds (distance) P-C4' energy: -170.759 flat angles C4'-P-C4' energy: -182.441 flat angles P-C4'-P energy: -119.893 tors. eta vs tors. theta energy: -255.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2694.560116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.560116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.560116 (E_RNA) where: Base-Base interactions energy: -1836.684 where: short stacking energy: -782.257 Base-Backbone interact. energy: -7.960 local terms energy: -849.915728 where: bonds (distance) C4'-P energy: -144.861 bonds (distance) P-C4' energy: -162.979 flat angles C4'-P-C4' energy: -181.043 flat angles P-C4'-P energy: -120.976 tors. eta vs tors. theta energy: -240.057 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: 160 Temperature: 1.000000 Total energy: -2589.150222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.150222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.150222 (E_RNA) where: Base-Base interactions energy: -1766.009 where: short stacking energy: -731.438 Base-Backbone interact. energy: -1.549 local terms energy: -821.592528 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -169.603 flat angles C4'-P-C4' energy: -178.454 flat angles P-C4'-P energy: -113.838 tors. eta vs tors. theta energy: -216.611 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: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2498.242333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.242333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.242333 (E_RNA) where: Base-Base interactions energy: -1670.304 where: short stacking energy: -730.744 Base-Backbone interact. energy: 1.639 local terms energy: -829.577193 where: bonds (distance) C4'-P energy: -144.689 bonds (distance) P-C4' energy: -165.985 flat angles C4'-P-C4' energy: -180.849 flat angles P-C4'-P energy: -121.907 tors. eta vs tors. theta energy: -216.148 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2210.867586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.867586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.867586 (E_RNA) where: Base-Base interactions energy: -1457.638 where: short stacking energy: -596.233 Base-Backbone interact. energy: -4.573 local terms energy: -748.656612 where: bonds (distance) C4'-P energy: -152.986 bonds (distance) P-C4' energy: -148.292 flat angles C4'-P-C4' energy: -160.072 flat angles P-C4'-P energy: -117.813 tors. eta vs tors. theta energy: -169.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2101.777717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.777717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.777717 (E_RNA) where: Base-Base interactions energy: -1405.913 where: short stacking energy: -608.110 Base-Backbone interact. energy: 2.485 local terms energy: -698.349020 where: bonds (distance) C4'-P energy: -129.914 bonds (distance) P-C4' energy: -138.380 flat angles C4'-P-C4' energy: -174.126 flat angles P-C4'-P energy: -100.813 tors. eta vs tors. theta energy: -155.117 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: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1835.366793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.366793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.366793 (E_RNA) where: Base-Base interactions energy: -1200.109 where: short stacking energy: -543.425 Base-Backbone interact. energy: 0.801 local terms energy: -636.058245 where: bonds (distance) C4'-P energy: -137.671 bonds (distance) P-C4' energy: -136.551 flat angles C4'-P-C4' energy: -149.804 flat angles P-C4'-P energy: -89.765 tors. eta vs tors. theta energy: -122.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1464.781802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.781802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.781802 (E_RNA) where: Base-Base interactions energy: -963.958 where: short stacking energy: -436.478 Base-Backbone interact. energy: -3.426 local terms energy: -497.397206 where: bonds (distance) C4'-P energy: -126.822 bonds (distance) P-C4' energy: -116.468 flat angles C4'-P-C4' energy: -130.011 flat angles P-C4'-P energy: -75.895 tors. eta vs tors. theta energy: -48.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -989.267371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.267371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.267371 (E_RNA) where: Base-Base interactions energy: -523.797 where: short stacking energy: -294.183 Base-Backbone interact. energy: 0.263 local terms energy: -465.733957 where: bonds (distance) C4'-P energy: -113.147 bonds (distance) P-C4' energy: -144.169 flat angles C4'-P-C4' energy: -123.524 flat angles P-C4'-P energy: -57.102 tors. eta vs tors. theta energy: -27.792 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: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -839.819493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.819493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.819493 (E_RNA) where: Base-Base interactions energy: -422.410 where: short stacking energy: -232.254 Base-Backbone interact. energy: 0.378 local terms energy: -417.787885 where: bonds (distance) C4'-P energy: -151.369 bonds (distance) P-C4' energy: -115.705 flat angles C4'-P-C4' energy: -102.565 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2864.286805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.286805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.286805 (E_RNA) where: Base-Base interactions energy: -1944.716 where: short stacking energy: -852.958 Base-Backbone interact. energy: -2.835 local terms energy: -916.736428 where: bonds (distance) C4'-P energy: -173.746 bonds (distance) P-C4' energy: -173.377 flat angles C4'-P-C4' energy: -186.428 flat angles P-C4'-P energy: -131.620 tors. eta vs tors. theta energy: -251.565 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: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2675.694144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.694144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.694144 (E_RNA) where: Base-Base interactions energy: -1818.624 where: short stacking energy: -781.335 Base-Backbone interact. energy: -7.966 local terms energy: -849.104810 where: bonds (distance) C4'-P energy: -152.084 bonds (distance) P-C4' energy: -175.413 flat angles C4'-P-C4' energy: -176.997 flat angles P-C4'-P energy: -111.760 tors. eta vs tors. theta energy: -232.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2582.390793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.390793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.390793 (E_RNA) where: Base-Base interactions energy: -1759.215 where: short stacking energy: -755.447 Base-Backbone interact. energy: -3.312 local terms energy: -819.863723 where: bonds (distance) C4'-P energy: -149.620 bonds (distance) P-C4' energy: -158.260 flat angles C4'-P-C4' energy: -181.557 flat angles P-C4'-P energy: -116.041 tors. eta vs tors. theta energy: -214.385 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: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2464.930016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.930016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.930016 (E_RNA) where: Base-Base interactions energy: -1672.854 where: short stacking energy: -708.771 Base-Backbone interact. energy: -0.491 local terms energy: -791.585132 where: bonds (distance) C4'-P energy: -148.815 bonds (distance) P-C4' energy: -149.284 flat angles C4'-P-C4' energy: -179.912 flat angles P-C4'-P energy: -117.875 tors. eta vs tors. theta energy: -195.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2202.676972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.676972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.676972 (E_RNA) where: Base-Base interactions energy: -1486.787 where: short stacking energy: -649.703 Base-Backbone interact. energy: 1.309 local terms energy: -717.199485 where: bonds (distance) C4'-P energy: -138.748 bonds (distance) P-C4' energy: -160.173 flat angles C4'-P-C4' energy: -158.550 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -169.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2105.853465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.853465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.853465 (E_RNA) where: Base-Base interactions energy: -1418.913 where: short stacking energy: -622.717 Base-Backbone interact. energy: -2.922 local terms energy: -684.019190 where: bonds (distance) C4'-P energy: -127.406 bonds (distance) P-C4' energy: -142.043 flat angles C4'-P-C4' energy: -158.077 flat angles P-C4'-P energy: -98.555 tors. eta vs tors. theta energy: -157.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1878.498097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.498097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.498097 (E_RNA) where: Base-Base interactions energy: -1213.674 where: short stacking energy: -554.196 Base-Backbone interact. energy: 0.836 local terms energy: -665.659963 where: bonds (distance) C4'-P energy: -137.020 bonds (distance) P-C4' energy: -142.041 flat angles C4'-P-C4' energy: -131.438 flat angles P-C4'-P energy: -107.480 tors. eta vs tors. theta energy: -147.680 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: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1458.892004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.892004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.892004 (E_RNA) where: Base-Base interactions energy: -877.699 where: short stacking energy: -397.410 Base-Backbone interact. energy: 1.527 local terms energy: -582.719933 where: bonds (distance) C4'-P energy: -148.683 bonds (distance) P-C4' energy: -148.586 flat angles C4'-P-C4' energy: -125.576 flat angles P-C4'-P energy: -87.118 tors. eta vs tors. theta energy: -72.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -977.070283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.070283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.070283 (E_RNA) where: Base-Base interactions energy: -515.713 where: short stacking energy: -289.445 Base-Backbone interact. energy: 1.652 local terms energy: -463.008797 where: bonds (distance) C4'-P energy: -114.513 bonds (distance) P-C4' energy: -136.716 flat angles C4'-P-C4' energy: -109.536 flat angles P-C4'-P energy: -84.877 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -800.747062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.747062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.747062 (E_RNA) where: Base-Base interactions energy: -356.749 where: short stacking energy: -207.016 Base-Backbone interact. energy: -5.345 local terms energy: -438.653209 where: bonds (distance) C4'-P energy: -112.727 bonds (distance) P-C4' energy: -140.646 flat angles C4'-P-C4' energy: -133.543 flat angles P-C4'-P energy: -73.209 tors. eta vs tors. theta energy: 21.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2848.581299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.581299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.581299 (E_RNA) where: Base-Base interactions energy: -1956.721 where: short stacking energy: -831.622 Base-Backbone interact. energy: -5.043 local terms energy: -886.816998 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -171.008 flat angles C4'-P-C4' energy: -193.225 flat angles P-C4'-P energy: -124.980 tors. eta vs tors. theta energy: -247.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2736.050629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.050629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.050629 (E_RNA) where: Base-Base interactions energy: -1879.735 where: short stacking energy: -794.243 Base-Backbone interact. energy: -6.020 local terms energy: -850.295410 where: bonds (distance) C4'-P energy: -150.817 bonds (distance) P-C4' energy: -166.915 flat angles C4'-P-C4' energy: -185.443 flat angles P-C4'-P energy: -113.875 tors. eta vs tors. theta energy: -233.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2567.529396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.529396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.529396 (E_RNA) where: Base-Base interactions energy: -1735.492 where: short stacking energy: -765.087 Base-Backbone interact. energy: -4.166 local terms energy: -827.870636 where: bonds (distance) C4'-P energy: -159.064 bonds (distance) P-C4' energy: -169.950 flat angles C4'-P-C4' energy: -161.624 flat angles P-C4'-P energy: -116.019 tors. eta vs tors. theta energy: -221.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2383.202420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.202420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.202420 (E_RNA) where: Base-Base interactions energy: -1590.085 where: short stacking energy: -696.004 Base-Backbone interact. energy: 0.487 local terms energy: -793.604249 where: bonds (distance) C4'-P energy: -141.363 bonds (distance) P-C4' energy: -171.406 flat angles C4'-P-C4' energy: -168.154 flat angles P-C4'-P energy: -111.997 tors. eta vs tors. theta energy: -200.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2234.491118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.491118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.491118 (E_RNA) where: Base-Base interactions energy: -1501.314 where: short stacking energy: -639.898 Base-Backbone interact. energy: -1.145 local terms energy: -732.032636 where: bonds (distance) C4'-P energy: -135.681 bonds (distance) P-C4' energy: -141.513 flat angles C4'-P-C4' energy: -177.373 flat angles P-C4'-P energy: -93.173 tors. eta vs tors. theta energy: -184.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2139.153224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.153224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.153224 (E_RNA) where: Base-Base interactions energy: -1438.197 where: short stacking energy: -620.890 Base-Backbone interact. energy: -4.566 local terms energy: -696.390686 where: bonds (distance) C4'-P energy: -137.075 bonds (distance) P-C4' energy: -142.552 flat angles C4'-P-C4' energy: -159.556 flat angles P-C4'-P energy: -105.040 tors. eta vs tors. theta energy: -152.168 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: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1758.726697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.726697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.726697 (E_RNA) where: Base-Base interactions energy: -1168.608 where: short stacking energy: -482.811 Base-Backbone interact. energy: -1.284 local terms energy: -588.834977 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -139.004 flat angles C4'-P-C4' energy: -147.739 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: -114.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1495.075381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.075381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.075381 (E_RNA) where: Base-Base interactions energy: -915.821 where: short stacking energy: -440.465 Base-Backbone interact. energy: -1.972 local terms energy: -577.281607 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -131.129 flat angles C4'-P-C4' energy: -138.512 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -103.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1004.858809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.858809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.858809 (E_RNA) where: Base-Base interactions energy: -502.138 where: short stacking energy: -256.583 Base-Backbone interact. energy: -1.037 local terms energy: -501.684130 where: bonds (distance) C4'-P energy: -151.449 bonds (distance) P-C4' energy: -131.160 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -74.139 tors. eta vs tors. theta energy: -17.069 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: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -785.606167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.606167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.606167 (E_RNA) where: Base-Base interactions energy: -365.894 where: short stacking energy: -229.612 Base-Backbone interact. energy: -4.462 local terms energy: -415.250389 where: bonds (distance) C4'-P energy: -142.162 bonds (distance) P-C4' energy: -131.207 flat angles C4'-P-C4' energy: -102.887 flat angles P-C4'-P energy: -55.233 tors. eta vs tors. theta energy: 16.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2887.553904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.553904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.553904 (E_RNA) where: Base-Base interactions energy: -1981.543 where: short stacking energy: -852.710 Base-Backbone interact. energy: 0.224 local terms energy: -906.235423 where: bonds (distance) C4'-P energy: -174.752 bonds (distance) P-C4' energy: -169.381 flat angles C4'-P-C4' energy: -194.914 flat angles P-C4'-P energy: -114.511 tors. eta vs tors. theta energy: -252.677 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: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2730.326437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.326437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.326437 (E_RNA) where: Base-Base interactions energy: -1899.905 where: short stacking energy: -799.326 Base-Backbone interact. energy: -5.852 local terms energy: -824.569693 where: bonds (distance) C4'-P energy: -143.781 bonds (distance) P-C4' energy: -161.377 flat angles C4'-P-C4' energy: -179.126 flat angles P-C4'-P energy: -109.910 tors. eta vs tors. theta energy: -230.376 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: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2570.321425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.321425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.321425 (E_RNA) where: Base-Base interactions energy: -1779.726 where: short stacking energy: -741.725 Base-Backbone interact. energy: -3.245 local terms energy: -787.349600 where: bonds (distance) C4'-P energy: -139.287 bonds (distance) P-C4' energy: -153.645 flat angles C4'-P-C4' energy: -168.237 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -213.008 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: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2368.932069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.932069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.932069 (E_RNA) where: Base-Base interactions energy: -1623.215 where: short stacking energy: -718.742 Base-Backbone interact. energy: -1.288 local terms energy: -744.429880 where: bonds (distance) C4'-P energy: -143.210 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -162.890 flat angles P-C4'-P energy: -106.890 tors. eta vs tors. theta energy: -185.508 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: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2248.116351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.116351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.116351 (E_RNA) where: Base-Base interactions energy: -1479.936 where: short stacking energy: -606.572 Base-Backbone interact. energy: -0.813 local terms energy: -767.367576 where: bonds (distance) C4'-P energy: -145.105 bonds (distance) P-C4' energy: -163.617 flat angles C4'-P-C4' energy: -164.732 flat angles P-C4'-P energy: -113.257 tors. eta vs tors. theta energy: -180.657 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: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2072.637208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.637208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.637208 (E_RNA) where: Base-Base interactions energy: -1385.676 where: short stacking energy: -576.513 Base-Backbone interact. energy: 3.411 local terms energy: -690.372238 where: bonds (distance) C4'-P energy: -153.926 bonds (distance) P-C4' energy: -149.450 flat angles C4'-P-C4' energy: -149.663 flat angles P-C4'-P energy: -83.420 tors. eta vs tors. theta energy: -153.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1799.657221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.657221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.657221 (E_RNA) where: Base-Base interactions energy: -1181.832 where: short stacking energy: -520.283 Base-Backbone interact. energy: -3.334 local terms energy: -614.490688 where: bonds (distance) C4'-P energy: -120.338 bonds (distance) P-C4' energy: -147.470 flat angles C4'-P-C4' energy: -141.314 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -120.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1440.505554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.505554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.505554 (E_RNA) where: Base-Base interactions energy: -913.001 where: short stacking energy: -403.816 Base-Backbone interact. energy: -1.167 local terms energy: -526.337927 where: bonds (distance) C4'-P energy: -130.874 bonds (distance) P-C4' energy: -122.819 flat angles C4'-P-C4' energy: -119.756 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -70.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1019.594870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.594870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.594870 (E_RNA) where: Base-Base interactions energy: -510.841 where: short stacking energy: -292.066 Base-Backbone interact. energy: 2.595 local terms energy: -511.348109 where: bonds (distance) C4'-P energy: -135.407 bonds (distance) P-C4' energy: -140.385 flat angles C4'-P-C4' energy: -143.374 flat angles P-C4'-P energy: -69.704 tors. eta vs tors. theta energy: -22.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -800.140033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.140033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.140033 (E_RNA) where: Base-Base interactions energy: -364.831 where: short stacking energy: -228.211 Base-Backbone interact. energy: -0.726 local terms energy: -434.583036 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -116.474 flat angles P-C4'-P energy: -74.585 tors. eta vs tors. theta energy: 14.380 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: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2872.143045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.143045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.143045 (E_RNA) where: Base-Base interactions energy: -1958.692 where: short stacking energy: -834.613 Base-Backbone interact. energy: -3.053 local terms energy: -910.397686 where: bonds (distance) C4'-P energy: -165.711 bonds (distance) P-C4' energy: -164.927 flat angles C4'-P-C4' energy: -193.841 flat angles P-C4'-P energy: -130.707 tors. eta vs tors. theta energy: -255.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2702.446278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.446278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.446278 (E_RNA) where: Base-Base interactions energy: -1865.003 where: short stacking energy: -774.887 Base-Backbone interact. energy: -0.749 local terms energy: -836.693926 where: bonds (distance) C4'-P energy: -169.133 bonds (distance) P-C4' energy: -156.980 flat angles C4'-P-C4' energy: -179.420 flat angles P-C4'-P energy: -113.771 tors. eta vs tors. theta energy: -217.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2522.926630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.926630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.926630 (E_RNA) where: Base-Base interactions energy: -1695.339 where: short stacking energy: -762.180 Base-Backbone interact. energy: 5.061 local terms energy: -832.648213 where: bonds (distance) C4'-P energy: -161.108 bonds (distance) P-C4' energy: -151.800 flat angles C4'-P-C4' energy: -178.008 flat angles P-C4'-P energy: -110.856 tors. eta vs tors. theta energy: -230.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2510.172337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.172337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.172337 (E_RNA) where: Base-Base interactions energy: -1692.767 where: short stacking energy: -726.040 Base-Backbone interact. energy: -0.827 local terms energy: -816.578373 where: bonds (distance) C4'-P energy: -147.275 bonds (distance) P-C4' energy: -155.348 flat angles C4'-P-C4' energy: -168.503 flat angles P-C4'-P energy: -125.029 tors. eta vs tors. theta energy: -220.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2303.010409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.010409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.010409 (E_RNA) where: Base-Base interactions energy: -1544.680 where: short stacking energy: -651.254 Base-Backbone interact. energy: -1.536 local terms energy: -756.794330 where: bonds (distance) C4'-P energy: -164.967 bonds (distance) P-C4' energy: -154.335 flat angles C4'-P-C4' energy: -151.318 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -181.940 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: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2053.496683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.496683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.496683 (E_RNA) where: Base-Base interactions energy: -1376.724 where: short stacking energy: -598.846 Base-Backbone interact. energy: -0.731 local terms energy: -676.042201 where: bonds (distance) C4'-P energy: -110.533 bonds (distance) P-C4' energy: -159.183 flat angles C4'-P-C4' energy: -160.815 flat angles P-C4'-P energy: -109.331 tors. eta vs tors. theta energy: -136.180 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: 3 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1861.367684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.367684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.367684 (E_RNA) where: Base-Base interactions energy: -1217.671 where: short stacking energy: -526.476 Base-Backbone interact. energy: -1.874 local terms energy: -641.822562 where: bonds (distance) C4'-P energy: -128.738 bonds (distance) P-C4' energy: -137.851 flat angles C4'-P-C4' energy: -143.915 flat angles P-C4'-P energy: -102.643 tors. eta vs tors. theta energy: -128.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1414.393425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.393425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.393425 (E_RNA) where: Base-Base interactions energy: -878.101 where: short stacking energy: -403.887 Base-Backbone interact. energy: 2.524 local terms energy: -538.816706 where: bonds (distance) C4'-P energy: -126.683 bonds (distance) P-C4' energy: -120.050 flat angles C4'-P-C4' energy: -144.416 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -67.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1028.978565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.978565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.978565 (E_RNA) where: Base-Base interactions energy: -548.875 where: short stacking energy: -273.563 Base-Backbone interact. energy: 0.019 local terms energy: -480.122084 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -124.012 flat angles C4'-P-C4' energy: -113.273 flat angles P-C4'-P energy: -62.710 tors. eta vs tors. theta energy: -29.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -860.086601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.086601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.086601 (E_RNA) where: Base-Base interactions energy: -411.985 where: short stacking energy: -233.646 Base-Backbone interact. energy: -1.721 local terms energy: -446.381054 where: bonds (distance) C4'-P energy: -139.678 bonds (distance) P-C4' energy: -132.144 flat angles C4'-P-C4' energy: -118.832 flat angles P-C4'-P energy: -46.851 tors. eta vs tors. theta energy: -8.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2837.978475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.978475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.978475 (E_RNA) where: Base-Base interactions energy: -1957.680 where: short stacking energy: -842.025 Base-Backbone interact. energy: -3.173 local terms energy: -877.125879 where: bonds (distance) C4'-P energy: -170.557 bonds (distance) P-C4' energy: -153.025 flat angles C4'-P-C4' energy: -187.995 flat angles P-C4'-P energy: -118.679 tors. eta vs tors. theta energy: -246.869 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: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2712.540386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.540386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.540386 (E_RNA) where: Base-Base interactions energy: -1838.485 where: short stacking energy: -771.264 Base-Backbone interact. energy: -5.861 local terms energy: -868.194560 where: bonds (distance) C4'-P energy: -154.371 bonds (distance) P-C4' energy: -156.643 flat angles C4'-P-C4' energy: -187.217 flat angles P-C4'-P energy: -130.460 tors. eta vs tors. theta energy: -239.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2478.515601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.515601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.515601 (E_RNA) where: Base-Base interactions energy: -1680.664 where: short stacking energy: -732.999 Base-Backbone interact. energy: 0.053 local terms energy: -797.903938 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -172.694 flat angles C4'-P-C4' energy: -181.749 flat angles P-C4'-P energy: -105.718 tors. eta vs tors. theta energy: -192.738 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: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2500.221547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.221547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.221547 (E_RNA) where: Base-Base interactions energy: -1734.606 where: short stacking energy: -720.840 Base-Backbone interact. energy: -0.509 local terms energy: -765.106895 where: bonds (distance) C4'-P energy: -139.337 bonds (distance) P-C4' energy: -158.675 flat angles C4'-P-C4' energy: -160.078 flat angles P-C4'-P energy: -103.409 tors. eta vs tors. theta energy: -203.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2271.542066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.542066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.542066 (E_RNA) where: Base-Base interactions energy: -1535.989 where: short stacking energy: -641.584 Base-Backbone interact. energy: 0.785 local terms energy: -736.338360 where: bonds (distance) C4'-P energy: -142.089 bonds (distance) P-C4' energy: -165.562 flat angles C4'-P-C4' energy: -156.198 flat angles P-C4'-P energy: -92.369 tors. eta vs tors. theta energy: -180.120 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: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2108.988334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.988334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.988334 (E_RNA) where: Base-Base interactions energy: -1427.652 where: short stacking energy: -595.993 Base-Backbone interact. energy: -1.243 local terms energy: -680.092761 where: bonds (distance) C4'-P energy: -141.397 bonds (distance) P-C4' energy: -144.580 flat angles C4'-P-C4' energy: -152.909 flat angles P-C4'-P energy: -91.088 tors. eta vs tors. theta energy: -150.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1805.449372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.449372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.449372 (E_RNA) where: Base-Base interactions energy: -1152.889 where: short stacking energy: -514.157 Base-Backbone interact. energy: -0.895 local terms energy: -651.664911 where: bonds (distance) C4'-P energy: -145.333 bonds (distance) P-C4' energy: -130.339 flat angles C4'-P-C4' energy: -140.611 flat angles P-C4'-P energy: -106.989 tors. eta vs tors. theta energy: -128.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1465.132633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.132633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.132633 (E_RNA) where: Base-Base interactions energy: -892.642 where: short stacking energy: -426.200 Base-Backbone interact. energy: -2.595 local terms energy: -569.896215 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -82.385 tors. eta vs tors. theta energy: -80.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -992.278612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.278612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.278612 (E_RNA) where: Base-Base interactions energy: -503.818 where: short stacking energy: -258.682 Base-Backbone interact. energy: -4.605 local terms energy: -483.854940 where: bonds (distance) C4'-P energy: -135.286 bonds (distance) P-C4' energy: -133.899 flat angles C4'-P-C4' energy: -144.756 flat angles P-C4'-P energy: -75.896 tors. eta vs tors. theta energy: 5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -863.900129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.900129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.900129 (E_RNA) where: Base-Base interactions energy: -415.559 where: short stacking energy: -218.721 Base-Backbone interact. energy: 1.696 local terms energy: -450.036920 where: bonds (distance) C4'-P energy: -121.993 bonds (distance) P-C4' energy: -122.161 flat angles C4'-P-C4' energy: -137.949 flat angles P-C4'-P energy: -76.704 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: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2827.436397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.436397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.436397 (E_RNA) where: Base-Base interactions energy: -1946.807 where: short stacking energy: -859.066 Base-Backbone interact. energy: -0.269 local terms energy: -880.360462 where: bonds (distance) C4'-P energy: -151.674 bonds (distance) P-C4' energy: -165.549 flat angles C4'-P-C4' energy: -194.373 flat angles P-C4'-P energy: -125.349 tors. eta vs tors. theta energy: -243.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2705.837672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.837672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.837672 (E_RNA) where: Base-Base interactions energy: -1838.251 where: short stacking energy: -820.479 Base-Backbone interact. energy: -1.598 local terms energy: -865.988599 where: bonds (distance) C4'-P energy: -157.848 bonds (distance) P-C4' energy: -152.006 flat angles C4'-P-C4' energy: -191.505 flat angles P-C4'-P energy: -113.585 tors. eta vs tors. theta energy: -251.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2521.083290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.083290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.083290 (E_RNA) where: Base-Base interactions energy: -1728.311 where: short stacking energy: -746.116 Base-Backbone interact. energy: -1.159 local terms energy: -791.613580 where: bonds (distance) C4'-P energy: -149.876 bonds (distance) P-C4' energy: -138.364 flat angles C4'-P-C4' energy: -181.216 flat angles P-C4'-P energy: -112.059 tors. eta vs tors. theta energy: -210.099 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: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2432.825079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.825079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.825079 (E_RNA) where: Base-Base interactions energy: -1648.911 where: short stacking energy: -743.095 Base-Backbone interact. energy: -1.035 local terms energy: -782.879618 where: bonds (distance) C4'-P energy: -137.576 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -179.279 flat angles P-C4'-P energy: -105.834 tors. eta vs tors. theta energy: -208.790 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: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2280.024451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.024451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.024451 (E_RNA) where: Base-Base interactions energy: -1535.123 where: short stacking energy: -665.581 Base-Backbone interact. energy: -5.340 local terms energy: -739.561456 where: bonds (distance) C4'-P energy: -139.439 bonds (distance) P-C4' energy: -135.896 flat angles C4'-P-C4' energy: -159.435 flat angles P-C4'-P energy: -111.274 tors. eta vs tors. theta energy: -193.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2108.924315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.924315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.924315 (E_RNA) where: Base-Base interactions energy: -1386.111 where: short stacking energy: -603.437 Base-Backbone interact. energy: -1.123 local terms energy: -721.689954 where: bonds (distance) C4'-P energy: -131.463 bonds (distance) P-C4' energy: -160.441 flat angles C4'-P-C4' energy: -168.897 flat angles P-C4'-P energy: -114.486 tors. eta vs tors. theta energy: -146.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1826.589972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.589972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.589972 (E_RNA) where: Base-Base interactions energy: -1208.977 where: short stacking energy: -531.540 Base-Backbone interact. energy: 0.764 local terms energy: -618.376331 where: bonds (distance) C4'-P energy: -119.380 bonds (distance) P-C4' energy: -134.718 flat angles C4'-P-C4' energy: -139.555 flat angles P-C4'-P energy: -99.246 tors. eta vs tors. theta energy: -125.477 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: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1457.983180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.983180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.983180 (E_RNA) where: Base-Base interactions energy: -895.053 where: short stacking energy: -384.422 Base-Backbone interact. energy: -1.437 local terms energy: -561.492486 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -88.109 tors. eta vs tors. theta energy: -79.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1015.342564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.342564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.342564 (E_RNA) where: Base-Base interactions energy: -502.204 where: short stacking energy: -262.003 Base-Backbone interact. energy: 0.188 local terms energy: -513.326117 where: bonds (distance) C4'-P energy: -138.398 bonds (distance) P-C4' energy: -160.492 flat angles C4'-P-C4' energy: -139.140 flat angles P-C4'-P energy: -57.905 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -874.881249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.881249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.881249 (E_RNA) where: Base-Base interactions energy: -471.625 where: short stacking energy: -275.455 Base-Backbone interact. energy: -3.247 local terms energy: -400.009200 where: bonds (distance) C4'-P energy: -118.519 bonds (distance) P-C4' energy: -118.542 flat angles C4'-P-C4' energy: -103.024 flat angles P-C4'-P energy: -62.505 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: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2869.785940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.785940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.785940 (E_RNA) where: Base-Base interactions energy: -1983.121 where: short stacking energy: -865.855 Base-Backbone interact. energy: -4.967 local terms energy: -881.698532 where: bonds (distance) C4'-P energy: -155.478 bonds (distance) P-C4' energy: -169.970 flat angles C4'-P-C4' energy: -173.991 flat angles P-C4'-P energy: -119.093 tors. eta vs tors. theta energy: -263.167 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: 167 Temperature: 0.950000 Total energy: -2631.606885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.606885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.606885 (E_RNA) where: Base-Base interactions energy: -1810.759 where: short stacking energy: -767.870 Base-Backbone interact. energy: -2.449 local terms energy: -818.398752 where: bonds (distance) C4'-P energy: -141.117 bonds (distance) P-C4' energy: -161.700 flat angles C4'-P-C4' energy: -191.301 flat angles P-C4'-P energy: -111.652 tors. eta vs tors. theta energy: -212.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2632.901936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.901936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.901936 (E_RNA) where: Base-Base interactions energy: -1780.250 where: short stacking energy: -749.094 Base-Backbone interact. energy: 1.510 local terms energy: -854.161941 where: bonds (distance) C4'-P energy: -162.031 bonds (distance) P-C4' energy: -169.984 flat angles C4'-P-C4' energy: -188.007 flat angles P-C4'-P energy: -119.478 tors. eta vs tors. theta energy: -214.662 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: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2402.471352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.471352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.471352 (E_RNA) where: Base-Base interactions energy: -1632.664 where: short stacking energy: -714.470 Base-Backbone interact. energy: -4.067 local terms energy: -765.740093 where: bonds (distance) C4'-P energy: -157.987 bonds (distance) P-C4' energy: -142.913 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -116.694 tors. eta vs tors. theta energy: -191.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2242.105346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.105346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.105346 (E_RNA) where: Base-Base interactions energy: -1525.715 where: short stacking energy: -635.191 Base-Backbone interact. energy: -0.750 local terms energy: -715.640657 where: bonds (distance) C4'-P energy: -125.840 bonds (distance) P-C4' energy: -146.006 flat angles C4'-P-C4' energy: -165.239 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -182.822 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: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2068.867900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.867900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.867900 (E_RNA) where: Base-Base interactions energy: -1379.856 where: short stacking energy: -592.953 Base-Backbone interact. energy: 1.792 local terms energy: -690.803991 where: bonds (distance) C4'-P energy: -147.055 bonds (distance) P-C4' energy: -141.485 flat angles C4'-P-C4' energy: -162.724 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -146.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1855.723565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.723565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.723565 (E_RNA) where: Base-Base interactions energy: -1222.040 where: short stacking energy: -548.141 Base-Backbone interact. energy: 1.237 local terms energy: -634.921096 where: bonds (distance) C4'-P energy: -123.115 bonds (distance) P-C4' energy: -153.740 flat angles C4'-P-C4' energy: -142.967 flat angles P-C4'-P energy: -90.679 tors. eta vs tors. theta energy: -124.420 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1460.720585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.720585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.720585 (E_RNA) where: Base-Base interactions energy: -910.582 where: short stacking energy: -440.514 Base-Backbone interact. energy: -3.038 local terms energy: -547.100477 where: bonds (distance) C4'-P energy: -119.930 bonds (distance) P-C4' energy: -128.910 flat angles C4'-P-C4' energy: -136.957 flat angles P-C4'-P energy: -77.886 tors. eta vs tors. theta energy: -83.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -961.833743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.833743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.833743 (E_RNA) where: Base-Base interactions energy: -492.108 where: short stacking energy: -270.057 Base-Backbone interact. energy: -0.257 local terms energy: -469.468875 where: bonds (distance) C4'-P energy: -136.583 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -134.113 flat angles P-C4'-P energy: -64.943 tors. eta vs tors. theta energy: 0.236 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: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -781.145625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.145625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.145625 (E_RNA) where: Base-Base interactions energy: -372.122 where: short stacking energy: -256.166 Base-Backbone interact. energy: 3.160 local terms energy: -412.184058 where: bonds (distance) C4'-P energy: -127.565 bonds (distance) P-C4' energy: -110.000 flat angles C4'-P-C4' energy: -128.797 flat angles P-C4'-P energy: -53.615 tors. eta vs tors. theta energy: 7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2832.082403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.082403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.082403 (E_RNA) where: Base-Base interactions energy: -1936.155 where: short stacking energy: -856.262 Base-Backbone interact. energy: -6.503 local terms energy: -889.424201 where: bonds (distance) C4'-P energy: -160.166 bonds (distance) P-C4' energy: -170.665 flat angles C4'-P-C4' energy: -183.197 flat angles P-C4'-P energy: -119.312 tors. eta vs tors. theta energy: -256.084 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: 168 Temperature: 0.950000 Total energy: -2660.242645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.242645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.242645 (E_RNA) where: Base-Base interactions energy: -1803.208 where: short stacking energy: -769.409 Base-Backbone interact. energy: -0.958 local terms energy: -856.076349 where: bonds (distance) C4'-P energy: -165.000 bonds (distance) P-C4' energy: -169.553 flat angles C4'-P-C4' energy: -176.646 flat angles P-C4'-P energy: -129.010 tors. eta vs tors. theta energy: -215.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2644.020244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.020244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.020244 (E_RNA) where: Base-Base interactions energy: -1784.621 where: short stacking energy: -764.976 Base-Backbone interact. energy: -2.791 local terms energy: -856.608600 where: bonds (distance) C4'-P energy: -146.505 bonds (distance) P-C4' energy: -157.427 flat angles C4'-P-C4' energy: -179.240 flat angles P-C4'-P energy: -134.637 tors. eta vs tors. theta energy: -238.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2394.712914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.712914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.712914 (E_RNA) where: Base-Base interactions energy: -1602.046 where: short stacking energy: -691.799 Base-Backbone interact. energy: -4.933 local terms energy: -787.734619 where: bonds (distance) C4'-P energy: -154.321 bonds (distance) P-C4' energy: -159.603 flat angles C4'-P-C4' energy: -171.475 flat angles P-C4'-P energy: -114.443 tors. eta vs tors. theta energy: -187.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2253.174004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.174004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.174004 (E_RNA) where: Base-Base interactions energy: -1495.400 where: short stacking energy: -631.212 Base-Backbone interact. energy: -3.683 local terms energy: -754.090560 where: bonds (distance) C4'-P energy: -157.945 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -161.765 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -177.379 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: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2134.792924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.792924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.792924 (E_RNA) where: Base-Base interactions energy: -1427.296 where: short stacking energy: -588.515 Base-Backbone interact. energy: -2.424 local terms energy: -705.072746 where: bonds (distance) C4'-P energy: -135.788 bonds (distance) P-C4' energy: -145.289 flat angles C4'-P-C4' energy: -168.733 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -152.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1884.448806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.448806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.448806 (E_RNA) where: Base-Base interactions energy: -1235.041 where: short stacking energy: -526.384 Base-Backbone interact. energy: -4.712 local terms energy: -644.696040 where: bonds (distance) C4'-P energy: -146.071 bonds (distance) P-C4' energy: -143.461 flat angles C4'-P-C4' energy: -150.175 flat angles P-C4'-P energy: -89.555 tors. eta vs tors. theta energy: -115.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1472.868352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.868352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.868352 (E_RNA) where: Base-Base interactions energy: -925.920 where: short stacking energy: -437.458 Base-Backbone interact. energy: 2.133 local terms energy: -549.081692 where: bonds (distance) C4'-P energy: -144.443 bonds (distance) P-C4' energy: -119.714 flat angles C4'-P-C4' energy: -120.931 flat angles P-C4'-P energy: -80.072 tors. eta vs tors. theta energy: -83.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1022.070582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.070582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.070582 (E_RNA) where: Base-Base interactions energy: -504.234 where: short stacking energy: -276.765 Base-Backbone interact. energy: -4.812 local terms energy: -513.024428 where: bonds (distance) C4'-P energy: -140.124 bonds (distance) P-C4' energy: -124.836 flat angles C4'-P-C4' energy: -136.257 flat angles P-C4'-P energy: -100.490 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: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -787.308777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.308777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.308777 (E_RNA) where: Base-Base interactions energy: -388.131 where: short stacking energy: -216.154 Base-Backbone interact. energy: 8.483 local terms energy: -407.660498 where: bonds (distance) C4'-P energy: -114.735 bonds (distance) P-C4' energy: -143.314 flat angles C4'-P-C4' energy: -105.044 flat angles P-C4'-P energy: -66.383 tors. eta vs tors. theta energy: 21.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2845.207581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.207581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.207581 (E_RNA) where: Base-Base interactions energy: -1949.838 where: short stacking energy: -850.838 Base-Backbone interact. energy: -0.994 local terms energy: -894.375619 where: bonds (distance) C4'-P energy: -160.747 bonds (distance) P-C4' energy: -161.707 flat angles C4'-P-C4' energy: -193.836 flat angles P-C4'-P energy: -118.639 tors. eta vs tors. theta energy: -259.447 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2732.644273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.644273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.644273 (E_RNA) where: Base-Base interactions energy: -1869.966 where: short stacking energy: -819.003 Base-Backbone interact. energy: -2.375 local terms energy: -860.302909 where: bonds (distance) C4'-P energy: -157.369 bonds (distance) P-C4' energy: -159.082 flat angles C4'-P-C4' energy: -187.942 flat angles P-C4'-P energy: -120.272 tors. eta vs tors. theta energy: -235.639 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: 169 Temperature: 1.000000 Total energy: -2580.949851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.949851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.949851 (E_RNA) where: Base-Base interactions energy: -1790.652 where: short stacking energy: -765.573 Base-Backbone interact. energy: 0.415 local terms energy: -790.712613 where: bonds (distance) C4'-P energy: -132.163 bonds (distance) P-C4' energy: -155.406 flat angles C4'-P-C4' energy: -167.072 flat angles P-C4'-P energy: -114.208 tors. eta vs tors. theta energy: -221.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2392.479566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.479566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.479566 (E_RNA) where: Base-Base interactions energy: -1615.521 where: short stacking energy: -721.977 Base-Backbone interact. energy: 7.561 local terms energy: -784.519407 where: bonds (distance) C4'-P energy: -159.183 bonds (distance) P-C4' energy: -144.838 flat angles C4'-P-C4' energy: -182.110 flat angles P-C4'-P energy: -94.728 tors. eta vs tors. theta energy: -203.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2277.522036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.522036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.522036 (E_RNA) where: Base-Base interactions energy: -1538.607 where: short stacking energy: -653.492 Base-Backbone interact. energy: -7.592 local terms energy: -731.323191 where: bonds (distance) C4'-P energy: -134.826 bonds (distance) P-C4' energy: -160.686 flat angles C4'-P-C4' energy: -162.010 flat angles P-C4'-P energy: -98.725 tors. eta vs tors. theta energy: -175.075 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: 169 Temperature: 1.150000 Total energy: -2145.200466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.200466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.200466 (E_RNA) where: Base-Base interactions energy: -1436.663 where: short stacking energy: -588.847 Base-Backbone interact. energy: -0.579 local terms energy: -707.958443 where: bonds (distance) C4'-P energy: -127.275 bonds (distance) P-C4' energy: -150.991 flat angles C4'-P-C4' energy: -154.027 flat angles P-C4'-P energy: -122.393 tors. eta vs tors. theta energy: -153.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1855.391555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.391555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.391555 (E_RNA) where: Base-Base interactions energy: -1203.329 where: short stacking energy: -529.076 Base-Backbone interact. energy: -1.831 local terms energy: -650.231336 where: bonds (distance) C4'-P energy: -138.807 bonds (distance) P-C4' energy: -138.822 flat angles C4'-P-C4' energy: -139.644 flat angles P-C4'-P energy: -105.014 tors. eta vs tors. theta energy: -127.945 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: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1382.098959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.098959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.098959 (E_RNA) where: Base-Base interactions energy: -872.938 where: short stacking energy: -427.534 Base-Backbone interact. energy: -0.111 local terms energy: -509.050599 where: bonds (distance) C4'-P energy: -107.986 bonds (distance) P-C4' energy: -130.954 flat angles C4'-P-C4' energy: -128.990 flat angles P-C4'-P energy: -77.237 tors. eta vs tors. theta energy: -63.884 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: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1052.018135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.018135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.018135 (E_RNA) where: Base-Base interactions energy: -540.533 where: short stacking energy: -316.732 Base-Backbone interact. energy: 2.266 local terms energy: -513.751266 where: bonds (distance) C4'-P energy: -139.784 bonds (distance) P-C4' energy: -134.408 flat angles C4'-P-C4' energy: -124.549 flat angles P-C4'-P energy: -90.643 tors. eta vs tors. theta energy: -24.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -796.444199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.444199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.444199 (E_RNA) where: Base-Base interactions energy: -337.904 where: short stacking energy: -198.083 Base-Backbone interact. energy: -0.291 local terms energy: -458.249311 where: bonds (distance) C4'-P energy: -140.884 bonds (distance) P-C4' energy: -150.527 flat angles C4'-P-C4' energy: -122.168 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: 8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2863.665492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.665492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.665492 (E_RNA) where: Base-Base interactions energy: -1980.219 where: short stacking energy: -839.003 Base-Backbone interact. energy: -4.681 local terms energy: -878.765044 where: bonds (distance) C4'-P energy: -169.223 bonds (distance) P-C4' energy: -164.080 flat angles C4'-P-C4' energy: -185.604 flat angles P-C4'-P energy: -115.111 tors. eta vs tors. theta energy: -244.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2708.343529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.343529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.343529 (E_RNA) where: Base-Base interactions energy: -1901.707 where: short stacking energy: -745.995 Base-Backbone interact. energy: -3.903 local terms energy: -802.733491 where: bonds (distance) C4'-P energy: -146.875 bonds (distance) P-C4' energy: -149.400 flat angles C4'-P-C4' energy: -168.232 flat angles P-C4'-P energy: -114.799 tors. eta vs tors. theta energy: -223.428 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: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2572.406684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.406684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.406684 (E_RNA) where: Base-Base interactions energy: -1750.267 where: short stacking energy: -737.639 Base-Backbone interact. energy: 1.538 local terms energy: -823.677497 where: bonds (distance) C4'-P energy: -162.516 bonds (distance) P-C4' energy: -153.293 flat angles C4'-P-C4' energy: -182.203 flat angles P-C4'-P energy: -110.928 tors. eta vs tors. theta energy: -214.737 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: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2462.512606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.512606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.512606 (E_RNA) where: Base-Base interactions energy: -1619.815 where: short stacking energy: -727.583 Base-Backbone interact. energy: -4.487 local terms energy: -838.209792 where: bonds (distance) C4'-P energy: -161.033 bonds (distance) P-C4' energy: -166.626 flat angles C4'-P-C4' energy: -175.149 flat angles P-C4'-P energy: -122.529 tors. eta vs tors. theta energy: -212.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2256.557771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.557771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.557771 (E_RNA) where: Base-Base interactions energy: -1504.373 where: short stacking energy: -657.497 Base-Backbone interact. energy: -1.636 local terms energy: -750.548470 where: bonds (distance) C4'-P energy: -146.633 bonds (distance) P-C4' energy: -151.492 flat angles C4'-P-C4' energy: -154.185 flat angles P-C4'-P energy: -109.490 tors. eta vs tors. theta energy: -188.748 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: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2171.148791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.148791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.148791 (E_RNA) where: Base-Base interactions energy: -1479.354 where: short stacking energy: -592.727 Base-Backbone interact. energy: 0.749 local terms energy: -692.543188 where: bonds (distance) C4'-P energy: -139.069 bonds (distance) P-C4' energy: -146.362 flat angles C4'-P-C4' energy: -159.537 flat angles P-C4'-P energy: -91.895 tors. eta vs tors. theta energy: -155.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1858.528354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.528354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.528354 (E_RNA) where: Base-Base interactions energy: -1243.062 where: short stacking energy: -543.109 Base-Backbone interact. energy: -1.344 local terms energy: -614.121448 where: bonds (distance) C4'-P energy: -124.162 bonds (distance) P-C4' energy: -130.907 flat angles C4'-P-C4' energy: -142.792 flat angles P-C4'-P energy: -90.775 tors. eta vs tors. theta energy: -125.485 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: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1400.546976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.546976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.546976 (E_RNA) where: Base-Base interactions energy: -847.026 where: short stacking energy: -392.029 Base-Backbone interact. energy: -2.990 local terms energy: -550.530665 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -173.091 flat angles C4'-P-C4' energy: -139.587 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -46.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -983.544163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.544163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.544163 (E_RNA) where: Base-Base interactions energy: -496.701 where: short stacking energy: -272.459 Base-Backbone interact. energy: 3.751 local terms energy: -490.594433 where: bonds (distance) C4'-P energy: -147.382 bonds (distance) P-C4' energy: -134.943 flat angles C4'-P-C4' energy: -120.000 flat angles P-C4'-P energy: -75.483 tors. eta vs tors. theta energy: -12.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -795.690692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.690692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.690692 (E_RNA) where: Base-Base interactions energy: -336.958 where: short stacking energy: -224.582 Base-Backbone interact. energy: -3.728 local terms energy: -455.005126 where: bonds (distance) C4'-P energy: -136.957 bonds (distance) P-C4' energy: -136.294 flat angles C4'-P-C4' energy: -128.803 flat angles P-C4'-P energy: -54.016 tors. eta vs tors. theta energy: 1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2819.780767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.780767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.780767 (E_RNA) where: Base-Base interactions energy: -1886.639 where: short stacking energy: -828.040 Base-Backbone interact. energy: -7.745 local terms energy: -925.396320 where: bonds (distance) C4'-P energy: -178.469 bonds (distance) P-C4' energy: -169.686 flat angles C4'-P-C4' energy: -200.454 flat angles P-C4'-P energy: -121.652 tors. eta vs tors. theta energy: -255.135 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: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2729.760774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.760774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.760774 (E_RNA) where: Base-Base interactions energy: -1884.657 where: short stacking energy: -773.483 Base-Backbone interact. energy: -8.742 local terms energy: -836.361685 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -159.960 flat angles C4'-P-C4' energy: -186.096 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -225.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2533.422894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.422894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.422894 (E_RNA) where: Base-Base interactions energy: -1736.108 where: short stacking energy: -702.589 Base-Backbone interact. energy: -7.429 local terms energy: -789.885857 where: bonds (distance) C4'-P energy: -159.027 bonds (distance) P-C4' energy: -159.348 flat angles C4'-P-C4' energy: -171.414 flat angles P-C4'-P energy: -110.318 tors. eta vs tors. theta energy: -189.779 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: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2485.397934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.397934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.397934 (E_RNA) where: Base-Base interactions energy: -1695.906 where: short stacking energy: -728.016 Base-Backbone interact. energy: -4.642 local terms energy: -784.850198 where: bonds (distance) C4'-P energy: -141.962 bonds (distance) P-C4' energy: -148.770 flat angles C4'-P-C4' energy: -165.898 flat angles P-C4'-P energy: -125.805 tors. eta vs tors. theta energy: -202.415 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: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2232.008582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.008582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.008582 (E_RNA) where: Base-Base interactions energy: -1513.145 where: short stacking energy: -637.288 Base-Backbone interact. energy: -2.710 local terms energy: -716.153599 where: bonds (distance) C4'-P energy: -154.853 bonds (distance) P-C4' energy: -155.105 flat angles C4'-P-C4' energy: -158.400 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -170.515 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2109.196341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.196341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.196341 (E_RNA) where: Base-Base interactions energy: -1420.406 where: short stacking energy: -579.098 Base-Backbone interact. energy: 0.994 local terms energy: -689.784364 where: bonds (distance) C4'-P energy: -130.743 bonds (distance) P-C4' energy: -148.486 flat angles C4'-P-C4' energy: -152.088 flat angles P-C4'-P energy: -103.126 tors. eta vs tors. theta energy: -155.341 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: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1808.475707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.475707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.475707 (E_RNA) where: Base-Base interactions energy: -1200.367 where: short stacking energy: -513.210 Base-Backbone interact. energy: -3.466 local terms energy: -604.642950 where: bonds (distance) C4'-P energy: -126.975 bonds (distance) P-C4' energy: -138.536 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -79.890 tors. eta vs tors. theta energy: -108.853 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: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1463.781135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.781135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.781135 (E_RNA) where: Base-Base interactions energy: -901.482 where: short stacking energy: -397.954 Base-Backbone interact. energy: 1.968 local terms energy: -564.267568 where: bonds (distance) C4'-P energy: -138.699 bonds (distance) P-C4' energy: -150.478 flat angles C4'-P-C4' energy: -133.996 flat angles P-C4'-P energy: -65.726 tors. eta vs tors. theta energy: -75.368 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: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -962.900386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.900386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.900386 (E_RNA) where: Base-Base interactions energy: -486.126 where: short stacking energy: -255.134 Base-Backbone interact. energy: -0.458 local terms energy: -476.316089 where: bonds (distance) C4'-P energy: -120.523 bonds (distance) P-C4' energy: -152.032 flat angles C4'-P-C4' energy: -134.184 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: -8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -803.584416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.584416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.584416 (E_RNA) where: Base-Base interactions energy: -397.237 where: short stacking energy: -217.401 Base-Backbone interact. energy: -2.355 local terms energy: -403.992617 where: bonds (distance) C4'-P energy: -109.178 bonds (distance) P-C4' energy: -131.857 flat angles C4'-P-C4' energy: -102.000 flat angles P-C4'-P energy: -75.161 tors. eta vs tors. theta energy: 14.204 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2848.439232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.439232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.439232 (E_RNA) where: Base-Base interactions energy: -1960.440 where: short stacking energy: -842.787 Base-Backbone interact. energy: -2.329 local terms energy: -885.670095 where: bonds (distance) C4'-P energy: -164.563 bonds (distance) P-C4' energy: -167.254 flat angles C4'-P-C4' energy: -182.518 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -261.407 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: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2732.998808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.998808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.998808 (E_RNA) where: Base-Base interactions energy: -1881.278 where: short stacking energy: -808.568 Base-Backbone interact. energy: -2.529 local terms energy: -849.191121 where: bonds (distance) C4'-P energy: -153.586 bonds (distance) P-C4' energy: -148.297 flat angles C4'-P-C4' energy: -181.745 flat angles P-C4'-P energy: -122.976 tors. eta vs tors. theta energy: -242.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2548.388540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.388540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.388540 (E_RNA) where: Base-Base interactions energy: -1769.655 where: short stacking energy: -768.652 Base-Backbone interact. energy: -3.128 local terms energy: -775.605740 where: bonds (distance) C4'-P energy: -147.530 bonds (distance) P-C4' energy: -159.720 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -100.046 tors. eta vs tors. theta energy: -221.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2460.124735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.124735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.124735 (E_RNA) where: Base-Base interactions energy: -1668.410 where: short stacking energy: -702.684 Base-Backbone interact. energy: -1.200 local terms energy: -790.514812 where: bonds (distance) C4'-P energy: -149.028 bonds (distance) P-C4' energy: -164.746 flat angles C4'-P-C4' energy: -170.979 flat angles P-C4'-P energy: -113.634 tors. eta vs tors. theta energy: -192.128 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: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2283.229998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.229998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.229998 (E_RNA) where: Base-Base interactions energy: -1529.029 where: short stacking energy: -636.183 Base-Backbone interact. energy: -4.046 local terms energy: -750.154439 where: bonds (distance) C4'-P energy: -135.067 bonds (distance) P-C4' energy: -158.422 flat angles C4'-P-C4' energy: -163.943 flat angles P-C4'-P energy: -104.439 tors. eta vs tors. theta energy: -188.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2109.744029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.744029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.744029 (E_RNA) where: Base-Base interactions energy: -1433.065 where: short stacking energy: -574.972 Base-Backbone interact. energy: -3.413 local terms energy: -673.266264 where: bonds (distance) C4'-P energy: -126.912 bonds (distance) P-C4' energy: -137.518 flat angles C4'-P-C4' energy: -154.485 flat angles P-C4'-P energy: -96.521 tors. eta vs tors. theta energy: -157.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1716.356568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.356568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.356568 (E_RNA) where: Base-Base interactions energy: -1097.980 where: short stacking energy: -479.544 Base-Backbone interact. energy: -1.518 local terms energy: -616.858932 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -142.393 flat angles C4'-P-C4' energy: -159.295 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -98.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1429.488826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.488826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.488826 (E_RNA) where: Base-Base interactions energy: -893.276 where: short stacking energy: -441.849 Base-Backbone interact. energy: -1.434 local terms energy: -534.779139 where: bonds (distance) C4'-P energy: -125.321 bonds (distance) P-C4' energy: -144.691 flat angles C4'-P-C4' energy: -117.795 flat angles P-C4'-P energy: -64.814 tors. eta vs tors. theta energy: -82.158 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: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -946.449013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.449013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.449013 (E_RNA) where: Base-Base interactions energy: -493.460 where: short stacking energy: -255.304 Base-Backbone interact. energy: 0.561 local terms energy: -453.550140 where: bonds (distance) C4'-P energy: -131.739 bonds (distance) P-C4' energy: -135.484 flat angles C4'-P-C4' energy: -116.228 flat angles P-C4'-P energy: -73.434 tors. eta vs tors. theta energy: 3.335 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: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -823.644404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.644404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.644404 (E_RNA) where: Base-Base interactions energy: -393.964 where: short stacking energy: -219.924 Base-Backbone interact. energy: -2.120 local terms energy: -427.560522 where: bonds (distance) C4'-P energy: -127.551 bonds (distance) P-C4' energy: -153.664 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: 20.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2804.612568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.612568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.612568 (E_RNA) where: Base-Base interactions energy: -1921.310 where: short stacking energy: -803.102 Base-Backbone interact. energy: -6.834 local terms energy: -876.468458 where: bonds (distance) C4'-P energy: -156.211 bonds (distance) P-C4' energy: -158.546 flat angles C4'-P-C4' energy: -195.887 flat angles P-C4'-P energy: -124.114 tors. eta vs tors. theta energy: -241.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2725.617122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.617122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.617122 (E_RNA) where: Base-Base interactions energy: -1895.001 where: short stacking energy: -807.876 Base-Backbone interact. energy: 3.595 local terms energy: -834.210775 where: bonds (distance) C4'-P energy: -154.102 bonds (distance) P-C4' energy: -142.015 flat angles C4'-P-C4' energy: -181.791 flat angles P-C4'-P energy: -126.711 tors. eta vs tors. theta energy: -229.592 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: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2620.654065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.654065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.654065 (E_RNA) where: Base-Base interactions energy: -1760.818 where: short stacking energy: -726.955 Base-Backbone interact. energy: -1.830 local terms energy: -858.006206 where: bonds (distance) C4'-P energy: -163.300 bonds (distance) P-C4' energy: -174.906 flat angles C4'-P-C4' energy: -185.633 flat angles P-C4'-P energy: -127.518 tors. eta vs tors. theta energy: -206.649 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: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2468.185475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.185475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.185475 (E_RNA) where: Base-Base interactions energy: -1685.446 where: short stacking energy: -715.850 Base-Backbone interact. energy: 0.621 local terms energy: -783.360688 where: bonds (distance) C4'-P energy: -147.435 bonds (distance) P-C4' energy: -147.186 flat angles C4'-P-C4' energy: -182.840 flat angles P-C4'-P energy: -119.995 tors. eta vs tors. theta energy: -185.904 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: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2241.680977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.680977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.680977 (E_RNA) where: Base-Base interactions energy: -1497.067 where: short stacking energy: -645.669 Base-Backbone interact. energy: -0.698 local terms energy: -743.915797 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -141.653 flat angles C4'-P-C4' energy: -163.230 flat angles P-C4'-P energy: -109.472 tors. eta vs tors. theta energy: -178.853 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: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2162.842717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.842717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.842717 (E_RNA) where: Base-Base interactions energy: -1472.126 where: short stacking energy: -622.639 Base-Backbone interact. energy: 2.069 local terms energy: -692.785159 where: bonds (distance) C4'-P energy: -135.272 bonds (distance) P-C4' energy: -150.629 flat angles C4'-P-C4' energy: -152.431 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -155.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1721.903938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.903938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.903938 (E_RNA) where: Base-Base interactions energy: -1112.951 where: short stacking energy: -481.410 Base-Backbone interact. energy: -0.337 local terms energy: -608.616002 where: bonds (distance) C4'-P energy: -136.836 bonds (distance) P-C4' energy: -126.183 flat angles C4'-P-C4' energy: -151.242 flat angles P-C4'-P energy: -93.646 tors. eta vs tors. theta energy: -100.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1595.335986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.335986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.335986 (E_RNA) where: Base-Base interactions energy: -999.005 where: short stacking energy: -472.497 Base-Backbone interact. energy: -1.682 local terms energy: -594.648593 where: bonds (distance) C4'-P energy: -144.716 bonds (distance) P-C4' energy: -141.994 flat angles C4'-P-C4' energy: -136.296 flat angles P-C4'-P energy: -75.079 tors. eta vs tors. theta energy: -96.564 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: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -903.836548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.836548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.836548 (E_RNA) where: Base-Base interactions energy: -449.548 where: short stacking energy: -254.359 Base-Backbone interact. energy: -4.356 local terms energy: -449.932754 where: bonds (distance) C4'-P energy: -142.826 bonds (distance) P-C4' energy: -153.292 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: 6.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -884.744869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.744869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.744869 (E_RNA) where: Base-Base interactions energy: -460.622 where: short stacking energy: -278.236 Base-Backbone interact. energy: 3.763 local terms energy: -427.884989 where: bonds (distance) C4'-P energy: -114.670 bonds (distance) P-C4' energy: -113.404 flat angles C4'-P-C4' energy: -108.047 flat angles P-C4'-P energy: -78.304 tors. eta vs tors. theta energy: -13.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2839.109239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.109239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.109239 (E_RNA) where: Base-Base interactions energy: -1939.932 where: short stacking energy: -840.057 Base-Backbone interact. energy: -5.596 local terms energy: -893.581513 where: bonds (distance) C4'-P energy: -153.508 bonds (distance) P-C4' energy: -168.654 flat angles C4'-P-C4' energy: -191.110 flat angles P-C4'-P energy: -125.796 tors. eta vs tors. theta energy: -254.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2706.604339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.604339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.604339 (E_RNA) where: Base-Base interactions energy: -1848.439 where: short stacking energy: -773.341 Base-Backbone interact. energy: -4.508 local terms energy: -853.657437 where: bonds (distance) C4'-P energy: -149.156 bonds (distance) P-C4' energy: -164.109 flat angles C4'-P-C4' energy: -178.807 flat angles P-C4'-P energy: -115.310 tors. eta vs tors. theta energy: -246.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2604.214986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.214986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.214986 (E_RNA) where: Base-Base interactions energy: -1799.078 where: short stacking energy: -760.006 Base-Backbone interact. energy: 0.586 local terms energy: -805.723061 where: bonds (distance) C4'-P energy: -158.327 bonds (distance) P-C4' energy: -146.149 flat angles C4'-P-C4' energy: -183.272 flat angles P-C4'-P energy: -116.559 tors. eta vs tors. theta energy: -201.415 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: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2443.912722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.912722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.912722 (E_RNA) where: Base-Base interactions energy: -1640.996 where: short stacking energy: -706.075 Base-Backbone interact. energy: -3.853 local terms energy: -799.063997 where: bonds (distance) C4'-P energy: -164.990 bonds (distance) P-C4' energy: -172.911 flat angles C4'-P-C4' energy: -175.507 flat angles P-C4'-P energy: -98.974 tors. eta vs tors. theta energy: -186.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2222.823906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.823906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.823906 (E_RNA) where: Base-Base interactions energy: -1505.497 where: short stacking energy: -638.052 Base-Backbone interact. energy: -1.355 local terms energy: -715.971739 where: bonds (distance) C4'-P energy: -146.141 bonds (distance) P-C4' energy: -139.912 flat angles C4'-P-C4' energy: -163.602 flat angles P-C4'-P energy: -89.455 tors. eta vs tors. theta energy: -176.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2161.087568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.087568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.087568 (E_RNA) where: Base-Base interactions energy: -1493.298 where: short stacking energy: -646.676 Base-Backbone interact. energy: 1.915 local terms energy: -669.704041 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -155.050 flat angles C4'-P-C4' energy: -158.136 flat angles P-C4'-P energy: -71.020 tors. eta vs tors. theta energy: -140.201 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: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1780.129104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.129104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.129104 (E_RNA) where: Base-Base interactions energy: -1140.585 where: short stacking energy: -537.029 Base-Backbone interact. energy: 0.409 local terms energy: -639.952578 where: bonds (distance) C4'-P energy: -137.583 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -161.641 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -109.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1463.793281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.793281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.793281 (E_RNA) where: Base-Base interactions energy: -923.465 where: short stacking energy: -423.882 Base-Backbone interact. energy: 1.047 local terms energy: -541.375502 where: bonds (distance) C4'-P energy: -118.134 bonds (distance) P-C4' energy: -131.081 flat angles C4'-P-C4' energy: -135.673 flat angles P-C4'-P energy: -86.513 tors. eta vs tors. theta energy: -69.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -998.916176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.916176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.916176 (E_RNA) where: Base-Base interactions energy: -525.439 where: short stacking energy: -294.271 Base-Backbone interact. energy: -1.704 local terms energy: -471.773256 where: bonds (distance) C4'-P energy: -141.539 bonds (distance) P-C4' energy: -131.718 flat angles C4'-P-C4' energy: -117.898 flat angles P-C4'-P energy: -62.177 tors. eta vs tors. theta energy: -18.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -838.700448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.700448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.700448 (E_RNA) where: Base-Base interactions energy: -409.804 where: short stacking energy: -220.067 Base-Backbone interact. energy: 1.349 local terms energy: -430.245398 where: bonds (distance) C4'-P energy: -134.743 bonds (distance) P-C4' energy: -136.081 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -77.729 tors. eta vs tors. theta energy: 33.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2848.511237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.511237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.511237 (E_RNA) where: Base-Base interactions energy: -1937.621 where: short stacking energy: -831.256 Base-Backbone interact. energy: -4.772 local terms energy: -906.118290 where: bonds (distance) C4'-P energy: -167.362 bonds (distance) P-C4' energy: -173.628 flat angles C4'-P-C4' energy: -189.521 flat angles P-C4'-P energy: -118.835 tors. eta vs tors. theta energy: -256.772 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: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2673.900019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.900019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.900019 (E_RNA) where: Base-Base interactions energy: -1822.177 where: short stacking energy: -772.185 Base-Backbone interact. energy: -5.180 local terms energy: -846.542641 where: bonds (distance) C4'-P energy: -151.537 bonds (distance) P-C4' energy: -157.242 flat angles C4'-P-C4' energy: -181.297 flat angles P-C4'-P energy: -127.987 tors. eta vs tors. theta energy: -228.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2573.597369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.597369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.597369 (E_RNA) where: Base-Base interactions energy: -1766.562 where: short stacking energy: -719.301 Base-Backbone interact. energy: -4.810 local terms energy: -802.224707 where: bonds (distance) C4'-P energy: -151.000 bonds (distance) P-C4' energy: -148.576 flat angles C4'-P-C4' energy: -179.615 flat angles P-C4'-P energy: -114.926 tors. eta vs tors. theta energy: -208.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2452.686733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.686733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.686733 (E_RNA) where: Base-Base interactions energy: -1680.280 where: short stacking energy: -699.989 Base-Backbone interact. energy: 1.301 local terms energy: -773.707382 where: bonds (distance) C4'-P energy: -148.507 bonds (distance) P-C4' energy: -153.714 flat angles C4'-P-C4' energy: -176.379 flat angles P-C4'-P energy: -108.297 tors. eta vs tors. theta energy: -186.811 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: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2206.622174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.622174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.622174 (E_RNA) where: Base-Base interactions energy: -1468.652 where: short stacking energy: -620.796 Base-Backbone interact. energy: -3.791 local terms energy: -734.179307 where: bonds (distance) C4'-P energy: -163.730 bonds (distance) P-C4' energy: -149.182 flat angles C4'-P-C4' energy: -137.520 flat angles P-C4'-P energy: -85.284 tors. eta vs tors. theta energy: -198.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2219.490077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.490077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.490077 (E_RNA) where: Base-Base interactions energy: -1480.978 where: short stacking energy: -622.631 Base-Backbone interact. energy: 2.386 local terms energy: -740.898097 where: bonds (distance) C4'-P energy: -153.251 bonds (distance) P-C4' energy: -149.894 flat angles C4'-P-C4' energy: -157.345 flat angles P-C4'-P energy: -102.315 tors. eta vs tors. theta energy: -178.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1810.826133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.826133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.826133 (E_RNA) where: Base-Base interactions energy: -1163.647 where: short stacking energy: -528.402 Base-Backbone interact. energy: -0.754 local terms energy: -646.425530 where: bonds (distance) C4'-P energy: -140.338 bonds (distance) P-C4' energy: -122.634 flat angles C4'-P-C4' energy: -153.637 flat angles P-C4'-P energy: -111.363 tors. eta vs tors. theta energy: -118.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1513.001059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.001059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.001059 (E_RNA) where: Base-Base interactions energy: -928.588 where: short stacking energy: -444.614 Base-Backbone interact. energy: 7.517 local terms energy: -591.929761 where: bonds (distance) C4'-P energy: -133.117 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -132.808 flat angles P-C4'-P energy: -81.417 tors. eta vs tors. theta energy: -93.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -949.308560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.308560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.308560 (E_RNA) where: Base-Base interactions energy: -494.059 where: short stacking energy: -246.899 Base-Backbone interact. energy: -4.332 local terms energy: -450.916946 where: bonds (distance) C4'-P energy: -130.862 bonds (distance) P-C4' energy: -145.186 flat angles C4'-P-C4' energy: -110.363 flat angles P-C4'-P energy: -76.571 tors. eta vs tors. theta energy: 12.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -891.662022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.662022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.662022 (E_RNA) where: Base-Base interactions energy: -483.188 where: short stacking energy: -233.090 Base-Backbone interact. energy: 4.511 local terms energy: -412.984497 where: bonds (distance) C4'-P energy: -123.428 bonds (distance) P-C4' energy: -141.972 flat angles C4'-P-C4' energy: -109.454 flat angles P-C4'-P energy: -59.957 tors. eta vs tors. theta energy: 21.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2842.582134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.582134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.582134 (E_RNA) where: Base-Base interactions energy: -1943.647 where: short stacking energy: -837.952 Base-Backbone interact. energy: -6.279 local terms energy: -892.655191 where: bonds (distance) C4'-P energy: -176.098 bonds (distance) P-C4' energy: -163.409 flat angles C4'-P-C4' energy: -193.208 flat angles P-C4'-P energy: -117.499 tors. eta vs tors. theta energy: -242.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2716.174684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.174684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.174684 (E_RNA) where: Base-Base interactions energy: -1829.886 where: short stacking energy: -766.532 Base-Backbone interact. energy: -5.059 local terms energy: -881.229438 where: bonds (distance) C4'-P energy: -155.355 bonds (distance) P-C4' energy: -172.110 flat angles C4'-P-C4' energy: -190.968 flat angles P-C4'-P energy: -132.482 tors. eta vs tors. theta energy: -230.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2565.752044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.752044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.752044 (E_RNA) where: Base-Base interactions energy: -1786.821 where: short stacking energy: -727.775 Base-Backbone interact. energy: -3.617 local terms energy: -775.314053 where: bonds (distance) C4'-P energy: -143.219 bonds (distance) P-C4' energy: -156.176 flat angles C4'-P-C4' energy: -167.878 flat angles P-C4'-P energy: -110.628 tors. eta vs tors. theta energy: -197.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2469.275607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.275607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.275607 (E_RNA) where: Base-Base interactions energy: -1702.145 where: short stacking energy: -732.648 Base-Backbone interact. energy: 0.304 local terms energy: -767.435219 where: bonds (distance) C4'-P energy: -127.683 bonds (distance) P-C4' energy: -146.655 flat angles C4'-P-C4' energy: -173.952 flat angles P-C4'-P energy: -120.431 tors. eta vs tors. theta energy: -198.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2249.259841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.259841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.259841 (E_RNA) where: Base-Base interactions energy: -1530.427 where: short stacking energy: -642.418 Base-Backbone interact. energy: 0.030 local terms energy: -718.863329 where: bonds (distance) C4'-P energy: -128.070 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -176.905 flat angles P-C4'-P energy: -94.886 tors. eta vs tors. theta energy: -165.151 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: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2127.490943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.490943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.490943 (E_RNA) where: Base-Base interactions energy: -1426.148 where: short stacking energy: -606.272 Base-Backbone interact. energy: 2.065 local terms energy: -703.407170 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -156.019 flat angles P-C4'-P energy: -87.975 tors. eta vs tors. theta energy: -155.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1831.935833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.935833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.935833 (E_RNA) where: Base-Base interactions energy: -1182.686 where: short stacking energy: -502.232 Base-Backbone interact. energy: -3.066 local terms energy: -646.183510 where: bonds (distance) C4'-P energy: -135.355 bonds (distance) P-C4' energy: -143.203 flat angles C4'-P-C4' energy: -142.910 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -126.808 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: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1578.012666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.012666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.012666 (E_RNA) where: Base-Base interactions energy: -988.477 where: short stacking energy: -450.873 Base-Backbone interact. energy: 5.859 local terms energy: -595.395001 where: bonds (distance) C4'-P energy: -144.761 bonds (distance) P-C4' energy: -127.227 flat angles C4'-P-C4' energy: -151.463 flat angles P-C4'-P energy: -86.251 tors. eta vs tors. theta energy: -85.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -965.830559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.830559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.830559 (E_RNA) where: Base-Base interactions energy: -500.668 where: short stacking energy: -286.691 Base-Backbone interact. energy: 3.001 local terms energy: -468.163845 where: bonds (distance) C4'-P energy: -139.730 bonds (distance) P-C4' energy: -135.590 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: -6.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -845.329391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.329391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.329391 (E_RNA) where: Base-Base interactions energy: -399.822 where: short stacking energy: -209.575 Base-Backbone interact. energy: 4.454 local terms energy: -449.961401 where: bonds (distance) C4'-P energy: -136.550 bonds (distance) P-C4' energy: -152.751 flat angles C4'-P-C4' energy: -119.732 flat angles P-C4'-P energy: -60.087 tors. eta vs tors. theta energy: 19.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2840.512332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.512332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.512332 (E_RNA) where: Base-Base interactions energy: -1967.294 where: short stacking energy: -854.607 Base-Backbone interact. energy: -6.936 local terms energy: -866.282560 where: bonds (distance) C4'-P energy: -154.260 bonds (distance) P-C4' energy: -159.943 flat angles C4'-P-C4' energy: -183.017 flat angles P-C4'-P energy: -114.608 tors. eta vs tors. theta energy: -254.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2733.555116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.555116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.555116 (E_RNA) where: Base-Base interactions energy: -1862.918 where: short stacking energy: -797.348 Base-Backbone interact. energy: -1.310 local terms energy: -869.327119 where: bonds (distance) C4'-P energy: -172.519 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -183.734 flat angles P-C4'-P energy: -130.456 tors. eta vs tors. theta energy: -227.914 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: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2516.050695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.050695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.050695 (E_RNA) where: Base-Base interactions energy: -1728.003 where: short stacking energy: -707.350 Base-Backbone interact. energy: -2.037 local terms energy: -786.011082 where: bonds (distance) C4'-P energy: -142.224 bonds (distance) P-C4' energy: -154.123 flat angles C4'-P-C4' energy: -167.198 flat angles P-C4'-P energy: -109.201 tors. eta vs tors. theta energy: -213.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2457.093681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.093681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.093681 (E_RNA) where: Base-Base interactions energy: -1684.098 where: short stacking energy: -723.855 Base-Backbone interact. energy: -0.404 local terms energy: -772.590889 where: bonds (distance) C4'-P energy: -138.241 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -164.789 flat angles P-C4'-P energy: -119.004 tors. eta vs tors. theta energy: -195.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2245.259876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.259876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.259876 (E_RNA) where: Base-Base interactions energy: -1501.495 where: short stacking energy: -638.495 Base-Backbone interact. energy: 0.138 local terms energy: -743.902707 where: bonds (distance) C4'-P energy: -155.577 bonds (distance) P-C4' energy: -148.708 flat angles C4'-P-C4' energy: -163.691 flat angles P-C4'-P energy: -97.016 tors. eta vs tors. theta energy: -178.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2125.083768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.083768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.083768 (E_RNA) where: Base-Base interactions energy: -1447.023 where: short stacking energy: -622.419 Base-Backbone interact. energy: -2.729 local terms energy: -675.331570 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -156.196 flat angles C4'-P-C4' energy: -142.183 flat angles P-C4'-P energy: -79.528 tors. eta vs tors. theta energy: -160.338 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: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1806.499128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.499128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.499128 (E_RNA) where: Base-Base interactions energy: -1177.686 where: short stacking energy: -531.841 Base-Backbone interact. energy: 4.394 local terms energy: -633.207028 where: bonds (distance) C4'-P energy: -129.542 bonds (distance) P-C4' energy: -156.894 flat angles C4'-P-C4' energy: -142.164 flat angles P-C4'-P energy: -90.281 tors. eta vs tors. theta energy: -114.325 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: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1506.177802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.177802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.177802 (E_RNA) where: Base-Base interactions energy: -954.506 where: short stacking energy: -398.435 Base-Backbone interact. energy: -2.240 local terms energy: -549.432055 where: bonds (distance) C4'-P energy: -132.612 bonds (distance) P-C4' energy: -123.969 flat angles C4'-P-C4' energy: -155.940 flat angles P-C4'-P energy: -61.494 tors. eta vs tors. theta energy: -75.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -964.350421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.350421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.350421 (E_RNA) where: Base-Base interactions energy: -495.417 where: short stacking energy: -287.542 Base-Backbone interact. energy: 1.142 local terms energy: -470.074980 where: bonds (distance) C4'-P energy: -124.355 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -115.277 flat angles P-C4'-P energy: -88.421 tors. eta vs tors. theta energy: -6.177 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: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -778.431332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.431332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.431332 (E_RNA) where: Base-Base interactions energy: -367.560 where: short stacking energy: -243.606 Base-Backbone interact. energy: 5.896 local terms energy: -416.767317 where: bonds (distance) C4'-P energy: -130.299 bonds (distance) P-C4' energy: -136.831 flat angles C4'-P-C4' energy: -116.420 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: 23.380 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: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2816.695405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.695405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.695405 (E_RNA) where: Base-Base interactions energy: -1911.972 where: short stacking energy: -790.853 Base-Backbone interact. energy: -5.550 local terms energy: -899.173159 where: bonds (distance) C4'-P energy: -172.009 bonds (distance) P-C4' energy: -170.926 flat angles C4'-P-C4' energy: -174.778 flat angles P-C4'-P energy: -136.171 tors. eta vs tors. theta energy: -245.289 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: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2786.154032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.154032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.154032 (E_RNA) where: Base-Base interactions energy: -1918.136 where: short stacking energy: -829.440 Base-Backbone interact. energy: -3.175 local terms energy: -864.843505 where: bonds (distance) C4'-P energy: -157.794 bonds (distance) P-C4' energy: -167.369 flat angles C4'-P-C4' energy: -182.432 flat angles P-C4'-P energy: -114.722 tors. eta vs tors. theta energy: -242.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2543.681115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.681115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.681115 (E_RNA) where: Base-Base interactions energy: -1730.915 where: short stacking energy: -731.250 Base-Backbone interact. energy: -2.157 local terms energy: -810.608675 where: bonds (distance) C4'-P energy: -159.076 bonds (distance) P-C4' energy: -148.023 flat angles C4'-P-C4' energy: -182.489 flat angles P-C4'-P energy: -102.441 tors. eta vs tors. theta energy: -218.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2434.816779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.816779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.816779 (E_RNA) where: Base-Base interactions energy: -1646.920 where: short stacking energy: -715.259 Base-Backbone interact. energy: 4.847 local terms energy: -792.743951 where: bonds (distance) C4'-P energy: -147.051 bonds (distance) P-C4' energy: -159.370 flat angles C4'-P-C4' energy: -170.306 flat angles P-C4'-P energy: -122.448 tors. eta vs tors. theta energy: -193.570 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: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2244.855694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.855694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.855694 (E_RNA) where: Base-Base interactions energy: -1501.940 where: short stacking energy: -637.539 Base-Backbone interact. energy: 1.101 local terms energy: -744.017112 where: bonds (distance) C4'-P energy: -149.278 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -184.779 flat angles P-C4'-P energy: -105.574 tors. eta vs tors. theta energy: -161.493 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: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2082.027430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.027430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.027430 (E_RNA) where: Base-Base interactions energy: -1375.227 where: short stacking energy: -596.325 Base-Backbone interact. energy: 3.744 local terms energy: -710.544644 where: bonds (distance) C4'-P energy: -148.234 bonds (distance) P-C4' energy: -147.236 flat angles C4'-P-C4' energy: -149.914 flat angles P-C4'-P energy: -115.682 tors. eta vs tors. theta energy: -149.479 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: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1784.967877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.967877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.967877 (E_RNA) where: Base-Base interactions energy: -1113.456 where: short stacking energy: -493.018 Base-Backbone interact. energy: 0.010 local terms energy: -671.521784 where: bonds (distance) C4'-P energy: -133.702 bonds (distance) P-C4' energy: -158.134 flat angles C4'-P-C4' energy: -158.732 flat angles P-C4'-P energy: -113.230 tors. eta vs tors. theta energy: -107.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1448.120927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.120927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.120927 (E_RNA) where: Base-Base interactions energy: -888.011 where: short stacking energy: -424.576 Base-Backbone interact. energy: 1.653 local terms energy: -561.762490 where: bonds (distance) C4'-P energy: -127.880 bonds (distance) P-C4' energy: -151.703 flat angles C4'-P-C4' energy: -132.131 flat angles P-C4'-P energy: -62.113 tors. eta vs tors. theta energy: -87.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -940.904578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.904578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.904578 (E_RNA) where: Base-Base interactions energy: -478.145 where: short stacking energy: -274.472 Base-Backbone interact. energy: -0.542 local terms energy: -462.218015 where: bonds (distance) C4'-P energy: -140.604 bonds (distance) P-C4' energy: -133.108 flat angles C4'-P-C4' energy: -117.073 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -0.945 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: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -797.965620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.965620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.965620 (E_RNA) where: Base-Base interactions energy: -357.148 where: short stacking energy: -200.420 Base-Backbone interact. energy: -2.838 local terms energy: -437.979114 where: bonds (distance) C4'-P energy: -125.880 bonds (distance) P-C4' energy: -139.288 flat angles C4'-P-C4' energy: -132.412 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: 27.976 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: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2820.059357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.059357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.059357 (E_RNA) where: Base-Base interactions energy: -1924.029 where: short stacking energy: -787.927 Base-Backbone interact. energy: -6.230 local terms energy: -889.799810 where: bonds (distance) C4'-P energy: -159.026 bonds (distance) P-C4' energy: -178.406 flat angles C4'-P-C4' energy: -189.329 flat angles P-C4'-P energy: -132.164 tors. eta vs tors. theta energy: -230.876 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: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2754.293602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.293602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.293602 (E_RNA) where: Base-Base interactions energy: -1922.835 where: short stacking energy: -811.025 Base-Backbone interact. energy: -3.832 local terms energy: -827.626722 where: bonds (distance) C4'-P energy: -148.918 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -182.604 flat angles P-C4'-P energy: -106.702 tors. eta vs tors. theta energy: -241.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2548.254201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.254201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.254201 (E_RNA) where: Base-Base interactions energy: -1763.409 where: short stacking energy: -716.062 Base-Backbone interact. energy: -4.433 local terms energy: -780.411712 where: bonds (distance) C4'-P energy: -152.358 bonds (distance) P-C4' energy: -159.258 flat angles C4'-P-C4' energy: -160.219 flat angles P-C4'-P energy: -110.355 tors. eta vs tors. theta energy: -198.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2474.071013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.071013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.071013 (E_RNA) where: Base-Base interactions energy: -1696.316 where: short stacking energy: -707.522 Base-Backbone interact. energy: -4.039 local terms energy: -773.715891 where: bonds (distance) C4'-P energy: -147.177 bonds (distance) P-C4' energy: -146.375 flat angles C4'-P-C4' energy: -168.065 flat angles P-C4'-P energy: -109.673 tors. eta vs tors. theta energy: -202.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2229.652981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.652981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.652981 (E_RNA) where: Base-Base interactions energy: -1512.232 where: short stacking energy: -643.089 Base-Backbone interact. energy: -4.728 local terms energy: -712.693560 where: bonds (distance) C4'-P energy: -133.325 bonds (distance) P-C4' energy: -148.182 flat angles C4'-P-C4' energy: -159.197 flat angles P-C4'-P energy: -97.849 tors. eta vs tors. theta energy: -174.141 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2069.166355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.166355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.166355 (E_RNA) where: Base-Base interactions energy: -1417.114 where: short stacking energy: -592.882 Base-Backbone interact. energy: 2.792 local terms energy: -654.843797 where: bonds (distance) C4'-P energy: -127.498 bonds (distance) P-C4' energy: -157.331 flat angles C4'-P-C4' energy: -154.992 flat angles P-C4'-P energy: -81.795 tors. eta vs tors. theta energy: -133.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1815.959406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.959406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.959406 (E_RNA) where: Base-Base interactions energy: -1166.070 where: short stacking energy: -524.733 Base-Backbone interact. energy: 4.008 local terms energy: -653.897359 where: bonds (distance) C4'-P energy: -156.545 bonds (distance) P-C4' energy: -132.407 flat angles C4'-P-C4' energy: -163.888 flat angles P-C4'-P energy: -74.105 tors. eta vs tors. theta energy: -126.953 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: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1461.271579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.271579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.271579 (E_RNA) where: Base-Base interactions energy: -858.057 where: short stacking energy: -400.545 Base-Backbone interact. energy: -2.052 local terms energy: -601.162955 where: bonds (distance) C4'-P energy: -158.594 bonds (distance) P-C4' energy: -148.191 flat angles C4'-P-C4' energy: -137.989 flat angles P-C4'-P energy: -83.870 tors. eta vs tors. theta energy: -72.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -976.006323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.006323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.006323 (E_RNA) where: Base-Base interactions energy: -540.153 where: short stacking energy: -290.934 Base-Backbone interact. energy: 3.225 local terms energy: -439.078335 where: bonds (distance) C4'-P energy: -120.259 bonds (distance) P-C4' energy: -136.384 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -74.653 tors. eta vs tors. theta energy: -2.645 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: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -801.121597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.121597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.121597 (E_RNA) where: Base-Base interactions energy: -343.005 where: short stacking energy: -213.395 Base-Backbone interact. energy: -2.828 local terms energy: -455.288481 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -149.686 flat angles C4'-P-C4' energy: -135.853 flat angles P-C4'-P energy: -44.012 tors. eta vs tors. theta energy: 10.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2810.991167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.991167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.991167 (E_RNA) where: Base-Base interactions energy: -1936.569 where: short stacking energy: -810.597 Base-Backbone interact. energy: -9.630 local terms energy: -864.791938 where: bonds (distance) C4'-P energy: -147.852 bonds (distance) P-C4' energy: -161.070 flat angles C4'-P-C4' energy: -193.485 flat angles P-C4'-P energy: -123.746 tors. eta vs tors. theta energy: -238.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2797.233320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.233320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.233320 (E_RNA) where: Base-Base interactions energy: -1930.157 where: short stacking energy: -827.204 Base-Backbone interact. energy: -8.043 local terms energy: -859.033242 where: bonds (distance) C4'-P energy: -158.319 bonds (distance) P-C4' energy: -150.880 flat angles C4'-P-C4' energy: -176.313 flat angles P-C4'-P energy: -119.608 tors. eta vs tors. theta energy: -253.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2577.833851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.833851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.833851 (E_RNA) where: Base-Base interactions energy: -1784.385 where: short stacking energy: -718.242 Base-Backbone interact. energy: 2.238 local terms energy: -795.686542 where: bonds (distance) C4'-P energy: -157.342 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -163.093 flat angles P-C4'-P energy: -106.280 tors. eta vs tors. theta energy: -212.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2466.937081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.937081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.937081 (E_RNA) where: Base-Base interactions energy: -1713.685 where: short stacking energy: -704.498 Base-Backbone interact. energy: -0.228 local terms energy: -753.024353 where: bonds (distance) C4'-P energy: -157.702 bonds (distance) P-C4' energy: -136.320 flat angles C4'-P-C4' energy: -175.126 flat angles P-C4'-P energy: -99.667 tors. eta vs tors. theta energy: -184.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2200.281002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.281002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.281002 (E_RNA) where: Base-Base interactions energy: -1500.375 where: short stacking energy: -592.169 Base-Backbone interact. energy: -6.096 local terms energy: -693.809269 where: bonds (distance) C4'-P energy: -146.814 bonds (distance) P-C4' energy: -148.988 flat angles C4'-P-C4' energy: -152.782 flat angles P-C4'-P energy: -96.494 tors. eta vs tors. theta energy: -148.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2112.797933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.797933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.797933 (E_RNA) where: Base-Base interactions energy: -1426.169 where: short stacking energy: -596.159 Base-Backbone interact. energy: 8.166 local terms energy: -694.795390 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -167.763 flat angles C4'-P-C4' energy: -149.987 flat angles P-C4'-P energy: -95.397 tors. eta vs tors. theta energy: -141.160 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: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1833.058687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.058687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.058687 (E_RNA) where: Base-Base interactions energy: -1185.802 where: short stacking energy: -533.668 Base-Backbone interact. energy: -0.516 local terms energy: -646.740478 where: bonds (distance) C4'-P energy: -133.924 bonds (distance) P-C4' energy: -146.597 flat angles C4'-P-C4' energy: -145.579 flat angles P-C4'-P energy: -91.087 tors. eta vs tors. theta energy: -129.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1460.845563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.845563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.845563 (E_RNA) where: Base-Base interactions energy: -932.243 where: short stacking energy: -458.915 Base-Backbone interact. energy: -0.131 local terms energy: -528.471437 where: bonds (distance) C4'-P energy: -119.482 bonds (distance) P-C4' energy: -133.523 flat angles C4'-P-C4' energy: -136.171 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -95.401 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: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -856.318776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.318776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.318776 (E_RNA) where: Base-Base interactions energy: -403.708 where: short stacking energy: -225.582 Base-Backbone interact. energy: 3.973 local terms energy: -456.583843 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -156.764 flat angles C4'-P-C4' energy: -120.472 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: 2.742 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: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -892.731337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.731337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.731337 (E_RNA) where: Base-Base interactions energy: -456.974 where: short stacking energy: -247.836 Base-Backbone interact. energy: -0.141 local terms energy: -435.615810 where: bonds (distance) C4'-P energy: -139.878 bonds (distance) P-C4' energy: -132.582 flat angles C4'-P-C4' energy: -118.815 flat angles P-C4'-P energy: -56.853 tors. eta vs tors. theta energy: 12.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2795.830079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.830079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.830079 (E_RNA) where: Base-Base interactions energy: -1952.586 where: short stacking energy: -772.168 Base-Backbone interact. energy: -1.187 local terms energy: -842.057142 where: bonds (distance) C4'-P energy: -148.061 bonds (distance) P-C4' energy: -162.686 flat angles C4'-P-C4' energy: -179.494 flat angles P-C4'-P energy: -123.019 tors. eta vs tors. theta energy: -228.798 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: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2792.612040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.612040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.612040 (E_RNA) where: Base-Base interactions energy: -1887.460 where: short stacking energy: -828.497 Base-Backbone interact. energy: -2.003 local terms energy: -903.149614 where: bonds (distance) C4'-P energy: -160.574 bonds (distance) P-C4' energy: -183.550 flat angles C4'-P-C4' energy: -181.925 flat angles P-C4'-P energy: -127.940 tors. eta vs tors. theta energy: -249.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2657.318446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.318446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.318446 (E_RNA) where: Base-Base interactions energy: -1832.823 where: short stacking energy: -745.682 Base-Backbone interact. energy: -6.135 local terms energy: -818.360680 where: bonds (distance) C4'-P energy: -151.854 bonds (distance) P-C4' energy: -164.852 flat angles C4'-P-C4' energy: -182.490 flat angles P-C4'-P energy: -108.973 tors. eta vs tors. theta energy: -210.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2499.428070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.428070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.428070 (E_RNA) where: Base-Base interactions energy: -1733.727 where: short stacking energy: -707.386 Base-Backbone interact. energy: 2.374 local terms energy: -768.074800 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -167.643 flat angles C4'-P-C4' energy: -166.012 flat angles P-C4'-P energy: -120.083 tors. eta vs tors. theta energy: -179.000 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: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2125.319431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.319431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.319431 (E_RNA) where: Base-Base interactions energy: -1423.973 where: short stacking energy: -587.521 Base-Backbone interact. energy: -1.428 local terms energy: -699.918437 where: bonds (distance) C4'-P energy: -137.075 bonds (distance) P-C4' energy: -143.721 flat angles C4'-P-C4' energy: -156.670 flat angles P-C4'-P energy: -115.871 tors. eta vs tors. theta energy: -146.582 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: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2117.344415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.344415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.344415 (E_RNA) where: Base-Base interactions energy: -1430.121 where: short stacking energy: -598.650 Base-Backbone interact. energy: -2.093 local terms energy: -685.130312 where: bonds (distance) C4'-P energy: -143.225 bonds (distance) P-C4' energy: -133.674 flat angles C4'-P-C4' energy: -151.800 flat angles P-C4'-P energy: -95.593 tors. eta vs tors. theta energy: -160.838 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: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1818.928243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.928243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.928243 (E_RNA) where: Base-Base interactions energy: -1169.289 where: short stacking energy: -512.206 Base-Backbone interact. energy: -3.702 local terms energy: -645.937686 where: bonds (distance) C4'-P energy: -144.398 bonds (distance) P-C4' energy: -128.207 flat angles C4'-P-C4' energy: -155.584 flat angles P-C4'-P energy: -102.514 tors. eta vs tors. theta energy: -115.235 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: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1460.802308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.802308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.802308 (E_RNA) where: Base-Base interactions energy: -885.831 where: short stacking energy: -411.290 Base-Backbone interact. energy: -0.234 local terms energy: -574.737283 where: bonds (distance) C4'-P energy: -122.654 bonds (distance) P-C4' energy: -136.620 flat angles C4'-P-C4' energy: -151.968 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -87.452 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: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -873.595301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.595301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.595301 (E_RNA) where: Base-Base interactions energy: -434.208 where: short stacking energy: -267.808 Base-Backbone interact. energy: -0.438 local terms energy: -438.949199 where: bonds (distance) C4'-P energy: -113.724 bonds (distance) P-C4' energy: -139.641 flat angles C4'-P-C4' energy: -118.690 flat angles P-C4'-P energy: -63.511 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -850.439984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.439984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.439984 (E_RNA) where: Base-Base interactions energy: -440.185 where: short stacking energy: -211.490 Base-Backbone interact. energy: -0.556 local terms energy: -409.698964 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -130.645 flat angles C4'-P-C4' energy: -104.863 flat angles P-C4'-P energy: -61.357 tors. eta vs tors. theta energy: -3.202 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: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2856.728910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.728910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.728910 (E_RNA) where: Base-Base interactions energy: -1980.530 where: short stacking energy: -859.058 Base-Backbone interact. energy: -4.601 local terms energy: -871.598472 where: bonds (distance) C4'-P energy: -167.057 bonds (distance) P-C4' energy: -145.462 flat angles C4'-P-C4' energy: -188.608 flat angles P-C4'-P energy: -119.501 tors. eta vs tors. theta energy: -250.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2736.189010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.189010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.189010 (E_RNA) where: Base-Base interactions energy: -1864.448 where: short stacking energy: -801.379 Base-Backbone interact. energy: -0.448 local terms energy: -871.292197 where: bonds (distance) C4'-P energy: -147.844 bonds (distance) P-C4' energy: -158.862 flat angles C4'-P-C4' energy: -194.105 flat angles P-C4'-P energy: -120.376 tors. eta vs tors. theta energy: -250.104 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: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2634.078414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.078414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.078414 (E_RNA) where: Base-Base interactions energy: -1835.248 where: short stacking energy: -768.750 Base-Backbone interact. energy: -0.843 local terms energy: -797.987765 where: bonds (distance) C4'-P energy: -136.360 bonds (distance) P-C4' energy: -157.993 flat angles C4'-P-C4' energy: -179.817 flat angles P-C4'-P energy: -111.144 tors. eta vs tors. theta energy: -212.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2484.659852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.659852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.659852 (E_RNA) where: Base-Base interactions energy: -1703.433 where: short stacking energy: -738.493 Base-Backbone interact. energy: 2.856 local terms energy: -784.083389 where: bonds (distance) C4'-P energy: -138.261 bonds (distance) P-C4' energy: -155.514 flat angles C4'-P-C4' energy: -180.171 flat angles P-C4'-P energy: -108.039 tors. eta vs tors. theta energy: -202.098 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: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2127.900640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.900640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.900640 (E_RNA) where: Base-Base interactions energy: -1439.292 where: short stacking energy: -626.805 Base-Backbone interact. energy: -2.751 local terms energy: -685.857722 where: bonds (distance) C4'-P energy: -144.020 bonds (distance) P-C4' energy: -122.307 flat angles C4'-P-C4' energy: -155.619 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -157.443 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: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2069.688506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.688506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.688506 (E_RNA) where: Base-Base interactions energy: -1388.756 where: short stacking energy: -606.230 Base-Backbone interact. energy: -1.963 local terms energy: -678.969929 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -141.629 flat angles C4'-P-C4' energy: -149.955 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -160.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1897.150537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.150537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.150537 (E_RNA) where: Base-Base interactions energy: -1260.297 where: short stacking energy: -542.958 Base-Backbone interact. energy: -2.325 local terms energy: -634.528374 where: bonds (distance) C4'-P energy: -139.131 bonds (distance) P-C4' energy: -125.027 flat angles C4'-P-C4' energy: -162.172 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -112.405 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: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1459.189787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.189787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.189787 (E_RNA) where: Base-Base interactions energy: -883.253 where: short stacking energy: -420.499 Base-Backbone interact. energy: -0.918 local terms energy: -575.018430 where: bonds (distance) C4'-P energy: -141.875 bonds (distance) P-C4' energy: -149.809 flat angles C4'-P-C4' energy: -141.141 flat angles P-C4'-P energy: -75.432 tors. eta vs tors. theta energy: -66.761 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: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -888.810342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.810342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.810342 (E_RNA) where: Base-Base interactions energy: -406.232 where: short stacking energy: -268.236 Base-Backbone interact. energy: 1.297 local terms energy: -483.875912 where: bonds (distance) C4'-P energy: -144.338 bonds (distance) P-C4' energy: -133.243 flat angles C4'-P-C4' energy: -121.035 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: -20.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -795.531931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.531931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.531931 (E_RNA) where: Base-Base interactions energy: -371.399 where: short stacking energy: -227.618 Base-Backbone interact. energy: 1.614 local terms energy: -425.747045 where: bonds (distance) C4'-P energy: -119.045 bonds (distance) P-C4' energy: -143.429 flat angles C4'-P-C4' energy: -122.041 flat angles P-C4'-P energy: -46.207 tors. eta vs tors. theta energy: 4.975 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: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2851.238370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.238370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.238370 (E_RNA) where: Base-Base interactions energy: -1961.603 where: short stacking energy: -839.892 Base-Backbone interact. energy: -3.635 local terms energy: -885.999567 where: bonds (distance) C4'-P energy: -163.432 bonds (distance) P-C4' energy: -170.154 flat angles C4'-P-C4' energy: -183.452 flat angles P-C4'-P energy: -130.744 tors. eta vs tors. theta energy: -238.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2722.661265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.661265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.661265 (E_RNA) where: Base-Base interactions energy: -1884.050 where: short stacking energy: -769.008 Base-Backbone interact. energy: -1.164 local terms energy: -837.446734 where: bonds (distance) C4'-P energy: -154.455 bonds (distance) P-C4' energy: -153.951 flat angles C4'-P-C4' energy: -180.543 flat angles P-C4'-P energy: -119.128 tors. eta vs tors. theta energy: -229.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2592.303060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.303060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.303060 (E_RNA) where: Base-Base interactions energy: -1803.493 where: short stacking energy: -738.428 Base-Backbone interact. energy: 0.171 local terms energy: -788.981361 where: bonds (distance) C4'-P energy: -138.544 bonds (distance) P-C4' energy: -156.281 flat angles C4'-P-C4' energy: -173.280 flat angles P-C4'-P energy: -104.957 tors. eta vs tors. theta energy: -215.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2478.737380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.737380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.737380 (E_RNA) where: Base-Base interactions energy: -1717.190 where: short stacking energy: -724.029 Base-Backbone interact. energy: -1.823 local terms energy: -759.723715 where: bonds (distance) C4'-P energy: -146.525 bonds (distance) P-C4' energy: -136.456 flat angles C4'-P-C4' energy: -168.771 flat angles P-C4'-P energy: -109.323 tors. eta vs tors. theta energy: -198.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2154.312495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.312495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.312495 (E_RNA) where: Base-Base interactions energy: -1422.569 where: short stacking energy: -599.009 Base-Backbone interact. energy: -2.919 local terms energy: -728.824693 where: bonds (distance) C4'-P energy: -152.835 bonds (distance) P-C4' energy: -155.229 flat angles C4'-P-C4' energy: -156.538 flat angles P-C4'-P energy: -111.726 tors. eta vs tors. theta energy: -152.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2109.053103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.053103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.053103 (E_RNA) where: Base-Base interactions energy: -1411.394 where: short stacking energy: -612.458 Base-Backbone interact. energy: -1.581 local terms energy: -696.077724 where: bonds (distance) C4'-P energy: -138.651 bonds (distance) P-C4' energy: -143.421 flat angles C4'-P-C4' energy: -161.108 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -156.706 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: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1858.814273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.814273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.814273 (E_RNA) where: Base-Base interactions energy: -1181.056 where: short stacking energy: -538.554 Base-Backbone interact. energy: -3.229 local terms energy: -674.528760 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -131.931 flat angles C4'-P-C4' energy: -164.141 flat angles P-C4'-P energy: -103.347 tors. eta vs tors. theta energy: -144.689 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: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1444.422636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.422636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.422636 (E_RNA) where: Base-Base interactions energy: -868.656 where: short stacking energy: -407.129 Base-Backbone interact. energy: 1.885 local terms energy: -577.651511 where: bonds (distance) C4'-P energy: -134.042 bonds (distance) P-C4' energy: -151.054 flat angles C4'-P-C4' energy: -138.459 flat angles P-C4'-P energy: -74.426 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: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -879.154543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.154543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.154543 (E_RNA) where: Base-Base interactions energy: -416.228 where: short stacking energy: -248.561 Base-Backbone interact. energy: -0.156 local terms energy: -462.770613 where: bonds (distance) C4'-P energy: -117.046 bonds (distance) P-C4' energy: -145.579 flat angles C4'-P-C4' energy: -128.871 flat angles P-C4'-P energy: -63.016 tors. eta vs tors. theta energy: -8.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -774.800294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.800294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.800294 (E_RNA) where: Base-Base interactions energy: -321.580 where: short stacking energy: -204.250 Base-Backbone interact. energy: -4.807 local terms energy: -448.413463 where: bonds (distance) C4'-P energy: -134.940 bonds (distance) P-C4' energy: -160.942 flat angles C4'-P-C4' energy: -111.303 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: 21.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2848.480277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.480277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.480277 (E_RNA) where: Base-Base interactions energy: -1940.512 where: short stacking energy: -834.878 Base-Backbone interact. energy: -3.614 local terms energy: -904.354263 where: bonds (distance) C4'-P energy: -173.119 bonds (distance) P-C4' energy: -165.746 flat angles C4'-P-C4' energy: -191.131 flat angles P-C4'-P energy: -123.531 tors. eta vs tors. theta energy: -250.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2754.355099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.355099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.355099 (E_RNA) where: Base-Base interactions energy: -1910.250 where: short stacking energy: -805.415 Base-Backbone interact. energy: -3.522 local terms energy: -840.582795 where: bonds (distance) C4'-P energy: -134.465 bonds (distance) P-C4' energy: -167.180 flat angles C4'-P-C4' energy: -184.363 flat angles P-C4'-P energy: -129.490 tors. eta vs tors. theta energy: -225.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2632.119836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.119836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.119836 (E_RNA) where: Base-Base interactions energy: -1797.591 where: short stacking energy: -731.704 Base-Backbone interact. energy: -0.020 local terms energy: -834.508385 where: bonds (distance) C4'-P energy: -165.208 bonds (distance) P-C4' energy: -172.045 flat angles C4'-P-C4' energy: -173.126 flat angles P-C4'-P energy: -111.561 tors. eta vs tors. theta energy: -212.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2500.844233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.844233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.844233 (E_RNA) where: Base-Base interactions energy: -1713.965 where: short stacking energy: -720.666 Base-Backbone interact. energy: -2.594 local terms energy: -784.285051 where: bonds (distance) C4'-P energy: -165.441 bonds (distance) P-C4' energy: -165.928 flat angles C4'-P-C4' energy: -164.144 flat angles P-C4'-P energy: -104.821 tors. eta vs tors. theta energy: -183.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2169.844731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.844731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.844731 (E_RNA) where: Base-Base interactions energy: -1468.538 where: short stacking energy: -628.346 Base-Backbone interact. energy: -0.768 local terms energy: -700.538775 where: bonds (distance) C4'-P energy: -136.433 bonds (distance) P-C4' energy: -164.656 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -106.482 tors. eta vs tors. theta energy: -152.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2075.902460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.902460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.902460 (E_RNA) where: Base-Base interactions energy: -1403.418 where: short stacking energy: -579.788 Base-Backbone interact. energy: -2.095 local terms energy: -670.390092 where: bonds (distance) C4'-P energy: -150.882 bonds (distance) P-C4' energy: -124.511 flat angles C4'-P-C4' energy: -153.160 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -138.901 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: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1751.267885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.267885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.267885 (E_RNA) where: Base-Base interactions energy: -1136.529 where: short stacking energy: -491.830 Base-Backbone interact. energy: -4.242 local terms energy: -610.495966 where: bonds (distance) C4'-P energy: -141.855 bonds (distance) P-C4' energy: -146.418 flat angles C4'-P-C4' energy: -142.688 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: -101.574 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: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1421.834600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.834600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.834600 (E_RNA) where: Base-Base interactions energy: -859.423 where: short stacking energy: -418.726 Base-Backbone interact. energy: 3.254 local terms energy: -565.665485 where: bonds (distance) C4'-P energy: -141.295 bonds (distance) P-C4' energy: -143.261 flat angles C4'-P-C4' energy: -123.714 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -71.793 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: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -881.441284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.441284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.441284 (E_RNA) where: Base-Base interactions energy: -454.370 where: short stacking energy: -268.504 Base-Backbone interact. energy: 1.646 local terms energy: -428.717660 where: bonds (distance) C4'-P energy: -134.877 bonds (distance) P-C4' energy: -138.005 flat angles C4'-P-C4' energy: -107.200 flat angles P-C4'-P energy: -41.887 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -795.582671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.582671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.582671 (E_RNA) where: Base-Base interactions energy: -370.174 where: short stacking energy: -235.678 Base-Backbone interact. energy: 5.058 local terms energy: -430.466591 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -128.130 flat angles C4'-P-C4' energy: -117.424 flat angles P-C4'-P energy: -68.665 tors. eta vs tors. theta energy: 7.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2855.147475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.147475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.147475 (E_RNA) where: Base-Base interactions energy: -1963.583 where: short stacking energy: -832.124 Base-Backbone interact. energy: -5.644 local terms energy: -885.919949 where: bonds (distance) C4'-P energy: -170.840 bonds (distance) P-C4' energy: -172.081 flat angles C4'-P-C4' energy: -173.666 flat angles P-C4'-P energy: -121.698 tors. eta vs tors. theta energy: -247.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2728.396131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.396131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.396131 (E_RNA) where: Base-Base interactions energy: -1866.919 where: short stacking energy: -772.626 Base-Backbone interact. energy: 0.283 local terms energy: -861.759670 where: bonds (distance) C4'-P energy: -164.808 bonds (distance) P-C4' energy: -170.462 flat angles C4'-P-C4' energy: -185.877 flat angles P-C4'-P energy: -119.930 tors. eta vs tors. theta energy: -220.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2605.738395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.738395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.738395 (E_RNA) where: Base-Base interactions energy: -1803.767 where: short stacking energy: -740.430 Base-Backbone interact. energy: 2.961 local terms energy: -804.932244 where: bonds (distance) C4'-P energy: -155.594 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -176.877 flat angles P-C4'-P energy: -105.326 tors. eta vs tors. theta energy: -210.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2574.399023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.399023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.399023 (E_RNA) where: Base-Base interactions energy: -1779.522 where: short stacking energy: -750.517 Base-Backbone interact. energy: -4.759 local terms energy: -790.117941 where: bonds (distance) C4'-P energy: -144.059 bonds (distance) P-C4' energy: -143.299 flat angles C4'-P-C4' energy: -185.239 flat angles P-C4'-P energy: -110.181 tors. eta vs tors. theta energy: -207.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2232.642136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.642136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.642136 (E_RNA) where: Base-Base interactions energy: -1502.186 where: short stacking energy: -644.918 Base-Backbone interact. energy: -3.388 local terms energy: -727.068481 where: bonds (distance) C4'-P energy: -134.183 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -161.478 flat angles P-C4'-P energy: -99.180 tors. eta vs tors. theta energy: -183.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2099.603961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.603961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.603961 (E_RNA) where: Base-Base interactions energy: -1400.983 where: short stacking energy: -606.447 Base-Backbone interact. energy: -2.784 local terms energy: -695.837352 where: bonds (distance) C4'-P energy: -147.078 bonds (distance) P-C4' energy: -138.299 flat angles C4'-P-C4' energy: -172.130 flat angles P-C4'-P energy: -96.017 tors. eta vs tors. theta energy: -142.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1888.588358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.588358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.588358 (E_RNA) where: Base-Base interactions energy: -1214.895 where: short stacking energy: -541.128 Base-Backbone interact. energy: -3.525 local terms energy: -670.168407 where: bonds (distance) C4'-P energy: -133.839 bonds (distance) P-C4' energy: -149.903 flat angles C4'-P-C4' energy: -150.049 flat angles P-C4'-P energy: -92.292 tors. eta vs tors. theta energy: -144.087 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: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1439.207406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.207406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.207406 (E_RNA) where: Base-Base interactions energy: -887.560 where: short stacking energy: -431.106 Base-Backbone interact. energy: -2.797 local terms energy: -548.850043 where: bonds (distance) C4'-P energy: -140.880 bonds (distance) P-C4' energy: -132.787 flat angles C4'-P-C4' energy: -129.490 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -81.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -831.688056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.688056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.688056 (E_RNA) where: Base-Base interactions energy: -398.699 where: short stacking energy: -227.901 Base-Backbone interact. energy: 0.141 local terms energy: -433.130099 where: bonds (distance) C4'-P energy: -132.381 bonds (distance) P-C4' energy: -136.039 flat angles C4'-P-C4' energy: -116.986 flat angles P-C4'-P energy: -71.053 tors. eta vs tors. theta energy: 23.329 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: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -761.715366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.715366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.715366 (E_RNA) where: Base-Base interactions energy: -364.714 where: short stacking energy: -206.272 Base-Backbone interact. energy: -0.269 local terms energy: -396.732227 where: bonds (distance) C4'-P energy: -121.189 bonds (distance) P-C4' energy: -129.185 flat angles C4'-P-C4' energy: -112.206 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: 20.613 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: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2884.335090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.335090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.335090 (E_RNA) where: Base-Base interactions energy: -1994.414 where: short stacking energy: -817.768 Base-Backbone interact. energy: -4.177 local terms energy: -885.743970 where: bonds (distance) C4'-P energy: -141.105 bonds (distance) P-C4' energy: -178.785 flat angles C4'-P-C4' energy: -181.449 flat angles P-C4'-P energy: -138.396 tors. eta vs tors. theta energy: -246.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2729.570219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.570219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.570219 (E_RNA) where: Base-Base interactions energy: -1894.777 where: short stacking energy: -801.030 Base-Backbone interact. energy: -4.029 local terms energy: -830.764325 where: bonds (distance) C4'-P energy: -133.039 bonds (distance) P-C4' energy: -156.174 flat angles C4'-P-C4' energy: -185.033 flat angles P-C4'-P energy: -133.972 tors. eta vs tors. theta energy: -222.545 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: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2597.838476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.838476 (E_RNA) where: Base-Base interactions energy: -1797.197 where: short stacking energy: -752.926 Base-Backbone interact. energy: -3.238 local terms energy: -797.403580 where: bonds (distance) C4'-P energy: -138.432 bonds (distance) P-C4' energy: -150.610 flat angles C4'-P-C4' energy: -175.781 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -223.728 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: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2540.937953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.937953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.937953 (E_RNA) where: Base-Base interactions energy: -1758.361 where: short stacking energy: -753.304 Base-Backbone interact. energy: 1.666 local terms energy: -784.242819 where: bonds (distance) C4'-P energy: -149.492 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -171.853 flat angles P-C4'-P energy: -108.454 tors. eta vs tors. theta energy: -217.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2213.122153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.122153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.122153 (E_RNA) where: Base-Base interactions energy: -1495.528 where: short stacking energy: -607.282 Base-Backbone interact. energy: -1.692 local terms energy: -715.901699 where: bonds (distance) C4'-P energy: -125.709 bonds (distance) P-C4' energy: -151.594 flat angles C4'-P-C4' energy: -155.911 flat angles P-C4'-P energy: -111.306 tors. eta vs tors. theta energy: -171.383 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: 186 Temperature: 1.150000 Total energy: -2122.441323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.441323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.441323 (E_RNA) where: Base-Base interactions energy: -1402.964 where: short stacking energy: -618.131 Base-Backbone interact. energy: 0.720 local terms energy: -720.197091 where: bonds (distance) C4'-P energy: -153.711 bonds (distance) P-C4' energy: -140.052 flat angles C4'-P-C4' energy: -157.164 flat angles P-C4'-P energy: -108.186 tors. eta vs tors. theta energy: -161.084 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: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1864.433690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.433690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.433690 (E_RNA) where: Base-Base interactions energy: -1196.074 where: short stacking energy: -523.005 Base-Backbone interact. energy: -2.253 local terms energy: -666.105995 where: bonds (distance) C4'-P energy: -131.152 bonds (distance) P-C4' energy: -158.817 flat angles C4'-P-C4' energy: -141.095 flat angles P-C4'-P energy: -100.814 tors. eta vs tors. theta energy: -134.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1476.397717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.397717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.397717 (E_RNA) where: Base-Base interactions energy: -916.919 where: short stacking energy: -428.074 Base-Backbone interact. energy: -2.965 local terms energy: -556.513447 where: bonds (distance) C4'-P energy: -128.193 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -127.387 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: -77.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -860.446058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.446058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.446058 (E_RNA) where: Base-Base interactions energy: -404.724 where: short stacking energy: -250.996 Base-Backbone interact. energy: -0.658 local terms energy: -455.063870 where: bonds (distance) C4'-P energy: -130.912 bonds (distance) P-C4' energy: -149.631 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -81.278 tors. eta vs tors. theta energy: 14.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -822.780589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.780589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.780589 (E_RNA) where: Base-Base interactions energy: -397.060 where: short stacking energy: -229.490 Base-Backbone interact. energy: 1.341 local terms energy: -427.061376 where: bonds (distance) C4'-P energy: -137.229 bonds (distance) P-C4' energy: -134.068 flat angles C4'-P-C4' energy: -120.337 flat angles P-C4'-P energy: -51.556 tors. eta vs tors. theta energy: 16.128 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: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2864.636814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.636814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.636814 (E_RNA) where: Base-Base interactions energy: -1952.111 where: short stacking energy: -839.030 Base-Backbone interact. energy: -2.674 local terms energy: -909.852367 where: bonds (distance) C4'-P energy: -163.954 bonds (distance) P-C4' energy: -175.918 flat angles C4'-P-C4' energy: -189.217 flat angles P-C4'-P energy: -138.339 tors. eta vs tors. theta energy: -242.424 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: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2716.287146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.287146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.287146 (E_RNA) where: Base-Base interactions energy: -1871.799 where: short stacking energy: -774.578 Base-Backbone interact. energy: -5.617 local terms energy: -838.871314 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -183.736 flat angles P-C4'-P energy: -126.031 tors. eta vs tors. theta energy: -224.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2598.246176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.246176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.246176 (E_RNA) where: Base-Base interactions energy: -1777.001 where: short stacking energy: -742.331 Base-Backbone interact. energy: -9.682 local terms energy: -811.563875 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -160.996 flat angles C4'-P-C4' energy: -171.948 flat angles P-C4'-P energy: -116.568 tors. eta vs tors. theta energy: -215.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2514.834098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.834098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.834098 (E_RNA) where: Base-Base interactions energy: -1707.112 where: short stacking energy: -755.789 Base-Backbone interact. energy: -3.277 local terms energy: -804.445041 where: bonds (distance) C4'-P energy: -153.590 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -180.462 flat angles P-C4'-P energy: -116.585 tors. eta vs tors. theta energy: -202.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2154.989012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.989012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.989012 (E_RNA) where: Base-Base interactions energy: -1459.619 where: short stacking energy: -632.110 Base-Backbone interact. energy: 4.792 local terms energy: -700.162372 where: bonds (distance) C4'-P energy: -138.919 bonds (distance) P-C4' energy: -146.333 flat angles C4'-P-C4' energy: -167.073 flat angles P-C4'-P energy: -83.687 tors. eta vs tors. theta energy: -164.151 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: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2063.067962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.067962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.067962 (E_RNA) where: Base-Base interactions energy: -1402.149 where: short stacking energy: -572.354 Base-Backbone interact. energy: -1.906 local terms energy: -659.013385 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -140.537 flat angles C4'-P-C4' energy: -157.523 flat angles P-C4'-P energy: -74.140 tors. eta vs tors. theta energy: -148.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1785.874125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.874125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.874125 (E_RNA) where: Base-Base interactions energy: -1181.723 where: short stacking energy: -515.399 Base-Backbone interact. energy: 1.094 local terms energy: -605.245063 where: bonds (distance) C4'-P energy: -114.849 bonds (distance) P-C4' energy: -144.918 flat angles C4'-P-C4' energy: -132.409 flat angles P-C4'-P energy: -85.144 tors. eta vs tors. theta energy: -127.925 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: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1428.382658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.382658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.382658 (E_RNA) where: Base-Base interactions energy: -887.179 where: short stacking energy: -405.615 Base-Backbone interact. energy: 2.932 local terms energy: -544.136325 where: bonds (distance) C4'-P energy: -137.442 bonds (distance) P-C4' energy: -139.850 flat angles C4'-P-C4' energy: -130.317 flat angles P-C4'-P energy: -73.393 tors. eta vs tors. theta energy: -63.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -866.730612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.730612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.730612 (E_RNA) where: Base-Base interactions energy: -382.654 where: short stacking energy: -241.485 Base-Backbone interact. energy: 1.181 local terms energy: -485.258082 where: bonds (distance) C4'-P energy: -138.484 bonds (distance) P-C4' energy: -156.455 flat angles C4'-P-C4' energy: -114.924 flat angles P-C4'-P energy: -69.223 tors. eta vs tors. theta energy: -6.171 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: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -815.030402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.030402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.030402 (E_RNA) where: Base-Base interactions energy: -377.949 where: short stacking energy: -228.648 Base-Backbone interact. energy: 0.791 local terms energy: -437.872099 where: bonds (distance) C4'-P energy: -130.422 bonds (distance) P-C4' energy: -141.628 flat angles C4'-P-C4' energy: -104.407 flat angles P-C4'-P energy: -78.019 tors. eta vs tors. theta energy: 16.605 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: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2872.769562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.769562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.769562 (E_RNA) where: Base-Base interactions energy: -1993.946 where: short stacking energy: -863.976 Base-Backbone interact. energy: -1.723 local terms energy: -877.100741 where: bonds (distance) C4'-P energy: -140.941 bonds (distance) P-C4' energy: -178.117 flat angles C4'-P-C4' energy: -184.076 flat angles P-C4'-P energy: -124.013 tors. eta vs tors. theta energy: -249.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2700.410464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.410464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.410464 (E_RNA) where: Base-Base interactions energy: -1859.757 where: short stacking energy: -779.203 Base-Backbone interact. energy: -5.743 local terms energy: -834.910957 where: bonds (distance) C4'-P energy: -148.224 bonds (distance) P-C4' energy: -161.474 flat angles C4'-P-C4' energy: -174.310 flat angles P-C4'-P energy: -114.444 tors. eta vs tors. theta energy: -236.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2553.803951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.803951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.803951 (E_RNA) where: Base-Base interactions energy: -1718.417 where: short stacking energy: -737.360 Base-Backbone interact. energy: 0.953 local terms energy: -836.340026 where: bonds (distance) C4'-P energy: -158.775 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -177.896 flat angles P-C4'-P energy: -122.675 tors. eta vs tors. theta energy: -224.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2474.310777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.310777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.310777 (E_RNA) where: Base-Base interactions energy: -1686.818 where: short stacking energy: -708.248 Base-Backbone interact. energy: 8.363 local terms energy: -795.855878 where: bonds (distance) C4'-P energy: -144.801 bonds (distance) P-C4' energy: -158.424 flat angles C4'-P-C4' energy: -177.426 flat angles P-C4'-P energy: -109.462 tors. eta vs tors. theta energy: -205.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2162.835093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.835093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.835093 (E_RNA) where: Base-Base interactions energy: -1444.714 where: short stacking energy: -613.856 Base-Backbone interact. energy: 2.811 local terms energy: -720.931539 where: bonds (distance) C4'-P energy: -144.236 bonds (distance) P-C4' energy: -149.092 flat angles C4'-P-C4' energy: -168.914 flat angles P-C4'-P energy: -102.103 tors. eta vs tors. theta energy: -156.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2068.552097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.552097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.552097 (E_RNA) where: Base-Base interactions energy: -1398.139 where: short stacking energy: -599.157 Base-Backbone interact. energy: -5.740 local terms energy: -664.672654 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -128.410 flat angles C4'-P-C4' energy: -150.743 flat angles P-C4'-P energy: -90.488 tors. eta vs tors. theta energy: -156.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1823.070638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.070638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.070638 (E_RNA) where: Base-Base interactions energy: -1168.049 where: short stacking energy: -504.449 Base-Backbone interact. energy: -1.287 local terms energy: -653.734118 where: bonds (distance) C4'-P energy: -134.487 bonds (distance) P-C4' energy: -153.308 flat angles C4'-P-C4' energy: -157.728 flat angles P-C4'-P energy: -102.090 tors. eta vs tors. theta energy: -106.121 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: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1416.014435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.014435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.014435 (E_RNA) where: Base-Base interactions energy: -857.294 where: short stacking energy: -374.335 Base-Backbone interact. energy: -1.246 local terms energy: -557.474289 where: bonds (distance) C4'-P energy: -151.644 bonds (distance) P-C4' energy: -126.412 flat angles C4'-P-C4' energy: -123.376 flat angles P-C4'-P energy: -91.530 tors. eta vs tors. theta energy: -64.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -882.935182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.935182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.935182 (E_RNA) where: Base-Base interactions energy: -418.407 where: short stacking energy: -251.709 Base-Backbone interact. energy: 1.356 local terms energy: -465.884154 where: bonds (distance) C4'-P energy: -118.508 bonds (distance) P-C4' energy: -137.442 flat angles C4'-P-C4' energy: -109.971 flat angles P-C4'-P energy: -94.011 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -819.717874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.717874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.717874 (E_RNA) where: Base-Base interactions energy: -378.614 where: short stacking energy: -210.726 Base-Backbone interact. energy: 3.336 local terms energy: -444.439415 where: bonds (distance) C4'-P energy: -111.777 bonds (distance) P-C4' energy: -157.444 flat angles C4'-P-C4' energy: -119.735 flat angles P-C4'-P energy: -57.735 tors. eta vs tors. theta energy: 2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2841.906180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.906180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.906180 (E_RNA) where: Base-Base interactions energy: -1965.303 where: short stacking energy: -840.174 Base-Backbone interact. energy: -2.051 local terms energy: -874.552137 where: bonds (distance) C4'-P energy: -157.483 bonds (distance) P-C4' energy: -171.896 flat angles C4'-P-C4' energy: -195.052 flat angles P-C4'-P energy: -108.276 tors. eta vs tors. theta energy: -241.845 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: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2727.537938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.537938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.537938 (E_RNA) where: Base-Base interactions energy: -1877.221 where: short stacking energy: -792.074 Base-Backbone interact. energy: -4.150 local terms energy: -846.167011 where: bonds (distance) C4'-P energy: -155.139 bonds (distance) P-C4' energy: -155.789 flat angles C4'-P-C4' energy: -190.686 flat angles P-C4'-P energy: -102.456 tors. eta vs tors. theta energy: -242.098 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: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2610.430936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.430936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.430936 (E_RNA) where: Base-Base interactions energy: -1780.418 where: short stacking energy: -757.219 Base-Backbone interact. energy: -6.860 local terms energy: -823.152754 where: bonds (distance) C4'-P energy: -148.377 bonds (distance) P-C4' energy: -164.061 flat angles C4'-P-C4' energy: -178.479 flat angles P-C4'-P energy: -109.750 tors. eta vs tors. theta energy: -222.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2485.183697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.183697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.183697 (E_RNA) where: Base-Base interactions energy: -1689.319 where: short stacking energy: -733.249 Base-Backbone interact. energy: 0.840 local terms energy: -796.705506 where: bonds (distance) C4'-P energy: -139.174 bonds (distance) P-C4' energy: -159.808 flat angles C4'-P-C4' energy: -178.549 flat angles P-C4'-P energy: -119.556 tors. eta vs tors. theta energy: -199.619 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: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2156.549053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.549053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.549053 (E_RNA) where: Base-Base interactions energy: -1450.752 where: short stacking energy: -611.153 Base-Backbone interact. energy: -0.608 local terms energy: -705.189159 where: bonds (distance) C4'-P energy: -132.841 bonds (distance) P-C4' energy: -160.012 flat angles C4'-P-C4' energy: -159.963 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -157.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2079.472154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.472154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.472154 (E_RNA) where: Base-Base interactions energy: -1349.597 where: short stacking energy: -599.856 Base-Backbone interact. energy: 0.134 local terms energy: -730.008766 where: bonds (distance) C4'-P energy: -150.741 bonds (distance) P-C4' energy: -148.350 flat angles C4'-P-C4' energy: -163.444 flat angles P-C4'-P energy: -90.023 tors. eta vs tors. theta energy: -177.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1798.748205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.748205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.748205 (E_RNA) where: Base-Base interactions energy: -1164.083 where: short stacking energy: -513.967 Base-Backbone interact. energy: 4.744 local terms energy: -639.409293 where: bonds (distance) C4'-P energy: -134.727 bonds (distance) P-C4' energy: -142.719 flat angles C4'-P-C4' energy: -155.376 flat angles P-C4'-P energy: -88.906 tors. eta vs tors. theta energy: -117.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1490.579640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.579640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.579640 (E_RNA) where: Base-Base interactions energy: -906.144 where: short stacking energy: -413.045 Base-Backbone interact. energy: -1.437 local terms energy: -582.998834 where: bonds (distance) C4'-P energy: -131.229 bonds (distance) P-C4' energy: -143.436 flat angles C4'-P-C4' energy: -122.904 flat angles P-C4'-P energy: -96.616 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: 9, replica: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -929.596295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.596295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.596295 (E_RNA) where: Base-Base interactions energy: -482.038 where: short stacking energy: -285.369 Base-Backbone interact. energy: 0.075 local terms energy: -447.632930 where: bonds (distance) C4'-P energy: -135.477 bonds (distance) P-C4' energy: -118.001 flat angles C4'-P-C4' energy: -122.407 flat angles P-C4'-P energy: -59.203 tors. eta vs tors. theta energy: -12.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -832.763685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.763685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.763685 (E_RNA) where: Base-Base interactions energy: -381.224 where: short stacking energy: -221.315 Base-Backbone interact. energy: 5.042 local terms energy: -456.581997 where: bonds (distance) C4'-P energy: -133.186 bonds (distance) P-C4' energy: -123.015 flat angles C4'-P-C4' energy: -129.886 flat angles P-C4'-P energy: -86.993 tors. eta vs tors. theta energy: 16.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2840.273587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.273587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.273587 (E_RNA) where: Base-Base interactions energy: -1973.607 where: short stacking energy: -841.663 Base-Backbone interact. energy: -0.346 local terms energy: -866.319892 where: bonds (distance) C4'-P energy: -146.229 bonds (distance) P-C4' energy: -155.297 flat angles C4'-P-C4' energy: -192.209 flat angles P-C4'-P energy: -125.013 tors. eta vs tors. theta energy: -247.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2756.058667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.058667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.058667 (E_RNA) where: Base-Base interactions energy: -1895.625 where: short stacking energy: -783.620 Base-Backbone interact. energy: 0.666 local terms energy: -861.099671 where: bonds (distance) C4'-P energy: -150.798 bonds (distance) P-C4' energy: -169.810 flat angles C4'-P-C4' energy: -186.022 flat angles P-C4'-P energy: -122.615 tors. eta vs tors. theta energy: -231.855 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: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2600.676947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.676947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.676947 (E_RNA) where: Base-Base interactions energy: -1760.524 where: short stacking energy: -736.469 Base-Backbone interact. energy: -5.085 local terms energy: -835.068402 where: bonds (distance) C4'-P energy: -151.443 bonds (distance) P-C4' energy: -164.393 flat angles C4'-P-C4' energy: -178.879 flat angles P-C4'-P energy: -116.420 tors. eta vs tors. theta energy: -223.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2476.770659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.770659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.770659 (E_RNA) where: Base-Base interactions energy: -1655.381 where: short stacking energy: -703.575 Base-Backbone interact. energy: -2.958 local terms energy: -818.431737 where: bonds (distance) C4'-P energy: -168.288 bonds (distance) P-C4' energy: -168.859 flat angles C4'-P-C4' energy: -174.373 flat angles P-C4'-P energy: -117.940 tors. eta vs tors. theta energy: -188.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2249.706447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.706447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.706447 (E_RNA) where: Base-Base interactions energy: -1474.180 where: short stacking energy: -635.752 Base-Backbone interact. energy: -0.517 local terms energy: -775.009765 where: bonds (distance) C4'-P energy: -146.108 bonds (distance) P-C4' energy: -180.201 flat angles C4'-P-C4' energy: -165.276 flat angles P-C4'-P energy: -116.309 tors. eta vs tors. theta energy: -167.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2072.049786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.049786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.049786 (E_RNA) where: Base-Base interactions energy: -1415.733 where: short stacking energy: -593.435 Base-Backbone interact. energy: -3.071 local terms energy: -653.245365 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -132.046 flat angles C4'-P-C4' energy: -151.033 flat angles P-C4'-P energy: -84.032 tors. eta vs tors. theta energy: -151.929 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: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1838.380543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.380543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.380543 (E_RNA) where: Base-Base interactions energy: -1177.576 where: short stacking energy: -529.759 Base-Backbone interact. energy: -4.209 local terms energy: -656.595709 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -145.731 flat angles C4'-P-C4' energy: -148.109 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -123.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1429.727053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.727053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.727053 (E_RNA) where: Base-Base interactions energy: -883.781 where: short stacking energy: -408.877 Base-Backbone interact. energy: 6.956 local terms energy: -552.902276 where: bonds (distance) C4'-P energy: -146.263 bonds (distance) P-C4' energy: -124.478 flat angles C4'-P-C4' energy: -130.095 flat angles P-C4'-P energy: -84.227 tors. eta vs tors. theta energy: -67.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -897.450638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.450638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.450638 (E_RNA) where: Base-Base interactions energy: -443.239 where: short stacking energy: -257.235 Base-Backbone interact. energy: 1.493 local terms energy: -455.704613 where: bonds (distance) C4'-P energy: -130.862 bonds (distance) P-C4' energy: -144.866 flat angles C4'-P-C4' energy: -114.152 flat angles P-C4'-P energy: -59.562 tors. eta vs tors. theta energy: -6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -793.869496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.869496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.869496 (E_RNA) where: Base-Base interactions energy: -362.263 where: short stacking energy: -231.210 Base-Backbone interact. energy: -2.377 local terms energy: -429.229913 where: bonds (distance) C4'-P energy: -120.236 bonds (distance) P-C4' energy: -139.949 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -57.321 tors. eta vs tors. theta energy: 15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2893.874268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.874268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.874268 (E_RNA) where: Base-Base interactions energy: -1983.767 where: short stacking energy: -854.656 Base-Backbone interact. energy: -1.062 local terms energy: -909.045301 where: bonds (distance) C4'-P energy: -166.287 bonds (distance) P-C4' energy: -177.694 flat angles C4'-P-C4' energy: -201.752 flat angles P-C4'-P energy: -118.638 tors. eta vs tors. theta energy: -244.675 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: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2739.569309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.569309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.569309 (E_RNA) where: Base-Base interactions energy: -1889.956 where: short stacking energy: -752.977 Base-Backbone interact. energy: -7.865 local terms energy: -841.748028 where: bonds (distance) C4'-P energy: -157.132 bonds (distance) P-C4' energy: -157.940 flat angles C4'-P-C4' energy: -175.389 flat angles P-C4'-P energy: -125.498 tors. eta vs tors. theta energy: -225.790 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: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2596.156700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.156700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.156700 (E_RNA) where: Base-Base interactions energy: -1762.823 where: short stacking energy: -747.545 Base-Backbone interact. energy: -5.395 local terms energy: -827.938257 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -155.481 flat angles C4'-P-C4' energy: -187.752 flat angles P-C4'-P energy: -119.619 tors. eta vs tors. theta energy: -222.153 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: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2461.703952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.703952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.703952 (E_RNA) where: Base-Base interactions energy: -1713.602 where: short stacking energy: -707.653 Base-Backbone interact. energy: -3.809 local terms energy: -744.292732 where: bonds (distance) C4'-P energy: -136.759 bonds (distance) P-C4' energy: -144.324 flat angles C4'-P-C4' energy: -161.462 flat angles P-C4'-P energy: -126.056 tors. eta vs tors. theta energy: -175.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2294.388519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.388519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.388519 (E_RNA) where: Base-Base interactions energy: -1551.365 where: short stacking energy: -667.859 Base-Backbone interact. energy: 0.588 local terms energy: -743.610636 where: bonds (distance) C4'-P energy: -148.209 bonds (distance) P-C4' energy: -156.370 flat angles C4'-P-C4' energy: -149.755 flat angles P-C4'-P energy: -101.924 tors. eta vs tors. theta energy: -187.352 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: 191 Temperature: 1.150000 Total energy: -2131.093489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.093489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.093489 (E_RNA) where: Base-Base interactions energy: -1396.251 where: short stacking energy: -618.307 Base-Backbone interact. energy: 1.989 local terms energy: -736.830939 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -143.671 flat angles C4'-P-C4' energy: -175.607 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -169.899 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: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1873.927347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.927347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.927347 (E_RNA) where: Base-Base interactions energy: -1210.205 where: short stacking energy: -520.722 Base-Backbone interact. energy: 0.116 local terms energy: -663.838128 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -143.147 flat angles P-C4'-P energy: -103.102 tors. eta vs tors. theta energy: -123.142 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: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1402.041725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.041725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.041725 (E_RNA) where: Base-Base interactions energy: -839.301 where: short stacking energy: -353.349 Base-Backbone interact. energy: -2.613 local terms energy: -560.127892 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -156.765 flat angles C4'-P-C4' energy: -139.444 flat angles P-C4'-P energy: -70.742 tors. eta vs tors. theta energy: -56.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -899.088095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.088095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.088095 (E_RNA) where: Base-Base interactions energy: -467.443 where: short stacking energy: -260.618 Base-Backbone interact. energy: 4.563 local terms energy: -436.207910 where: bonds (distance) C4'-P energy: -120.741 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -102.251 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: -15.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -811.999287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.999287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.999287 (E_RNA) where: Base-Base interactions energy: -417.912 where: short stacking energy: -225.159 Base-Backbone interact. energy: 4.264 local terms energy: -398.351362 where: bonds (distance) C4'-P energy: -111.257 bonds (distance) P-C4' energy: -126.665 flat angles C4'-P-C4' energy: -111.726 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: 15.409 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: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2861.617863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.617863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.617863 (E_RNA) where: Base-Base interactions energy: -1987.969 where: short stacking energy: -864.390 Base-Backbone interact. energy: -3.686 local terms energy: -869.963232 where: bonds (distance) C4'-P energy: -149.438 bonds (distance) P-C4' energy: -163.949 flat angles C4'-P-C4' energy: -183.242 flat angles P-C4'-P energy: -121.176 tors. eta vs tors. theta energy: -252.158 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: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2755.526176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.526176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.526176 (E_RNA) where: Base-Base interactions energy: -1912.429 where: short stacking energy: -765.779 Base-Backbone interact. energy: -2.076 local terms energy: -841.020988 where: bonds (distance) C4'-P energy: -171.527 bonds (distance) P-C4' energy: -151.550 flat angles C4'-P-C4' energy: -186.481 flat angles P-C4'-P energy: -117.326 tors. eta vs tors. theta energy: -214.137 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: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2575.099854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.099854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.099854 (E_RNA) where: Base-Base interactions energy: -1783.839 where: short stacking energy: -762.432 Base-Backbone interact. energy: -1.313 local terms energy: -789.947253 where: bonds (distance) C4'-P energy: -136.195 bonds (distance) P-C4' energy: -144.188 flat angles C4'-P-C4' energy: -178.009 flat angles P-C4'-P energy: -101.603 tors. eta vs tors. theta energy: -229.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2496.397549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.397549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.397549 (E_RNA) where: Base-Base interactions energy: -1707.891 where: short stacking energy: -700.956 Base-Backbone interact. energy: -1.840 local terms energy: -786.666611 where: bonds (distance) C4'-P energy: -126.496 bonds (distance) P-C4' energy: -170.293 flat angles C4'-P-C4' energy: -175.928 flat angles P-C4'-P energy: -119.273 tors. eta vs tors. theta energy: -194.677 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: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2278.062332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.062332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.062332 (E_RNA) where: Base-Base interactions energy: -1533.605 where: short stacking energy: -646.832 Base-Backbone interact. energy: 0.962 local terms energy: -745.420201 where: bonds (distance) C4'-P energy: -150.091 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -158.540 flat angles P-C4'-P energy: -109.011 tors. eta vs tors. theta energy: -178.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2104.269932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.269932 (E_RNA) where: Base-Base interactions energy: -1420.153 where: short stacking energy: -610.846 Base-Backbone interact. energy: -2.606 local terms energy: -681.510358 where: bonds (distance) C4'-P energy: -133.247 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -110.693 tors. eta vs tors. theta energy: -152.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1782.300461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.300461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.300461 (E_RNA) where: Base-Base interactions energy: -1131.362 where: short stacking energy: -522.774 Base-Backbone interact. energy: -3.279 local terms energy: -647.659549 where: bonds (distance) C4'-P energy: -142.248 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -157.120 flat angles P-C4'-P energy: -87.709 tors. eta vs tors. theta energy: -122.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1302.467802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.467802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.467802 (E_RNA) where: Base-Base interactions energy: -794.816 where: short stacking energy: -367.577 Base-Backbone interact. energy: -0.308 local terms energy: -507.343252 where: bonds (distance) C4'-P energy: -131.325 bonds (distance) P-C4' energy: -119.037 flat angles C4'-P-C4' energy: -140.030 flat angles P-C4'-P energy: -75.094 tors. eta vs tors. theta energy: -41.858 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: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -893.900290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.900290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.900290 (E_RNA) where: Base-Base interactions energy: -450.226 where: short stacking energy: -265.755 Base-Backbone interact. energy: 3.472 local terms energy: -447.145818 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -140.123 flat angles C4'-P-C4' energy: -111.334 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -8.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -841.106627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.106627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.106627 (E_RNA) where: Base-Base interactions energy: -428.715 where: short stacking energy: -251.031 Base-Backbone interact. energy: 7.310 local terms energy: -419.702015 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -141.295 flat angles C4'-P-C4' energy: -99.158 flat angles P-C4'-P energy: -68.366 tors. eta vs tors. theta energy: 13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2877.269390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.269390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.269390 (E_RNA) where: Base-Base interactions energy: -1986.328 where: short stacking energy: -829.651 Base-Backbone interact. energy: -4.308 local terms energy: -886.633212 where: bonds (distance) C4'-P energy: -162.877 bonds (distance) P-C4' energy: -173.130 flat angles C4'-P-C4' energy: -178.806 flat angles P-C4'-P energy: -124.008 tors. eta vs tors. theta energy: -247.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2748.739670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.739670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.739670 (E_RNA) where: Base-Base interactions energy: -1883.746 where: short stacking energy: -776.417 Base-Backbone interact. energy: -3.172 local terms energy: -861.821455 where: bonds (distance) C4'-P energy: -167.311 bonds (distance) P-C4' energy: -167.862 flat angles C4'-P-C4' energy: -179.412 flat angles P-C4'-P energy: -119.543 tors. eta vs tors. theta energy: -227.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2589.570230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.570230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.570230 (E_RNA) where: Base-Base interactions energy: -1766.075 where: short stacking energy: -744.540 Base-Backbone interact. energy: -2.002 local terms energy: -821.492989 where: bonds (distance) C4'-P energy: -154.396 bonds (distance) P-C4' energy: -153.587 flat angles C4'-P-C4' energy: -180.896 flat angles P-C4'-P energy: -106.491 tors. eta vs tors. theta energy: -226.123 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: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2450.775248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.775248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.775248 (E_RNA) where: Base-Base interactions energy: -1674.970 where: short stacking energy: -694.149 Base-Backbone interact. energy: -5.470 local terms energy: -770.335088 where: bonds (distance) C4'-P energy: -150.184 bonds (distance) P-C4' energy: -153.346 flat angles C4'-P-C4' energy: -175.387 flat angles P-C4'-P energy: -101.055 tors. eta vs tors. theta energy: -190.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2263.477163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.477163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.477163 (E_RNA) where: Base-Base interactions energy: -1549.525 where: short stacking energy: -672.673 Base-Backbone interact. energy: -2.097 local terms energy: -711.855577 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -158.739 flat angles P-C4'-P energy: -95.042 tors. eta vs tors. theta energy: -180.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2040.440361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.440361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.440361 (E_RNA) where: Base-Base interactions energy: -1364.902 where: short stacking energy: -572.097 Base-Backbone interact. energy: 0.651 local terms energy: -676.189226 where: bonds (distance) C4'-P energy: -128.549 bonds (distance) P-C4' energy: -143.890 flat angles C4'-P-C4' energy: -158.363 flat angles P-C4'-P energy: -94.356 tors. eta vs tors. theta energy: -151.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1818.209597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.209597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.209597 (E_RNA) where: Base-Base interactions energy: -1176.373 where: short stacking energy: -515.095 Base-Backbone interact. energy: 0.536 local terms energy: -642.372265 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -155.511 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -100.687 tors. eta vs tors. theta energy: -101.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1413.786764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.786764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.786764 (E_RNA) where: Base-Base interactions energy: -843.855 where: short stacking energy: -394.634 Base-Backbone interact. energy: 0.046 local terms energy: -569.977267 where: bonds (distance) C4'-P energy: -145.058 bonds (distance) P-C4' energy: -140.544 flat angles C4'-P-C4' energy: -130.404 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -63.813 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: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -856.227545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.227545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.227545 (E_RNA) where: Base-Base interactions energy: -423.620 where: short stacking energy: -235.332 Base-Backbone interact. energy: -5.470 local terms energy: -427.137760 where: bonds (distance) C4'-P energy: -125.303 bonds (distance) P-C4' energy: -112.032 flat angles C4'-P-C4' energy: -133.963 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -801.089953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.089953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.089953 (E_RNA) where: Base-Base interactions energy: -378.224 where: short stacking energy: -223.250 Base-Backbone interact. energy: -0.151 local terms energy: -422.714798 where: bonds (distance) C4'-P energy: -127.042 bonds (distance) P-C4' energy: -155.913 flat angles C4'-P-C4' energy: -98.287 flat angles P-C4'-P energy: -58.331 tors. eta vs tors. theta energy: 16.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2882.175954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.175954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.175954 (E_RNA) where: Base-Base interactions energy: -1984.494 where: short stacking energy: -837.670 Base-Backbone interact. energy: -2.424 local terms energy: -895.257901 where: bonds (distance) C4'-P energy: -162.653 bonds (distance) P-C4' energy: -183.279 flat angles C4'-P-C4' energy: -182.451 flat angles P-C4'-P energy: -116.602 tors. eta vs tors. theta energy: -250.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2708.603524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.603524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.603524 (E_RNA) where: Base-Base interactions energy: -1848.357 where: short stacking energy: -771.601 Base-Backbone interact. energy: -3.522 local terms energy: -856.724558 where: bonds (distance) C4'-P energy: -151.505 bonds (distance) P-C4' energy: -160.474 flat angles C4'-P-C4' energy: -193.150 flat angles P-C4'-P energy: -120.474 tors. eta vs tors. theta energy: -231.121 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: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2599.332557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.332557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.332557 (E_RNA) where: Base-Base interactions energy: -1785.536 where: short stacking energy: -741.996 Base-Backbone interact. energy: -4.239 local terms energy: -809.557023 where: bonds (distance) C4'-P energy: -151.874 bonds (distance) P-C4' energy: -151.054 flat angles C4'-P-C4' energy: -184.357 flat angles P-C4'-P energy: -112.018 tors. eta vs tors. theta energy: -210.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2428.856868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.856868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.856868 (E_RNA) where: Base-Base interactions energy: -1660.126 where: short stacking energy: -689.789 Base-Backbone interact. energy: -4.634 local terms energy: -764.096895 where: bonds (distance) C4'-P energy: -160.162 bonds (distance) P-C4' energy: -144.926 flat angles C4'-P-C4' energy: -170.956 flat angles P-C4'-P energy: -98.033 tors. eta vs tors. theta energy: -190.020 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: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2259.863139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.863139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.863139 (E_RNA) where: Base-Base interactions energy: -1511.072 where: short stacking energy: -614.652 Base-Backbone interact. energy: 1.242 local terms energy: -750.032549 where: bonds (distance) C4'-P energy: -155.688 bonds (distance) P-C4' energy: -158.080 flat angles C4'-P-C4' energy: -179.288 flat angles P-C4'-P energy: -98.419 tors. eta vs tors. theta energy: -158.558 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: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2067.385794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.385794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.385794 (E_RNA) where: Base-Base interactions energy: -1391.518 where: short stacking energy: -565.739 Base-Backbone interact. energy: -3.057 local terms energy: -672.810097 where: bonds (distance) C4'-P energy: -136.735 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -163.007 flat angles P-C4'-P energy: -103.285 tors. eta vs tors. theta energy: -135.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1867.398869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.398869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.398869 (E_RNA) where: Base-Base interactions energy: -1178.271 where: short stacking energy: -528.814 Base-Backbone interact. energy: -3.962 local terms energy: -685.165764 where: bonds (distance) C4'-P energy: -134.991 bonds (distance) P-C4' energy: -153.209 flat angles C4'-P-C4' energy: -164.711 flat angles P-C4'-P energy: -109.127 tors. eta vs tors. theta energy: -123.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1358.338346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.338346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.338346 (E_RNA) where: Base-Base interactions energy: -845.510 where: short stacking energy: -380.736 Base-Backbone interact. energy: -0.415 local terms energy: -512.413253 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -113.173 flat angles C4'-P-C4' energy: -115.837 flat angles P-C4'-P energy: -73.441 tors. eta vs tors. theta energy: -53.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -829.472276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.472276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.472276 (E_RNA) where: Base-Base interactions energy: -388.399 where: short stacking energy: -217.982 Base-Backbone interact. energy: 0.923 local terms energy: -441.995725 where: bonds (distance) C4'-P energy: -138.516 bonds (distance) P-C4' energy: -142.016 flat angles C4'-P-C4' energy: -117.419 flat angles P-C4'-P energy: -68.050 tors. eta vs tors. theta energy: 24.006 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: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -831.935721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.935721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.935721 (E_RNA) where: Base-Base interactions energy: -414.296 where: short stacking energy: -241.187 Base-Backbone interact. energy: -2.849 local terms energy: -414.790272 where: bonds (distance) C4'-P energy: -103.394 bonds (distance) P-C4' energy: -123.040 flat angles C4'-P-C4' energy: -115.617 flat angles P-C4'-P energy: -82.476 tors. eta vs tors. theta energy: 9.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2903.065140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.065140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.065140 (E_RNA) where: Base-Base interactions energy: -2015.922 where: short stacking energy: -843.063 Base-Backbone interact. energy: -5.079 local terms energy: -882.064334 where: bonds (distance) C4'-P energy: -161.855 bonds (distance) P-C4' energy: -168.862 flat angles C4'-P-C4' energy: -184.961 flat angles P-C4'-P energy: -110.136 tors. eta vs tors. theta energy: -256.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2751.454048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.454048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.454048 (E_RNA) where: Base-Base interactions energy: -1906.056 where: short stacking energy: -777.885 Base-Backbone interact. energy: -6.627 local terms energy: -838.771095 where: bonds (distance) C4'-P energy: -160.982 bonds (distance) P-C4' energy: -144.200 flat angles C4'-P-C4' energy: -183.841 flat angles P-C4'-P energy: -127.935 tors. eta vs tors. theta energy: -221.813 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: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2596.808870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.808870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.808870 (E_RNA) where: Base-Base interactions energy: -1766.118 where: short stacking energy: -761.276 Base-Backbone interact. energy: -3.693 local terms energy: -826.997728 where: bonds (distance) C4'-P energy: -144.206 bonds (distance) P-C4' energy: -169.958 flat angles C4'-P-C4' energy: -174.179 flat angles P-C4'-P energy: -119.060 tors. eta vs tors. theta energy: -219.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2422.799899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.799899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.799899 (E_RNA) where: Base-Base interactions energy: -1626.668 where: short stacking energy: -685.801 Base-Backbone interact. energy: 0.816 local terms energy: -796.948307 where: bonds (distance) C4'-P energy: -164.580 bonds (distance) P-C4' energy: -158.275 flat angles C4'-P-C4' energy: -179.866 flat angles P-C4'-P energy: -115.375 tors. eta vs tors. theta energy: -178.853 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: 195 Temperature: 1.100000 Total energy: -2282.021122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.021122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.021122 (E_RNA) where: Base-Base interactions energy: -1534.342 where: short stacking energy: -641.321 Base-Backbone interact. energy: -4.667 local terms energy: -743.011822 where: bonds (distance) C4'-P energy: -152.609 bonds (distance) P-C4' energy: -164.180 flat angles C4'-P-C4' energy: -149.671 flat angles P-C4'-P energy: -104.098 tors. eta vs tors. theta energy: -172.453 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: 195 Temperature: 1.150000 Total energy: -2071.097462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.097462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.097462 (E_RNA) where: Base-Base interactions energy: -1372.838 where: short stacking energy: -586.394 Base-Backbone interact. energy: -3.754 local terms energy: -694.505850 where: bonds (distance) C4'-P energy: -137.233 bonds (distance) P-C4' energy: -142.606 flat angles C4'-P-C4' energy: -161.579 flat angles P-C4'-P energy: -104.758 tors. eta vs tors. theta energy: -148.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1829.904356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.904356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.904356 (E_RNA) where: Base-Base interactions energy: -1173.538 where: short stacking energy: -555.930 Base-Backbone interact. energy: -3.054 local terms energy: -653.313057 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -126.004 flat angles C4'-P-C4' energy: -154.581 flat angles P-C4'-P energy: -100.840 tors. eta vs tors. theta energy: -146.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1463.935302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.935302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.935302 (E_RNA) where: Base-Base interactions energy: -867.792 where: short stacking energy: -414.937 Base-Backbone interact. energy: -3.002 local terms energy: -593.141295 where: bonds (distance) C4'-P energy: -126.812 bonds (distance) P-C4' energy: -150.721 flat angles C4'-P-C4' energy: -137.436 flat angles P-C4'-P energy: -101.192 tors. eta vs tors. theta energy: -76.981 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: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -928.474715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.474715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.474715 (E_RNA) where: Base-Base interactions energy: -434.883 where: short stacking energy: -275.489 Base-Backbone interact. energy: 0.129 local terms energy: -493.720926 where: bonds (distance) C4'-P energy: -109.686 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -136.660 flat angles P-C4'-P energy: -84.672 tors. eta vs tors. theta energy: -22.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -788.940721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.940721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.940721 (E_RNA) where: Base-Base interactions energy: -363.622 where: short stacking energy: -210.357 Base-Backbone interact. energy: 0.632 local terms energy: -425.951490 where: bonds (distance) C4'-P energy: -121.232 bonds (distance) P-C4' energy: -135.542 flat angles C4'-P-C4' energy: -117.557 flat angles P-C4'-P energy: -60.389 tors. eta vs tors. theta energy: 8.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2874.929159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.929159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.929159 (E_RNA) where: Base-Base interactions energy: -1982.873 where: short stacking energy: -854.137 Base-Backbone interact. energy: -4.948 local terms energy: -887.109084 where: bonds (distance) C4'-P energy: -159.894 bonds (distance) P-C4' energy: -166.581 flat angles C4'-P-C4' energy: -183.653 flat angles P-C4'-P energy: -133.313 tors. eta vs tors. theta energy: -243.667 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: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2711.234459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.234459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.234459 (E_RNA) where: Base-Base interactions energy: -1884.600 where: short stacking energy: -752.287 Base-Backbone interact. energy: -3.652 local terms energy: -822.982764 where: bonds (distance) C4'-P energy: -148.025 bonds (distance) P-C4' energy: -162.679 flat angles C4'-P-C4' energy: -171.120 flat angles P-C4'-P energy: -120.808 tors. eta vs tors. theta energy: -220.351 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: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2544.626758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.626758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.626758 (E_RNA) where: Base-Base interactions energy: -1738.827 where: short stacking energy: -724.113 Base-Backbone interact. energy: -3.580 local terms energy: -802.220506 where: bonds (distance) C4'-P energy: -162.212 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -173.207 flat angles P-C4'-P energy: -116.975 tors. eta vs tors. theta energy: -201.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2428.930872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.930872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.930872 (E_RNA) where: Base-Base interactions energy: -1677.892 where: short stacking energy: -713.985 Base-Backbone interact. energy: 1.842 local terms energy: -752.880486 where: bonds (distance) C4'-P energy: -122.286 bonds (distance) P-C4' energy: -152.543 flat angles C4'-P-C4' energy: -179.974 flat angles P-C4'-P energy: -104.274 tors. eta vs tors. theta energy: -193.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2231.373208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.373208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.373208 (E_RNA) where: Base-Base interactions energy: -1475.527 where: short stacking energy: -642.068 Base-Backbone interact. energy: -1.931 local terms energy: -753.915065 where: bonds (distance) C4'-P energy: -156.008 bonds (distance) P-C4' energy: -167.364 flat angles C4'-P-C4' energy: -161.018 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -181.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2047.969819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.969819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.969819 (E_RNA) where: Base-Base interactions energy: -1372.284 where: short stacking energy: -583.362 Base-Backbone interact. energy: 4.217 local terms energy: -679.903319 where: bonds (distance) C4'-P energy: -140.632 bonds (distance) P-C4' energy: -139.616 flat angles C4'-P-C4' energy: -163.453 flat angles P-C4'-P energy: -89.888 tors. eta vs tors. theta energy: -146.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1838.997170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.997170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.997170 (E_RNA) where: Base-Base interactions energy: -1224.751 where: short stacking energy: -557.132 Base-Backbone interact. energy: 1.203 local terms energy: -615.448689 where: bonds (distance) C4'-P energy: -135.689 bonds (distance) P-C4' energy: -140.370 flat angles C4'-P-C4' energy: -136.490 flat angles P-C4'-P energy: -86.850 tors. eta vs tors. theta energy: -116.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1454.490226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.490226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.490226 (E_RNA) where: Base-Base interactions energy: -868.902 where: short stacking energy: -397.654 Base-Backbone interact. energy: -0.232 local terms energy: -585.356119 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -144.810 flat angles C4'-P-C4' energy: -129.291 flat angles P-C4'-P energy: -90.617 tors. eta vs tors. theta energy: -78.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -901.630643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.630643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.630643 (E_RNA) where: Base-Base interactions energy: -427.909 where: short stacking energy: -274.189 Base-Backbone interact. energy: 4.283 local terms energy: -478.005097 where: bonds (distance) C4'-P energy: -142.695 bonds (distance) P-C4' energy: -159.880 flat angles C4'-P-C4' energy: -91.516 flat angles P-C4'-P energy: -62.649 tors. eta vs tors. theta energy: -21.266 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: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -794.331798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.331798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.331798 (E_RNA) where: Base-Base interactions energy: -369.812 where: short stacking energy: -222.528 Base-Backbone interact. energy: 1.725 local terms energy: -426.245103 where: bonds (distance) C4'-P energy: -129.542 bonds (distance) P-C4' energy: -120.989 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -76.568 tors. eta vs tors. theta energy: 18.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2854.793462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.793462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.793462 (E_RNA) where: Base-Base interactions energy: -1957.895 where: short stacking energy: -846.195 Base-Backbone interact. energy: -2.652 local terms energy: -894.247294 where: bonds (distance) C4'-P energy: -155.534 bonds (distance) P-C4' energy: -172.967 flat angles C4'-P-C4' energy: -196.038 flat angles P-C4'-P energy: -127.320 tors. eta vs tors. theta energy: -242.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2746.173140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.173140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.173140 (E_RNA) where: Base-Base interactions energy: -1876.773 where: short stacking energy: -792.053 Base-Backbone interact. energy: -3.433 local terms energy: -865.967470 where: bonds (distance) C4'-P energy: -160.508 bonds (distance) P-C4' energy: -160.857 flat angles C4'-P-C4' energy: -183.341 flat angles P-C4'-P energy: -130.509 tors. eta vs tors. theta energy: -230.753 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: 197 Temperature: 1.000000 Total energy: -2555.695746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.695746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.695746 (E_RNA) where: Base-Base interactions energy: -1783.042 where: short stacking energy: -732.264 Base-Backbone interact. energy: -4.847 local terms energy: -767.807408 where: bonds (distance) C4'-P energy: -150.005 bonds (distance) P-C4' energy: -141.122 flat angles C4'-P-C4' energy: -162.125 flat angles P-C4'-P energy: -107.212 tors. eta vs tors. theta energy: -207.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2426.419504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.419504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.419504 (E_RNA) where: Base-Base interactions energy: -1614.220 where: short stacking energy: -696.956 Base-Backbone interact. energy: -1.555 local terms energy: -810.645084 where: bonds (distance) C4'-P energy: -169.098 bonds (distance) P-C4' energy: -165.197 flat angles C4'-P-C4' energy: -170.052 flat angles P-C4'-P energy: -110.253 tors. eta vs tors. theta energy: -196.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2273.555236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.555236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.555236 (E_RNA) where: Base-Base interactions energy: -1546.204 where: short stacking energy: -656.404 Base-Backbone interact. energy: 0.293 local terms energy: -727.644698 where: bonds (distance) C4'-P energy: -153.861 bonds (distance) P-C4' energy: -140.663 flat angles C4'-P-C4' energy: -156.703 flat angles P-C4'-P energy: -97.055 tors. eta vs tors. theta energy: -179.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2067.282668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.282668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.282668 (E_RNA) where: Base-Base interactions energy: -1395.629 where: short stacking energy: -597.724 Base-Backbone interact. energy: 2.429 local terms energy: -674.082282 where: bonds (distance) C4'-P energy: -138.908 bonds (distance) P-C4' energy: -127.103 flat angles C4'-P-C4' energy: -156.876 flat angles P-C4'-P energy: -94.874 tors. eta vs tors. theta energy: -156.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1775.634186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.634186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.634186 (E_RNA) where: Base-Base interactions energy: -1128.210 where: short stacking energy: -513.703 Base-Backbone interact. energy: 4.108 local terms energy: -651.531912 where: bonds (distance) C4'-P energy: -122.528 bonds (distance) P-C4' energy: -168.470 flat angles C4'-P-C4' energy: -154.481 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -113.065 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1481.214795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.214795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.214795 (E_RNA) where: Base-Base interactions energy: -886.748 where: short stacking energy: -406.315 Base-Backbone interact. energy: 3.158 local terms energy: -597.624554 where: bonds (distance) C4'-P energy: -112.242 bonds (distance) P-C4' energy: -163.469 flat angles C4'-P-C4' energy: -135.783 flat angles P-C4'-P energy: -101.567 tors. eta vs tors. theta energy: -84.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -881.508923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.508923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.508923 (E_RNA) where: Base-Base interactions energy: -429.502 where: short stacking energy: -277.369 Base-Backbone interact. energy: -1.826 local terms energy: -450.180689 where: bonds (distance) C4'-P energy: -116.628 bonds (distance) P-C4' energy: -146.303 flat angles C4'-P-C4' energy: -91.208 flat angles P-C4'-P energy: -89.837 tors. eta vs tors. theta energy: -6.204 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: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -854.097984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.097984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.097984 (E_RNA) where: Base-Base interactions energy: -398.198 where: short stacking energy: -243.278 Base-Backbone interact. energy: 5.164 local terms energy: -461.063476 where: bonds (distance) C4'-P energy: -137.293 bonds (distance) P-C4' energy: -150.146 flat angles C4'-P-C4' energy: -92.051 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2863.770084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.770084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.770084 (E_RNA) where: Base-Base interactions energy: -1976.686 where: short stacking energy: -845.476 Base-Backbone interact. energy: -3.070 local terms energy: -884.013389 where: bonds (distance) C4'-P energy: -165.508 bonds (distance) P-C4' energy: -169.236 flat angles C4'-P-C4' energy: -180.441 flat angles P-C4'-P energy: -121.459 tors. eta vs tors. theta energy: -247.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2721.857710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.857710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.857710 (E_RNA) where: Base-Base interactions energy: -1901.478 where: short stacking energy: -791.442 Base-Backbone interact. energy: -2.774 local terms energy: -817.606077 where: bonds (distance) C4'-P energy: -134.745 bonds (distance) P-C4' energy: -146.272 flat angles C4'-P-C4' energy: -180.492 flat angles P-C4'-P energy: -127.547 tors. eta vs tors. theta energy: -228.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2574.771563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.771563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.771563 (E_RNA) where: Base-Base interactions energy: -1773.492 where: short stacking energy: -740.548 Base-Backbone interact. energy: -3.626 local terms energy: -797.653357 where: bonds (distance) C4'-P energy: -149.434 bonds (distance) P-C4' energy: -152.238 flat angles C4'-P-C4' energy: -172.320 flat angles P-C4'-P energy: -112.413 tors. eta vs tors. theta energy: -211.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2452.873530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.873530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.873530 (E_RNA) where: Base-Base interactions energy: -1642.686 where: short stacking energy: -728.872 Base-Backbone interact. energy: -2.072 local terms energy: -808.115798 where: bonds (distance) C4'-P energy: -160.137 bonds (distance) P-C4' energy: -146.937 flat angles C4'-P-C4' energy: -186.020 flat angles P-C4'-P energy: -110.902 tors. eta vs tors. theta energy: -204.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2248.301016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.301016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.301016 (E_RNA) where: Base-Base interactions energy: -1521.081 where: short stacking energy: -664.499 Base-Backbone interact. energy: -0.395 local terms energy: -726.825228 where: bonds (distance) C4'-P energy: -153.140 bonds (distance) P-C4' energy: -137.975 flat angles C4'-P-C4' energy: -155.176 flat angles P-C4'-P energy: -104.628 tors. eta vs tors. theta energy: -175.906 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: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2047.856837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.856837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.856837 (E_RNA) where: Base-Base interactions energy: -1359.744 where: short stacking energy: -595.387 Base-Backbone interact. energy: 2.385 local terms energy: -690.497776 where: bonds (distance) C4'-P energy: -132.646 bonds (distance) P-C4' energy: -138.661 flat angles C4'-P-C4' energy: -158.690 flat angles P-C4'-P energy: -106.534 tors. eta vs tors. theta energy: -153.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1821.891689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.891689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.891689 (E_RNA) where: Base-Base interactions energy: -1171.123 where: short stacking energy: -513.778 Base-Backbone interact. energy: -1.184 local terms energy: -649.584432 where: bonds (distance) C4'-P energy: -132.406 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -143.218 flat angles P-C4'-P energy: -102.688 tors. eta vs tors. theta energy: -125.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1470.820468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.820468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.820468 (E_RNA) where: Base-Base interactions energy: -917.471 where: short stacking energy: -432.066 Base-Backbone interact. energy: 3.630 local terms energy: -556.979771 where: bonds (distance) C4'-P energy: -136.274 bonds (distance) P-C4' energy: -128.720 flat angles C4'-P-C4' energy: -137.093 flat angles P-C4'-P energy: -80.163 tors. eta vs tors. theta energy: -74.730 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: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -839.708664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.708664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.708664 (E_RNA) where: Base-Base interactions energy: -379.427 where: short stacking energy: -247.729 Base-Backbone interact. energy: -1.678 local terms energy: -458.603037 where: bonds (distance) C4'-P energy: -128.197 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -117.630 flat angles P-C4'-P energy: -88.827 tors. eta vs tors. theta energy: 17.396 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: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -821.453086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.453086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.453086 (E_RNA) where: Base-Base interactions energy: -409.005 where: short stacking energy: -267.330 Base-Backbone interact. energy: -1.271 local terms energy: -411.177313 where: bonds (distance) C4'-P energy: -117.220 bonds (distance) P-C4' energy: -115.964 flat angles C4'-P-C4' energy: -126.266 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -6.829 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: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2869.107432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.107432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.107432 (E_RNA) where: Base-Base interactions energy: -1993.331 where: short stacking energy: -847.370 Base-Backbone interact. energy: -0.365 local terms energy: -875.411211 where: bonds (distance) C4'-P energy: -156.808 bonds (distance) P-C4' energy: -159.015 flat angles C4'-P-C4' energy: -185.528 flat angles P-C4'-P energy: -133.645 tors. eta vs tors. theta energy: -240.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2728.388890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.388890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.388890 (E_RNA) where: Base-Base interactions energy: -1867.387 where: short stacking energy: -800.862 Base-Backbone interact. energy: 5.718 local terms energy: -866.720439 where: bonds (distance) C4'-P energy: -152.687 bonds (distance) P-C4' energy: -156.944 flat angles C4'-P-C4' energy: -190.611 flat angles P-C4'-P energy: -124.452 tors. eta vs tors. theta energy: -242.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2545.584823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.584823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.584823 (E_RNA) where: Base-Base interactions energy: -1744.484 where: short stacking energy: -706.602 Base-Backbone interact. energy: -8.457 local terms energy: -792.643413 where: bonds (distance) C4'-P energy: -154.714 bonds (distance) P-C4' energy: -162.231 flat angles C4'-P-C4' energy: -163.364 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -202.730 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: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2449.315380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.315380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.315380 (E_RNA) where: Base-Base interactions energy: -1647.526 where: short stacking energy: -701.981 Base-Backbone interact. energy: -1.631 local terms energy: -800.159029 where: bonds (distance) C4'-P energy: -143.391 bonds (distance) P-C4' energy: -160.029 flat angles C4'-P-C4' energy: -177.396 flat angles P-C4'-P energy: -117.472 tors. eta vs tors. theta energy: -201.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2278.906846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.906846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.906846 (E_RNA) where: Base-Base interactions energy: -1546.252 where: short stacking energy: -681.474 Base-Backbone interact. energy: -0.239 local terms energy: -732.416570 where: bonds (distance) C4'-P energy: -144.145 bonds (distance) P-C4' energy: -141.023 flat angles C4'-P-C4' energy: -169.498 flat angles P-C4'-P energy: -109.090 tors. eta vs tors. theta energy: -168.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2111.143548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.143548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.143548 (E_RNA) where: Base-Base interactions energy: -1420.012 where: short stacking energy: -627.899 Base-Backbone interact. energy: -4.048 local terms energy: -687.084210 where: bonds (distance) C4'-P energy: -103.546 bonds (distance) P-C4' energy: -148.264 flat angles C4'-P-C4' energy: -158.196 flat angles P-C4'-P energy: -99.729 tors. eta vs tors. theta energy: -177.349 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: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1801.671857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.671857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.671857 (E_RNA) where: Base-Base interactions energy: -1139.947 where: short stacking energy: -533.921 Base-Backbone interact. energy: -3.790 local terms energy: -657.934711 where: bonds (distance) C4'-P energy: -138.796 bonds (distance) P-C4' energy: -147.560 flat angles C4'-P-C4' energy: -144.356 flat angles P-C4'-P energy: -94.214 tors. eta vs tors. theta energy: -133.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1480.605182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.605182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.605182 (E_RNA) where: Base-Base interactions energy: -946.442 where: short stacking energy: -447.881 Base-Backbone interact. energy: 1.676 local terms energy: -535.839110 where: bonds (distance) C4'-P energy: -137.869 bonds (distance) P-C4' energy: -126.712 flat angles C4'-P-C4' energy: -142.408 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: -73.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -807.999820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.999820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.999820 (E_RNA) where: Base-Base interactions energy: -364.517 where: short stacking energy: -222.866 Base-Backbone interact. energy: -2.021 local terms energy: -441.461685 where: bonds (distance) C4'-P energy: -142.376 bonds (distance) P-C4' energy: -133.755 flat angles C4'-P-C4' energy: -125.062 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: 29.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -812.532897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.532897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.532897 (E_RNA) where: Base-Base interactions energy: -375.933 where: short stacking energy: -217.508 Base-Backbone interact. energy: -0.419 local terms energy: -436.180769 where: bonds (distance) C4'-P energy: -141.216 bonds (distance) P-C4' energy: -142.943 flat angles C4'-P-C4' energy: -113.107 flat angles P-C4'-P energy: -49.123 tors. eta vs tors. theta energy: 10.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2859.823640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.823640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.823640 (E_RNA) where: Base-Base interactions energy: -1960.641 where: short stacking energy: -832.128 Base-Backbone interact. energy: -4.569 local terms energy: -894.614069 where: bonds (distance) C4'-P energy: -165.389 bonds (distance) P-C4' energy: -160.190 flat angles C4'-P-C4' energy: -188.605 flat angles P-C4'-P energy: -128.927 tors. eta vs tors. theta energy: -251.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2725.960218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.960218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.960218 (E_RNA) where: Base-Base interactions energy: -1870.442 where: short stacking energy: -779.670 Base-Backbone interact. energy: -4.874 local terms energy: -850.643924 where: bonds (distance) C4'-P energy: -152.791 bonds (distance) P-C4' energy: -153.963 flat angles C4'-P-C4' energy: -189.686 flat angles P-C4'-P energy: -129.895 tors. eta vs tors. theta energy: -224.308 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: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2624.144697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.144697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.144697 (E_RNA) where: Base-Base interactions energy: -1781.831 where: short stacking energy: -776.004 Base-Backbone interact. energy: -3.890 local terms energy: -838.423969 where: bonds (distance) C4'-P energy: -154.565 bonds (distance) P-C4' energy: -171.351 flat angles C4'-P-C4' energy: -178.522 flat angles P-C4'-P energy: -107.872 tors. eta vs tors. theta energy: -226.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2473.812374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.812374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.812374 (E_RNA) where: Base-Base interactions energy: -1709.675 where: short stacking energy: -696.865 Base-Backbone interact. energy: -2.594 local terms energy: -761.544342 where: bonds (distance) C4'-P energy: -138.924 bonds (distance) P-C4' energy: -142.338 flat angles C4'-P-C4' energy: -174.473 flat angles P-C4'-P energy: -106.636 tors. eta vs tors. theta energy: -199.173 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: 200 Temperature: 1.100000 Total energy: -2249.485809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.485809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.485809 (E_RNA) where: Base-Base interactions energy: -1527.580 where: short stacking energy: -633.562 Base-Backbone interact. energy: -1.147 local terms energy: -720.757944 where: bonds (distance) C4'-P energy: -147.951 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -158.716 flat angles P-C4'-P energy: -103.153 tors. eta vs tors. theta energy: -162.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2028.011419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.011419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.011419 (E_RNA) where: Base-Base interactions energy: -1349.689 where: short stacking energy: -594.836 Base-Backbone interact. energy: -2.905 local terms energy: -675.417353 where: bonds (distance) C4'-P energy: -150.482 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -101.900 tors. eta vs tors. theta energy: -141.537 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: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1774.038287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.038287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.038287 (E_RNA) where: Base-Base interactions energy: -1145.868 where: short stacking energy: -530.476 Base-Backbone interact. energy: -2.204 local terms energy: -625.965943 where: bonds (distance) C4'-P energy: -127.196 bonds (distance) P-C4' energy: -142.087 flat angles C4'-P-C4' energy: -139.867 flat angles P-C4'-P energy: -91.748 tors. eta vs tors. theta energy: -125.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1474.553196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.553196 (E_RNA) where: Base-Base interactions energy: -926.065 where: short stacking energy: -398.909 Base-Backbone interact. energy: -1.855 local terms energy: -546.632754 where: bonds (distance) C4'-P energy: -125.140 bonds (distance) P-C4' energy: -145.843 flat angles C4'-P-C4' energy: -146.522 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -48.886 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: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -904.874972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.874972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.874972 (E_RNA) where: Base-Base interactions energy: -456.210 where: short stacking energy: -282.622 Base-Backbone interact. energy: -2.735 local terms energy: -445.930847 where: bonds (distance) C4'-P energy: -119.223 bonds (distance) P-C4' energy: -122.114 flat angles C4'-P-C4' energy: -114.445 flat angles P-C4'-P energy: -83.610 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -792.221919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.221919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.221919 (E_RNA) where: Base-Base interactions energy: -382.515 where: short stacking energy: -215.555 Base-Backbone interact. energy: 3.583 local terms energy: -413.289081 where: bonds (distance) C4'-P energy: -126.416 bonds (distance) P-C4' energy: -142.153 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: 1.833 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: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2854.041330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.041330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.041330 (E_RNA) where: Base-Base interactions energy: -1950.697 where: short stacking energy: -847.430 Base-Backbone interact. energy: -2.421 local terms energy: -900.923295 where: bonds (distance) C4'-P energy: -158.979 bonds (distance) P-C4' energy: -176.189 flat angles C4'-P-C4' energy: -203.697 flat angles P-C4'-P energy: -121.554 tors. eta vs tors. theta energy: -240.504 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: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2735.345818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.345818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.345818 (E_RNA) where: Base-Base interactions energy: -1870.776 where: short stacking energy: -803.950 Base-Backbone interact. energy: -3.434 local terms energy: -861.135992 where: bonds (distance) C4'-P energy: -162.148 bonds (distance) P-C4' energy: -164.195 flat angles C4'-P-C4' energy: -183.549 flat angles P-C4'-P energy: -116.493 tors. eta vs tors. theta energy: -234.750 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: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2591.624822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.624822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.624822 (E_RNA) where: Base-Base interactions energy: -1753.482 where: short stacking energy: -775.111 Base-Backbone interact. energy: -4.023 local terms energy: -834.120609 where: bonds (distance) C4'-P energy: -166.735 bonds (distance) P-C4' energy: -160.927 flat angles C4'-P-C4' energy: -186.800 flat angles P-C4'-P energy: -114.692 tors. eta vs tors. theta energy: -204.967 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: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2439.852710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.852710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.852710 (E_RNA) where: Base-Base interactions energy: -1679.572 where: short stacking energy: -690.248 Base-Backbone interact. energy: -0.088 local terms energy: -760.193146 where: bonds (distance) C4'-P energy: -151.901 bonds (distance) P-C4' energy: -165.322 flat angles C4'-P-C4' energy: -157.151 flat angles P-C4'-P energy: -98.497 tors. eta vs tors. theta energy: -187.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2282.257570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.257570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.257570 (E_RNA) where: Base-Base interactions energy: -1524.578 where: short stacking energy: -651.467 Base-Backbone interact. energy: -0.500 local terms energy: -757.180049 where: bonds (distance) C4'-P energy: -140.153 bonds (distance) P-C4' energy: -159.883 flat angles C4'-P-C4' energy: -164.128 flat angles P-C4'-P energy: -104.947 tors. eta vs tors. theta energy: -188.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2063.121930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.121930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.121930 (E_RNA) where: Base-Base interactions energy: -1387.092 where: short stacking energy: -589.741 Base-Backbone interact. energy: -3.148 local terms energy: -672.881981 where: bonds (distance) C4'-P energy: -156.555 bonds (distance) P-C4' energy: -135.266 flat angles C4'-P-C4' energy: -147.964 flat angles P-C4'-P energy: -88.107 tors. eta vs tors. theta energy: -144.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1751.266389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.266389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.266389 (E_RNA) where: Base-Base interactions energy: -1122.657 where: short stacking energy: -529.999 Base-Backbone interact. energy: -5.980 local terms energy: -622.629338 where: bonds (distance) C4'-P energy: -129.436 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -140.729 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: -117.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1404.704178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.704178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.704178 (E_RNA) where: Base-Base interactions energy: -849.384 where: short stacking energy: -405.144 Base-Backbone interact. energy: -1.254 local terms energy: -554.065970 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -122.658 flat angles C4'-P-C4' energy: -158.270 flat angles P-C4'-P energy: -85.834 tors. eta vs tors. theta energy: -76.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -883.632740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.632740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.632740 (E_RNA) where: Base-Base interactions energy: -435.277 where: short stacking energy: -238.555 Base-Backbone interact. energy: 1.027 local terms energy: -449.382572 where: bonds (distance) C4'-P energy: -111.046 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -104.320 flat angles P-C4'-P energy: -84.107 tors. eta vs tors. theta energy: 0.727 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: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -822.072740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.072740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.072740 (E_RNA) where: Base-Base interactions energy: -381.978 where: short stacking energy: -202.318 Base-Backbone interact. energy: 8.531 local terms energy: -448.625433 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -140.402 flat angles C4'-P-C4' energy: -120.897 flat angles P-C4'-P energy: -61.946 tors. eta vs tors. theta energy: 9.954 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: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2858.255591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.255591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.255591 (E_RNA) where: Base-Base interactions energy: -1949.582 where: short stacking energy: -844.303 Base-Backbone interact. energy: -2.272 local terms energy: -906.401631 where: bonds (distance) C4'-P energy: -178.195 bonds (distance) P-C4' energy: -160.167 flat angles C4'-P-C4' energy: -198.625 flat angles P-C4'-P energy: -115.278 tors. eta vs tors. theta energy: -254.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2728.041400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.041400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.041400 (E_RNA) where: Base-Base interactions energy: -1840.530 where: short stacking energy: -789.420 Base-Backbone interact. energy: -4.776 local terms energy: -882.735437 where: bonds (distance) C4'-P energy: -156.274 bonds (distance) P-C4' energy: -164.842 flat angles C4'-P-C4' energy: -191.697 flat angles P-C4'-P energy: -130.470 tors. eta vs tors. theta energy: -239.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2543.077178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.077178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.077178 (E_RNA) where: Base-Base interactions energy: -1735.003 where: short stacking energy: -734.029 Base-Backbone interact. energy: -4.849 local terms energy: -803.225401 where: bonds (distance) C4'-P energy: -149.319 bonds (distance) P-C4' energy: -156.921 flat angles C4'-P-C4' energy: -178.324 flat angles P-C4'-P energy: -111.399 tors. eta vs tors. theta energy: -207.261 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: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2482.027250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.027250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.027250 (E_RNA) where: Base-Base interactions energy: -1677.968 where: short stacking energy: -701.805 Base-Backbone interact. energy: -0.600 local terms energy: -803.459334 where: bonds (distance) C4'-P energy: -153.545 bonds (distance) P-C4' energy: -165.137 flat angles C4'-P-C4' energy: -178.240 flat angles P-C4'-P energy: -100.215 tors. eta vs tors. theta energy: -206.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2279.157855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.157855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.157855 (E_RNA) where: Base-Base interactions energy: -1534.214 where: short stacking energy: -679.960 Base-Backbone interact. energy: -5.068 local terms energy: -739.875700 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -154.159 flat angles C4'-P-C4' energy: -161.556 flat angles P-C4'-P energy: -94.675 tors. eta vs tors. theta energy: -184.075 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: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2146.951615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.951615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.951615 (E_RNA) where: Base-Base interactions energy: -1427.997 where: short stacking energy: -610.021 Base-Backbone interact. energy: -0.917 local terms energy: -718.037419 where: bonds (distance) C4'-P energy: -129.164 bonds (distance) P-C4' energy: -151.040 flat angles C4'-P-C4' energy: -160.633 flat angles P-C4'-P energy: -101.572 tors. eta vs tors. theta energy: -175.629 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: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1701.786762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.786762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.786762 (E_RNA) where: Base-Base interactions energy: -1077.541 where: short stacking energy: -499.505 Base-Backbone interact. energy: 0.294 local terms energy: -624.539037 where: bonds (distance) C4'-P energy: -144.765 bonds (distance) P-C4' energy: -138.576 flat angles C4'-P-C4' energy: -144.026 flat angles P-C4'-P energy: -94.847 tors. eta vs tors. theta energy: -102.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1387.453915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.453915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.453915 (E_RNA) where: Base-Base interactions energy: -852.078 where: short stacking energy: -425.511 Base-Backbone interact. energy: 5.932 local terms energy: -541.308583 where: bonds (distance) C4'-P energy: -122.573 bonds (distance) P-C4' energy: -127.359 flat angles C4'-P-C4' energy: -135.477 flat angles P-C4'-P energy: -88.761 tors. eta vs tors. theta energy: -67.139 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: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -917.554836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.554836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.554836 (E_RNA) where: Base-Base interactions energy: -459.516 where: short stacking energy: -238.682 Base-Backbone interact. energy: -1.308 local terms energy: -456.730134 where: bonds (distance) C4'-P energy: -132.280 bonds (distance) P-C4' energy: -138.702 flat angles C4'-P-C4' energy: -130.858 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: 4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -809.886790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.886790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.886790 (E_RNA) where: Base-Base interactions energy: -354.611 where: short stacking energy: -210.975 Base-Backbone interact. energy: -1.384 local terms energy: -453.892302 where: bonds (distance) C4'-P energy: -127.601 bonds (distance) P-C4' energy: -140.086 flat angles C4'-P-C4' energy: -129.861 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: 4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2849.050472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.050472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.050472 (E_RNA) where: Base-Base interactions energy: -1955.935 where: short stacking energy: -844.013 Base-Backbone interact. energy: -4.503 local terms energy: -888.611713 where: bonds (distance) C4'-P energy: -172.317 bonds (distance) P-C4' energy: -165.099 flat angles C4'-P-C4' energy: -185.744 flat angles P-C4'-P energy: -134.064 tors. eta vs tors. theta energy: -231.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2712.219457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.219457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.219457 (E_RNA) where: Base-Base interactions energy: -1857.290 where: short stacking energy: -797.747 Base-Backbone interact. energy: -5.043 local terms energy: -849.886457 where: bonds (distance) C4'-P energy: -135.894 bonds (distance) P-C4' energy: -172.869 flat angles C4'-P-C4' energy: -185.258 flat angles P-C4'-P energy: -125.091 tors. eta vs tors. theta energy: -230.775 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: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2559.186119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.186119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.186119 (E_RNA) where: Base-Base interactions energy: -1737.952 where: short stacking energy: -745.392 Base-Backbone interact. energy: -5.852 local terms energy: -815.382243 where: bonds (distance) C4'-P energy: -158.642 bonds (distance) P-C4' energy: -142.799 flat angles C4'-P-C4' energy: -177.880 flat angles P-C4'-P energy: -112.478 tors. eta vs tors. theta energy: -223.583 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: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2478.816336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.816336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.816336 (E_RNA) where: Base-Base interactions energy: -1733.523 where: short stacking energy: -739.290 Base-Backbone interact. energy: -2.024 local terms energy: -743.269282 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -144.759 flat angles C4'-P-C4' energy: -161.704 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -201.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2268.180794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.180794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.180794 (E_RNA) where: Base-Base interactions energy: -1555.595 where: short stacking energy: -637.040 Base-Backbone interact. energy: 2.671 local terms energy: -715.257117 where: bonds (distance) C4'-P energy: -146.173 bonds (distance) P-C4' energy: -149.741 flat angles C4'-P-C4' energy: -165.049 flat angles P-C4'-P energy: -89.827 tors. eta vs tors. theta energy: -164.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2094.794922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.794922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.794922 (E_RNA) where: Base-Base interactions energy: -1401.496 where: short stacking energy: -581.479 Base-Backbone interact. energy: -0.734 local terms energy: -692.564709 where: bonds (distance) C4'-P energy: -150.468 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -157.133 flat angles P-C4'-P energy: -84.071 tors. eta vs tors. theta energy: -148.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1717.177607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.177607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.177607 (E_RNA) where: Base-Base interactions energy: -1055.220 where: short stacking energy: -501.223 Base-Backbone interact. energy: -2.236 local terms energy: -659.721081 where: bonds (distance) C4'-P energy: -143.353 bonds (distance) P-C4' energy: -156.964 flat angles C4'-P-C4' energy: -170.300 flat angles P-C4'-P energy: -93.142 tors. eta vs tors. theta energy: -95.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1417.213438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.213438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.213438 (E_RNA) where: Base-Base interactions energy: -863.100 where: short stacking energy: -410.669 Base-Backbone interact. energy: 0.857 local terms energy: -554.970429 where: bonds (distance) C4'-P energy: -129.492 bonds (distance) P-C4' energy: -138.524 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -70.523 tors. eta vs tors. theta energy: -74.258 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: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -996.404869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.404869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.404869 (E_RNA) where: Base-Base interactions energy: -508.106 where: short stacking energy: -294.720 Base-Backbone interact. energy: -1.418 local terms energy: -486.881114 where: bonds (distance) C4'-P energy: -109.462 bonds (distance) P-C4' energy: -141.703 flat angles C4'-P-C4' energy: -113.041 flat angles P-C4'-P energy: -100.761 tors. eta vs tors. theta energy: -21.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -752.064577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.064577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.064577 (E_RNA) where: Base-Base interactions energy: -320.774 where: short stacking energy: -196.408 Base-Backbone interact. energy: 0.464 local terms energy: -431.755034 where: bonds (distance) C4'-P energy: -139.098 bonds (distance) P-C4' energy: -128.760 flat angles C4'-P-C4' energy: -126.165 flat angles P-C4'-P energy: -61.310 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: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2861.004969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.004969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.004969 (E_RNA) where: Base-Base interactions energy: -1946.098 where: short stacking energy: -861.832 Base-Backbone interact. energy: -1.821 local terms energy: -913.085481 where: bonds (distance) C4'-P energy: -162.845 bonds (distance) P-C4' energy: -181.821 flat angles C4'-P-C4' energy: -201.398 flat angles P-C4'-P energy: -125.603 tors. eta vs tors. theta energy: -241.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2786.034001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.034001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.034001 (E_RNA) where: Base-Base interactions energy: -1914.239 where: short stacking energy: -776.432 Base-Backbone interact. energy: -2.850 local terms energy: -868.945213 where: bonds (distance) C4'-P energy: -163.127 bonds (distance) P-C4' energy: -172.497 flat angles C4'-P-C4' energy: -179.527 flat angles P-C4'-P energy: -121.323 tors. eta vs tors. theta energy: -232.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2611.429988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.429988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.429988 (E_RNA) where: Base-Base interactions energy: -1787.763 where: short stacking energy: -750.293 Base-Backbone interact. energy: -6.613 local terms energy: -817.054433 where: bonds (distance) C4'-P energy: -148.490 bonds (distance) P-C4' energy: -157.923 flat angles C4'-P-C4' energy: -173.352 flat angles P-C4'-P energy: -114.062 tors. eta vs tors. theta energy: -223.228 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: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2489.762939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.762939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.762939 (E_RNA) where: Base-Base interactions energy: -1711.228 where: short stacking energy: -707.305 Base-Backbone interact. energy: -5.691 local terms energy: -772.843723 where: bonds (distance) C4'-P energy: -153.783 bonds (distance) P-C4' energy: -151.362 flat angles C4'-P-C4' energy: -160.141 flat angles P-C4'-P energy: -105.606 tors. eta vs tors. theta energy: -201.951 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: 204 Temperature: 1.100000 Total energy: -2197.433194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.433194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.433194 (E_RNA) where: Base-Base interactions energy: -1501.933 where: short stacking energy: -614.316 Base-Backbone interact. energy: -5.175 local terms energy: -690.325884 where: bonds (distance) C4'-P energy: -131.092 bonds (distance) P-C4' energy: -136.126 flat angles C4'-P-C4' energy: -157.909 flat angles P-C4'-P energy: -106.952 tors. eta vs tors. theta energy: -158.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2133.765603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.765603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.765603 (E_RNA) where: Base-Base interactions energy: -1430.204 where: short stacking energy: -614.988 Base-Backbone interact. energy: -2.934 local terms energy: -700.628068 where: bonds (distance) C4'-P energy: -148.798 bonds (distance) P-C4' energy: -120.581 flat angles C4'-P-C4' energy: -162.811 flat angles P-C4'-P energy: -102.240 tors. eta vs tors. theta energy: -166.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1693.861702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.861702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.861702 (E_RNA) where: Base-Base interactions energy: -1068.291 where: short stacking energy: -514.475 Base-Backbone interact. energy: 0.046 local terms energy: -625.615906 where: bonds (distance) C4'-P energy: -141.937 bonds (distance) P-C4' energy: -138.075 flat angles C4'-P-C4' energy: -141.735 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -122.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1471.643098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.643098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.643098 (E_RNA) where: Base-Base interactions energy: -878.136 where: short stacking energy: -404.536 Base-Backbone interact. energy: -0.176 local terms energy: -593.330581 where: bonds (distance) C4'-P energy: -128.449 bonds (distance) P-C4' energy: -139.318 flat angles C4'-P-C4' energy: -145.683 flat angles P-C4'-P energy: -98.242 tors. eta vs tors. theta energy: -81.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1047.260449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.260449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.260449 (E_RNA) where: Base-Base interactions energy: -532.599 where: short stacking energy: -269.042 Base-Backbone interact. energy: -5.348 local terms energy: -509.313619 where: bonds (distance) C4'-P energy: -132.319 bonds (distance) P-C4' energy: -144.682 flat angles C4'-P-C4' energy: -138.448 flat angles P-C4'-P energy: -66.358 tors. eta vs tors. theta energy: -27.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -716.340333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.340333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.340333 (E_RNA) where: Base-Base interactions energy: -289.108 where: short stacking energy: -176.561 Base-Backbone interact. energy: -0.735 local terms energy: -426.497624 where: bonds (distance) C4'-P energy: -129.996 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -123.182 flat angles P-C4'-P energy: -40.232 tors. eta vs tors. theta energy: 10.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2858.706993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.706993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.706993 (E_RNA) where: Base-Base interactions energy: -1941.922 where: short stacking energy: -849.612 Base-Backbone interact. energy: -2.920 local terms energy: -913.865432 where: bonds (distance) C4'-P energy: -160.882 bonds (distance) P-C4' energy: -178.385 flat angles C4'-P-C4' energy: -189.930 flat angles P-C4'-P energy: -142.250 tors. eta vs tors. theta energy: -242.418 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: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2766.989887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.989887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.989887 (E_RNA) where: Base-Base interactions energy: -1929.513 where: short stacking energy: -795.494 Base-Backbone interact. energy: -6.194 local terms energy: -831.283657 where: bonds (distance) C4'-P energy: -143.610 bonds (distance) P-C4' energy: -152.782 flat angles C4'-P-C4' energy: -186.910 flat angles P-C4'-P energy: -114.008 tors. eta vs tors. theta energy: -233.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2547.571798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.571798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.571798 (E_RNA) where: Base-Base interactions energy: -1721.597 where: short stacking energy: -746.287 Base-Backbone interact. energy: -0.855 local terms energy: -825.119642 where: bonds (distance) C4'-P energy: -154.545 bonds (distance) P-C4' energy: -166.729 flat angles C4'-P-C4' energy: -180.264 flat angles P-C4'-P energy: -108.086 tors. eta vs tors. theta energy: -215.496 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: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2465.728554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.728554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.728554 (E_RNA) where: Base-Base interactions energy: -1693.088 where: short stacking energy: -743.112 Base-Backbone interact. energy: -3.704 local terms energy: -768.936217 where: bonds (distance) C4'-P energy: -149.654 bonds (distance) P-C4' energy: -131.353 flat angles C4'-P-C4' energy: -170.141 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -209.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2263.295272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.295272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.295272 (E_RNA) where: Base-Base interactions energy: -1515.507 where: short stacking energy: -641.705 Base-Backbone interact. energy: 1.805 local terms energy: -749.593087 where: bonds (distance) C4'-P energy: -131.043 bonds (distance) P-C4' energy: -150.602 flat angles C4'-P-C4' energy: -161.387 flat angles P-C4'-P energy: -123.775 tors. eta vs tors. theta energy: -182.788 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: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2095.275199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.275199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.275199 (E_RNA) where: Base-Base interactions energy: -1412.309 where: short stacking energy: -590.421 Base-Backbone interact. energy: -1.573 local terms energy: -681.393622 where: bonds (distance) C4'-P energy: -138.960 bonds (distance) P-C4' energy: -136.166 flat angles C4'-P-C4' energy: -155.369 flat angles P-C4'-P energy: -88.838 tors. eta vs tors. theta energy: -162.061 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: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1650.234462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.234462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.234462 (E_RNA) where: Base-Base interactions energy: -1044.212 where: short stacking energy: -489.297 Base-Backbone interact. energy: -3.559 local terms energy: -602.463420 where: bonds (distance) C4'-P energy: -128.031 bonds (distance) P-C4' energy: -134.680 flat angles C4'-P-C4' energy: -122.939 flat angles P-C4'-P energy: -105.180 tors. eta vs tors. theta energy: -111.633 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: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1493.560584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.560584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.560584 (E_RNA) where: Base-Base interactions energy: -921.121 where: short stacking energy: -453.544 Base-Backbone interact. energy: 0.902 local terms energy: -573.341010 where: bonds (distance) C4'-P energy: -128.624 bonds (distance) P-C4' energy: -139.741 flat angles C4'-P-C4' energy: -144.028 flat angles P-C4'-P energy: -74.522 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: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -962.435575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.435575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.435575 (E_RNA) where: Base-Base interactions energy: -494.932 where: short stacking energy: -293.253 Base-Backbone interact. energy: -1.243 local terms energy: -466.260599 where: bonds (distance) C4'-P energy: -122.529 bonds (distance) P-C4' energy: -135.465 flat angles C4'-P-C4' energy: -130.267 flat angles P-C4'-P energy: -58.335 tors. eta vs tors. theta energy: -19.665 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: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -698.865537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.865537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.865537 (E_RNA) where: Base-Base interactions energy: -291.196 where: short stacking energy: -189.425 Base-Backbone interact. energy: -1.984 local terms energy: -405.686112 where: bonds (distance) C4'-P energy: -138.797 bonds (distance) P-C4' energy: -139.637 flat angles C4'-P-C4' energy: -102.279 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: 30.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2857.339519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.339519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.339519 (E_RNA) where: Base-Base interactions energy: -1967.535 where: short stacking energy: -861.663 Base-Backbone interact. energy: -4.631 local terms energy: -885.174418 where: bonds (distance) C4'-P energy: -163.714 bonds (distance) P-C4' energy: -160.532 flat angles C4'-P-C4' energy: -183.388 flat angles P-C4'-P energy: -124.631 tors. eta vs tors. theta energy: -252.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2785.011095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.011095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.011095 (E_RNA) where: Base-Base interactions energy: -1923.077 where: short stacking energy: -805.171 Base-Backbone interact. energy: -1.115 local terms energy: -860.818975 where: bonds (distance) C4'-P energy: -161.893 bonds (distance) P-C4' energy: -164.578 flat angles C4'-P-C4' energy: -182.636 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -240.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2565.085563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.085563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.085563 (E_RNA) where: Base-Base interactions energy: -1767.691 where: short stacking energy: -748.854 Base-Backbone interact. energy: -4.089 local terms energy: -793.305548 where: bonds (distance) C4'-P energy: -142.228 bonds (distance) P-C4' energy: -152.245 flat angles C4'-P-C4' energy: -166.990 flat angles P-C4'-P energy: -107.225 tors. eta vs tors. theta energy: -224.618 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: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2443.762189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.762189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.762189 (E_RNA) where: Base-Base interactions energy: -1656.046 where: short stacking energy: -731.779 Base-Backbone interact. energy: -2.579 local terms energy: -785.137286 where: bonds (distance) C4'-P energy: -159.436 bonds (distance) P-C4' energy: -159.496 flat angles C4'-P-C4' energy: -163.771 flat angles P-C4'-P energy: -96.636 tors. eta vs tors. theta energy: -205.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2279.482966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.482966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.482966 (E_RNA) where: Base-Base interactions energy: -1552.105 where: short stacking energy: -642.263 Base-Backbone interact. energy: 3.257 local terms energy: -730.634858 where: bonds (distance) C4'-P energy: -137.961 bonds (distance) P-C4' energy: -162.241 flat angles C4'-P-C4' energy: -162.002 flat angles P-C4'-P energy: -109.869 tors. eta vs tors. theta energy: -158.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2026.485054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.485054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.485054 (E_RNA) where: Base-Base interactions energy: -1373.307 where: short stacking energy: -583.433 Base-Backbone interact. energy: -2.920 local terms energy: -650.258089 where: bonds (distance) C4'-P energy: -122.915 bonds (distance) P-C4' energy: -137.204 flat angles C4'-P-C4' energy: -164.356 flat angles P-C4'-P energy: -86.138 tors. eta vs tors. theta energy: -139.645 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: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1632.319251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.319251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.319251 (E_RNA) where: Base-Base interactions energy: -1023.740 where: short stacking energy: -489.949 Base-Backbone interact. energy: -2.337 local terms energy: -606.242932 where: bonds (distance) C4'-P energy: -133.027 bonds (distance) P-C4' energy: -152.270 flat angles C4'-P-C4' energy: -140.914 flat angles P-C4'-P energy: -86.966 tors. eta vs tors. theta energy: -93.066 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: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1491.468536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.468536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.468536 (E_RNA) where: Base-Base interactions energy: -916.312 where: short stacking energy: -393.461 Base-Backbone interact. energy: -4.642 local terms energy: -570.515000 where: bonds (distance) C4'-P energy: -156.414 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -149.514 flat angles P-C4'-P energy: -75.060 tors. eta vs tors. theta energy: -51.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -951.521756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.521756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.521756 (E_RNA) where: Base-Base interactions energy: -490.956 where: short stacking energy: -252.732 Base-Backbone interact. energy: 0.890 local terms energy: -461.455055 where: bonds (distance) C4'-P energy: -138.339 bonds (distance) P-C4' energy: -135.382 flat angles C4'-P-C4' energy: -116.703 flat angles P-C4'-P energy: -84.470 tors. eta vs tors. theta energy: 13.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -670.547383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.547383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.547383 (E_RNA) where: Base-Base interactions energy: -233.670 where: short stacking energy: -148.336 Base-Backbone interact. energy: 3.608 local terms energy: -440.485392 where: bonds (distance) C4'-P energy: -138.102 bonds (distance) P-C4' energy: -160.055 flat angles C4'-P-C4' energy: -116.764 flat angles P-C4'-P energy: -63.853 tors. eta vs tors. theta energy: 38.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2849.809634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.809634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.809634 (E_RNA) where: Base-Base interactions energy: -1943.071 where: short stacking energy: -851.024 Base-Backbone interact. energy: -3.635 local terms energy: -903.103715 where: bonds (distance) C4'-P energy: -168.781 bonds (distance) P-C4' energy: -178.818 flat angles C4'-P-C4' energy: -188.323 flat angles P-C4'-P energy: -118.299 tors. eta vs tors. theta energy: -248.882 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: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2751.073750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.073750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.073750 (E_RNA) where: Base-Base interactions energy: -1900.983 where: short stacking energy: -773.629 Base-Backbone interact. energy: -2.174 local terms energy: -847.916921 where: bonds (distance) C4'-P energy: -155.178 bonds (distance) P-C4' energy: -166.017 flat angles C4'-P-C4' energy: -183.207 flat angles P-C4'-P energy: -121.013 tors. eta vs tors. theta energy: -222.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2585.975589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.975589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.975589 (E_RNA) where: Base-Base interactions energy: -1765.104 where: short stacking energy: -746.505 Base-Backbone interact. energy: -8.073 local terms energy: -812.797731 where: bonds (distance) C4'-P energy: -154.242 bonds (distance) P-C4' energy: -161.152 flat angles C4'-P-C4' energy: -170.385 flat angles P-C4'-P energy: -100.488 tors. eta vs tors. theta energy: -226.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2467.649560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.649560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.649560 (E_RNA) where: Base-Base interactions energy: -1684.705 where: short stacking energy: -746.419 Base-Backbone interact. energy: 2.284 local terms energy: -785.229212 where: bonds (distance) C4'-P energy: -143.357 bonds (distance) P-C4' energy: -182.950 flat angles C4'-P-C4' energy: -164.368 flat angles P-C4'-P energy: -102.077 tors. eta vs tors. theta energy: -192.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2189.305502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.305502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.305502 (E_RNA) where: Base-Base interactions energy: -1476.464 where: short stacking energy: -619.607 Base-Backbone interact. energy: -2.251 local terms energy: -710.590553 where: bonds (distance) C4'-P energy: -148.406 bonds (distance) P-C4' energy: -140.772 flat angles C4'-P-C4' energy: -153.936 flat angles P-C4'-P energy: -105.507 tors. eta vs tors. theta energy: -161.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2122.768121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.768121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.768121 (E_RNA) where: Base-Base interactions energy: -1400.941 where: short stacking energy: -569.143 Base-Backbone interact. energy: -3.443 local terms energy: -718.384111 where: bonds (distance) C4'-P energy: -143.711 bonds (distance) P-C4' energy: -155.667 flat angles C4'-P-C4' energy: -167.748 flat angles P-C4'-P energy: -92.099 tors. eta vs tors. theta energy: -159.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1614.218915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.218915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.218915 (E_RNA) where: Base-Base interactions energy: -1028.509 where: short stacking energy: -479.433 Base-Backbone interact. energy: 1.063 local terms energy: -586.773114 where: bonds (distance) C4'-P energy: -118.890 bonds (distance) P-C4' energy: -144.051 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -101.264 tors. eta vs tors. theta energy: -100.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1544.341251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.341251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.341251 (E_RNA) where: Base-Base interactions energy: -957.343 where: short stacking energy: -422.702 Base-Backbone interact. energy: -3.368 local terms energy: -583.630187 where: bonds (distance) C4'-P energy: -136.309 bonds (distance) P-C4' energy: -156.715 flat angles C4'-P-C4' energy: -124.405 flat angles P-C4'-P energy: -83.870 tors. eta vs tors. theta energy: -82.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1017.187768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.187768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.187768 (E_RNA) where: Base-Base interactions energy: -528.977 where: short stacking energy: -241.934 Base-Backbone interact. energy: -5.144 local terms energy: -483.066311 where: bonds (distance) C4'-P energy: -135.378 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -116.485 flat angles P-C4'-P energy: -73.027 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -779.588391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.588391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.588391 (E_RNA) where: Base-Base interactions energy: -374.443 where: short stacking energy: -196.236 Base-Backbone interact. energy: -1.966 local terms energy: -403.179500 where: bonds (distance) C4'-P energy: -136.487 bonds (distance) P-C4' energy: -134.335 flat angles C4'-P-C4' energy: -112.705 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: 36.392 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: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2865.914874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.914874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.914874 (E_RNA) where: Base-Base interactions energy: -1975.801 where: short stacking energy: -852.399 Base-Backbone interact. energy: -3.455 local terms energy: -886.658785 where: bonds (distance) C4'-P energy: -155.988 bonds (distance) P-C4' energy: -179.649 flat angles C4'-P-C4' energy: -177.148 flat angles P-C4'-P energy: -122.375 tors. eta vs tors. theta energy: -251.499 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: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2805.518873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.518873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.518873 (E_RNA) where: Base-Base interactions energy: -1932.369 where: short stacking energy: -798.272 Base-Backbone interact. energy: -2.194 local terms energy: -870.956249 where: bonds (distance) C4'-P energy: -158.526 bonds (distance) P-C4' energy: -162.398 flat angles C4'-P-C4' energy: -193.360 flat angles P-C4'-P energy: -125.888 tors. eta vs tors. theta energy: -230.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2592.900238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.900238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.900238 (E_RNA) where: Base-Base interactions energy: -1743.819 where: short stacking energy: -740.670 Base-Backbone interact. energy: -2.339 local terms energy: -846.741938 where: bonds (distance) C4'-P energy: -173.139 bonds (distance) P-C4' energy: -157.540 flat angles C4'-P-C4' energy: -181.711 flat angles P-C4'-P energy: -111.632 tors. eta vs tors. theta energy: -222.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2479.059703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.059703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.059703 (E_RNA) where: Base-Base interactions energy: -1713.395 where: short stacking energy: -712.961 Base-Backbone interact. energy: -1.791 local terms energy: -763.874408 where: bonds (distance) C4'-P energy: -163.626 bonds (distance) P-C4' energy: -144.903 flat angles C4'-P-C4' energy: -157.748 flat angles P-C4'-P energy: -104.428 tors. eta vs tors. theta energy: -193.169 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: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2149.754865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.754865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.754865 (E_RNA) where: Base-Base interactions energy: -1423.144 where: short stacking energy: -606.462 Base-Backbone interact. energy: -1.145 local terms energy: -725.465214 where: bonds (distance) C4'-P energy: -137.274 bonds (distance) P-C4' energy: -167.007 flat angles C4'-P-C4' energy: -164.517 flat angles P-C4'-P energy: -101.292 tors. eta vs tors. theta energy: -155.376 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: 6, replica: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2054.208754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.208754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.208754 (E_RNA) where: Base-Base interactions energy: -1371.022 where: short stacking energy: -562.277 Base-Backbone interact. energy: -3.852 local terms energy: -679.334460 where: bonds (distance) C4'-P energy: -147.707 bonds (distance) P-C4' energy: -129.339 flat angles C4'-P-C4' energy: -160.933 flat angles P-C4'-P energy: -104.280 tors. eta vs tors. theta energy: -137.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1596.056851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.056851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.056851 (E_RNA) where: Base-Base interactions energy: -1008.953 where: short stacking energy: -490.603 Base-Backbone interact. energy: -2.795 local terms energy: -584.308576 where: bonds (distance) C4'-P energy: -139.030 bonds (distance) P-C4' energy: -135.821 flat angles C4'-P-C4' energy: -141.902 flat angles P-C4'-P energy: -73.959 tors. eta vs tors. theta energy: -93.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1490.883340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.883340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.883340 (E_RNA) where: Base-Base interactions energy: -930.986 where: short stacking energy: -423.634 Base-Backbone interact. energy: 1.584 local terms energy: -561.480718 where: bonds (distance) C4'-P energy: -125.423 bonds (distance) P-C4' energy: -152.893 flat angles C4'-P-C4' energy: -116.935 flat angles P-C4'-P energy: -95.191 tors. eta vs tors. theta energy: -71.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -932.628181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.628181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.628181 (E_RNA) where: Base-Base interactions energy: -452.842 where: short stacking energy: -226.898 Base-Backbone interact. energy: -1.767 local terms energy: -478.018936 where: bonds (distance) C4'-P energy: -131.169 bonds (distance) P-C4' energy: -148.581 flat angles C4'-P-C4' energy: -118.690 flat angles P-C4'-P energy: -76.728 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -851.027271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.027271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.027271 (E_RNA) where: Base-Base interactions energy: -421.867 where: short stacking energy: -247.365 Base-Backbone interact. energy: -1.654 local terms energy: -427.506094 where: bonds (distance) C4'-P energy: -109.302 bonds (distance) P-C4' energy: -120.391 flat angles C4'-P-C4' energy: -115.628 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -6.186 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: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2877.960433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.960433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.960433 (E_RNA) where: Base-Base interactions energy: -2023.109 where: short stacking energy: -862.679 Base-Backbone interact. energy: -3.998 local terms energy: -850.853631 where: bonds (distance) C4'-P energy: -167.485 bonds (distance) P-C4' energy: -150.976 flat angles C4'-P-C4' energy: -169.195 flat angles P-C4'-P energy: -108.522 tors. eta vs tors. theta energy: -254.675 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: 6 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2808.425929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.425929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.425929 (E_RNA) where: Base-Base interactions energy: -1967.315 where: short stacking energy: -812.860 Base-Backbone interact. energy: -2.245 local terms energy: -838.865143 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -165.459 flat angles C4'-P-C4' energy: -190.076 flat angles P-C4'-P energy: -109.618 tors. eta vs tors. theta energy: -235.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2639.055598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.055598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.055598 (E_RNA) where: Base-Base interactions energy: -1800.333 where: short stacking energy: -776.020 Base-Backbone interact. energy: -7.516 local terms energy: -831.206536 where: bonds (distance) C4'-P energy: -149.887 bonds (distance) P-C4' energy: -157.963 flat angles C4'-P-C4' energy: -172.360 flat angles P-C4'-P energy: -123.870 tors. eta vs tors. theta energy: -227.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2451.680380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.680380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.680380 (E_RNA) where: Base-Base interactions energy: -1658.477 where: short stacking energy: -720.709 Base-Backbone interact. energy: 1.271 local terms energy: -794.474347 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -148.907 flat angles C4'-P-C4' energy: -178.282 flat angles P-C4'-P energy: -110.075 tors. eta vs tors. theta energy: -209.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2231.296176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.296176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.296176 (E_RNA) where: Base-Base interactions energy: -1507.896 where: short stacking energy: -651.556 Base-Backbone interact. energy: 1.892 local terms energy: -725.291701 where: bonds (distance) C4'-P energy: -133.815 bonds (distance) P-C4' energy: -145.493 flat angles C4'-P-C4' energy: -163.220 flat angles P-C4'-P energy: -113.333 tors. eta vs tors. theta energy: -169.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2033.270227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.270227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.270227 (E_RNA) where: Base-Base interactions energy: -1375.795 where: short stacking energy: -560.474 Base-Backbone interact. energy: -0.640 local terms energy: -656.834784 where: bonds (distance) C4'-P energy: -131.605 bonds (distance) P-C4' energy: -133.568 flat angles C4'-P-C4' energy: -151.845 flat angles P-C4'-P energy: -92.314 tors. eta vs tors. theta energy: -147.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1613.558208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.558208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.558208 (E_RNA) where: Base-Base interactions energy: -1030.197 where: short stacking energy: -462.523 Base-Backbone interact. energy: 3.129 local terms energy: -586.489696 where: bonds (distance) C4'-P energy: -127.455 bonds (distance) P-C4' energy: -133.664 flat angles C4'-P-C4' energy: -147.652 flat angles P-C4'-P energy: -92.571 tors. eta vs tors. theta energy: -85.148 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: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1520.442945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.442945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.442945 (E_RNA) where: Base-Base interactions energy: -925.101 where: short stacking energy: -436.781 Base-Backbone interact. energy: -3.096 local terms energy: -592.245851 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -146.630 flat angles C4'-P-C4' energy: -143.179 flat angles P-C4'-P energy: -81.618 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: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1090.751144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.751144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.751144 (E_RNA) where: Base-Base interactions energy: -647.658 where: short stacking energy: -308.553 Base-Backbone interact. energy: 4.477 local terms energy: -447.570299 where: bonds (distance) C4'-P energy: -131.682 bonds (distance) P-C4' energy: -120.531 flat angles C4'-P-C4' energy: -107.594 flat angles P-C4'-P energy: -56.731 tors. eta vs tors. theta energy: -31.032 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: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -802.778292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.778292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.778292 (E_RNA) where: Base-Base interactions energy: -400.668 where: short stacking energy: -216.741 Base-Backbone interact. energy: -1.504 local terms energy: -400.606359 where: bonds (distance) C4'-P energy: -131.881 bonds (distance) P-C4' energy: -142.278 flat angles C4'-P-C4' energy: -85.877 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: 19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2900.287512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.287512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.287512 (E_RNA) where: Base-Base interactions energy: -1991.798 where: short stacking energy: -884.411 Base-Backbone interact. energy: -4.300 local terms energy: -904.190302 where: bonds (distance) C4'-P energy: -163.889 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -195.733 flat angles P-C4'-P energy: -117.504 tors. eta vs tors. theta energy: -262.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2781.729272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.729272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.729272 (E_RNA) where: Base-Base interactions energy: -1903.321 where: short stacking energy: -748.133 Base-Backbone interact. energy: -3.896 local terms energy: -874.512370 where: bonds (distance) C4'-P energy: -168.241 bonds (distance) P-C4' energy: -167.086 flat angles C4'-P-C4' energy: -187.937 flat angles P-C4'-P energy: -134.507 tors. eta vs tors. theta energy: -216.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2590.904453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.904453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.904453 (E_RNA) where: Base-Base interactions energy: -1779.398 where: short stacking energy: -749.587 Base-Backbone interact. energy: -7.684 local terms energy: -803.822467 where: bonds (distance) C4'-P energy: -143.851 bonds (distance) P-C4' energy: -149.722 flat angles C4'-P-C4' energy: -172.959 flat angles P-C4'-P energy: -112.626 tors. eta vs tors. theta energy: -224.665 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: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2421.784843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.784843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.784843 (E_RNA) where: Base-Base interactions energy: -1650.532 where: short stacking energy: -707.326 Base-Backbone interact. energy: -0.039 local terms energy: -771.213712 where: bonds (distance) C4'-P energy: -124.659 bonds (distance) P-C4' energy: -150.202 flat angles C4'-P-C4' energy: -178.573 flat angles P-C4'-P energy: -117.356 tors. eta vs tors. theta energy: -200.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2257.621466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.621466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.621466 (E_RNA) where: Base-Base interactions energy: -1537.265 where: short stacking energy: -626.482 Base-Backbone interact. energy: 4.339 local terms energy: -724.695259 where: bonds (distance) C4'-P energy: -159.775 bonds (distance) P-C4' energy: -148.541 flat angles C4'-P-C4' energy: -171.069 flat angles P-C4'-P energy: -90.343 tors. eta vs tors. theta energy: -154.968 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: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2030.468749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.468749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.468749 (E_RNA) where: Base-Base interactions energy: -1350.470 where: short stacking energy: -577.807 Base-Backbone interact. energy: -0.117 local terms energy: -679.881368 where: bonds (distance) C4'-P energy: -152.890 bonds (distance) P-C4' energy: -131.962 flat angles C4'-P-C4' energy: -154.242 flat angles P-C4'-P energy: -94.946 tors. eta vs tors. theta energy: -145.842 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: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1672.932883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.932883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.932883 (E_RNA) where: Base-Base interactions energy: -1063.259 where: short stacking energy: -522.881 Base-Backbone interact. energy: -0.059 local terms energy: -609.614682 where: bonds (distance) C4'-P energy: -120.233 bonds (distance) P-C4' energy: -140.273 flat angles C4'-P-C4' energy: -166.759 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -105.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1510.996087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.996087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.996087 (E_RNA) where: Base-Base interactions energy: -933.424 where: short stacking energy: -430.662 Base-Backbone interact. energy: -3.002 local terms energy: -574.569638 where: bonds (distance) C4'-P energy: -133.810 bonds (distance) P-C4' energy: -151.447 flat angles C4'-P-C4' energy: -141.584 flat angles P-C4'-P energy: -79.061 tors. eta vs tors. theta energy: -68.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1189.177830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.177830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.177830 (E_RNA) where: Base-Base interactions energy: -677.748 where: short stacking energy: -315.347 Base-Backbone interact. energy: 0.487 local terms energy: -511.917071 where: bonds (distance) C4'-P energy: -111.838 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -132.011 flat angles P-C4'-P energy: -77.286 tors. eta vs tors. theta energy: -31.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -726.121178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.121178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.121178 (E_RNA) where: Base-Base interactions energy: -313.309 where: short stacking energy: -210.988 Base-Backbone interact. energy: 2.105 local terms energy: -414.916809 where: bonds (distance) C4'-P energy: -124.080 bonds (distance) P-C4' energy: -136.498 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -58.490 tors. eta vs tors. theta energy: 19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2884.346800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.346800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.346800 (E_RNA) where: Base-Base interactions energy: -1981.958 where: short stacking energy: -862.428 Base-Backbone interact. energy: -6.765 local terms energy: -895.623901 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -170.600 flat angles C4'-P-C4' energy: -190.058 flat angles P-C4'-P energy: -118.925 tors. eta vs tors. theta energy: -263.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2812.416387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.416387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.416387 (E_RNA) where: Base-Base interactions energy: -1943.219 where: short stacking energy: -805.545 Base-Backbone interact. energy: -5.573 local terms energy: -863.624226 where: bonds (distance) C4'-P energy: -163.254 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -188.283 flat angles P-C4'-P energy: -119.035 tors. eta vs tors. theta energy: -240.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2584.034164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.034164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.034164 (E_RNA) where: Base-Base interactions energy: -1758.540 where: short stacking energy: -745.179 Base-Backbone interact. energy: -3.230 local terms energy: -822.264039 where: bonds (distance) C4'-P energy: -152.306 bonds (distance) P-C4' energy: -166.613 flat angles C4'-P-C4' energy: -163.427 flat angles P-C4'-P energy: -108.464 tors. eta vs tors. theta energy: -231.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2476.486100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.486100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.486100 (E_RNA) where: Base-Base interactions energy: -1676.831 where: short stacking energy: -696.282 Base-Backbone interact. energy: 1.589 local terms energy: -801.243316 where: bonds (distance) C4'-P energy: -160.203 bonds (distance) P-C4' energy: -150.321 flat angles C4'-P-C4' energy: -189.575 flat angles P-C4'-P energy: -111.191 tors. eta vs tors. theta energy: -189.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2285.005831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.005831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.005831 (E_RNA) where: Base-Base interactions energy: -1573.889 where: short stacking energy: -660.358 Base-Backbone interact. energy: -2.244 local terms energy: -708.872111 where: bonds (distance) C4'-P energy: -137.535 bonds (distance) P-C4' energy: -145.194 flat angles C4'-P-C4' energy: -170.502 flat angles P-C4'-P energy: -93.612 tors. eta vs tors. theta energy: -162.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2026.229637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.229637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.229637 (E_RNA) where: Base-Base interactions energy: -1334.211 where: short stacking energy: -573.494 Base-Backbone interact. energy: -0.129 local terms energy: -691.889420 where: bonds (distance) C4'-P energy: -149.742 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -163.835 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -144.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1720.204805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.204805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.204805 (E_RNA) where: Base-Base interactions energy: -1096.327 where: short stacking energy: -507.566 Base-Backbone interact. energy: 1.253 local terms energy: -625.131263 where: bonds (distance) C4'-P energy: -140.087 bonds (distance) P-C4' energy: -136.607 flat angles C4'-P-C4' energy: -148.960 flat angles P-C4'-P energy: -93.587 tors. eta vs tors. theta energy: -105.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1593.634949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.634949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.634949 (E_RNA) where: Base-Base interactions energy: -991.184 where: short stacking energy: -456.426 Base-Backbone interact. energy: -0.960 local terms energy: -601.491678 where: bonds (distance) C4'-P energy: -129.355 bonds (distance) P-C4' energy: -144.573 flat angles C4'-P-C4' energy: -156.192 flat angles P-C4'-P energy: -74.471 tors. eta vs tors. theta energy: -96.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1199.987476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.987476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.987476 (E_RNA) where: Base-Base interactions energy: -691.847 where: short stacking energy: -329.496 Base-Backbone interact. energy: -1.755 local terms energy: -506.384729 where: bonds (distance) C4'-P energy: -114.553 bonds (distance) P-C4' energy: -135.633 flat angles C4'-P-C4' energy: -123.574 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -56.912 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: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -707.583724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.583724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.583724 (E_RNA) where: Base-Base interactions energy: -297.216 where: short stacking energy: -199.922 Base-Backbone interact. energy: 3.180 local terms energy: -413.547433 where: bonds (distance) C4'-P energy: -148.837 bonds (distance) P-C4' energy: -134.599 flat angles C4'-P-C4' energy: -96.373 flat angles P-C4'-P energy: -59.761 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: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2890.626651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.626651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.626651 (E_RNA) where: Base-Base interactions energy: -1993.179 where: short stacking energy: -839.299 Base-Backbone interact. energy: -5.986 local terms energy: -891.461517 where: bonds (distance) C4'-P energy: -155.664 bonds (distance) P-C4' energy: -161.858 flat angles C4'-P-C4' energy: -200.741 flat angles P-C4'-P energy: -123.067 tors. eta vs tors. theta energy: -250.132 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: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2809.736637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.736637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.736637 (E_RNA) where: Base-Base interactions energy: -1938.209 where: short stacking energy: -865.413 Base-Backbone interact. energy: -0.219 local terms energy: -871.308544 where: bonds (distance) C4'-P energy: -165.861 bonds (distance) P-C4' energy: -158.254 flat angles C4'-P-C4' energy: -184.877 flat angles P-C4'-P energy: -112.118 tors. eta vs tors. theta energy: -250.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2563.315107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.315107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.315107 (E_RNA) where: Base-Base interactions energy: -1738.290 where: short stacking energy: -727.324 Base-Backbone interact. energy: -1.848 local terms energy: -823.177391 where: bonds (distance) C4'-P energy: -158.737 bonds (distance) P-C4' energy: -169.111 flat angles C4'-P-C4' energy: -163.488 flat angles P-C4'-P energy: -121.985 tors. eta vs tors. theta energy: -209.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2418.028650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.028650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.028650 (E_RNA) where: Base-Base interactions energy: -1681.872 where: short stacking energy: -690.290 Base-Backbone interact. energy: -2.139 local terms energy: -734.016742 where: bonds (distance) C4'-P energy: -131.627 bonds (distance) P-C4' energy: -154.013 flat angles C4'-P-C4' energy: -162.822 flat angles P-C4'-P energy: -112.677 tors. eta vs tors. theta energy: -172.878 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: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2325.568100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.568100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.568100 (E_RNA) where: Base-Base interactions energy: -1604.977 where: short stacking energy: -699.130 Base-Backbone interact. energy: -2.959 local terms energy: -717.631784 where: bonds (distance) C4'-P energy: -137.182 bonds (distance) P-C4' energy: -143.080 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -109.374 tors. eta vs tors. theta energy: -171.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2045.843991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.843991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.843991 (E_RNA) where: Base-Base interactions energy: -1358.382 where: short stacking energy: -617.549 Base-Backbone interact. energy: -2.645 local terms energy: -684.816438 where: bonds (distance) C4'-P energy: -150.491 bonds (distance) P-C4' energy: -128.969 flat angles C4'-P-C4' energy: -170.091 flat angles P-C4'-P energy: -101.896 tors. eta vs tors. theta energy: -133.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1666.982279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.982279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.982279 (E_RNA) where: Base-Base interactions energy: -1059.950 where: short stacking energy: -464.264 Base-Backbone interact. energy: 0.527 local terms energy: -607.558947 where: bonds (distance) C4'-P energy: -161.209 bonds (distance) P-C4' energy: -142.768 flat angles C4'-P-C4' energy: -142.929 flat angles P-C4'-P energy: -75.453 tors. eta vs tors. theta energy: -85.200 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: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1587.557477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.557477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.557477 (E_RNA) where: Base-Base interactions energy: -1023.840 where: short stacking energy: -454.441 Base-Backbone interact. energy: 4.900 local terms energy: -568.617584 where: bonds (distance) C4'-P energy: -125.199 bonds (distance) P-C4' energy: -138.357 flat angles C4'-P-C4' energy: -138.271 flat angles P-C4'-P energy: -86.143 tors. eta vs tors. theta energy: -80.648 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: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1139.994961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.994961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.994961 (E_RNA) where: Base-Base interactions energy: -638.033 where: short stacking energy: -325.613 Base-Backbone interact. energy: 2.076 local terms energy: -504.038329 where: bonds (distance) C4'-P energy: -124.883 bonds (distance) P-C4' energy: -147.681 flat angles C4'-P-C4' energy: -121.258 flat angles P-C4'-P energy: -91.232 tors. eta vs tors. theta energy: -18.984 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: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -687.394236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.394236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.394236 (E_RNA) where: Base-Base interactions energy: -302.478 where: short stacking energy: -195.459 Base-Backbone interact. energy: -0.494 local terms energy: -384.422034 where: bonds (distance) C4'-P energy: -124.731 bonds (distance) P-C4' energy: -138.431 flat angles C4'-P-C4' energy: -90.199 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: 16.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2854.427967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.427967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.427967 (E_RNA) where: Base-Base interactions energy: -1999.728 where: short stacking energy: -836.255 Base-Backbone interact. energy: -4.539 local terms energy: -850.161337 where: bonds (distance) C4'-P energy: -153.076 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -177.401 flat angles P-C4'-P energy: -128.372 tors. eta vs tors. theta energy: -250.965 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: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2791.081785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.081785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.081785 (E_RNA) where: Base-Base interactions energy: -1917.545 where: short stacking energy: -816.616 Base-Backbone interact. energy: -1.769 local terms energy: -871.767321 where: bonds (distance) C4'-P energy: -165.507 bonds (distance) P-C4' energy: -165.390 flat angles C4'-P-C4' energy: -182.745 flat angles P-C4'-P energy: -119.123 tors. eta vs tors. theta energy: -239.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2563.679218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.679218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.679218 (E_RNA) where: Base-Base interactions energy: -1745.033 where: short stacking energy: -738.806 Base-Backbone interact. energy: -3.947 local terms energy: -814.699036 where: bonds (distance) C4'-P energy: -167.921 bonds (distance) P-C4' energy: -148.371 flat angles C4'-P-C4' energy: -165.467 flat angles P-C4'-P energy: -114.544 tors. eta vs tors. theta energy: -218.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2471.377045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.377045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.377045 (E_RNA) where: Base-Base interactions energy: -1690.158 where: short stacking energy: -715.691 Base-Backbone interact. energy: 1.133 local terms energy: -782.352076 where: bonds (distance) C4'-P energy: -153.164 bonds (distance) P-C4' energy: -143.626 flat angles C4'-P-C4' energy: -165.095 flat angles P-C4'-P energy: -111.567 tors. eta vs tors. theta energy: -208.901 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: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2277.041108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.041108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.041108 (E_RNA) where: Base-Base interactions energy: -1569.635 where: short stacking energy: -644.421 Base-Backbone interact. energy: -3.002 local terms energy: -704.403978 where: bonds (distance) C4'-P energy: -140.597 bonds (distance) P-C4' energy: -150.066 flat angles C4'-P-C4' energy: -152.446 flat angles P-C4'-P energy: -101.366 tors. eta vs tors. theta energy: -159.929 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: 213 Temperature: 1.150000 Total energy: -2018.853575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.853575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.853575 (E_RNA) where: Base-Base interactions energy: -1352.188 where: short stacking energy: -581.854 Base-Backbone interact. energy: 0.731 local terms energy: -667.396756 where: bonds (distance) C4'-P energy: -134.317 bonds (distance) P-C4' energy: -154.997 flat angles C4'-P-C4' energy: -148.258 flat angles P-C4'-P energy: -91.007 tors. eta vs tors. theta energy: -138.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1653.789857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.789857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.789857 (E_RNA) where: Base-Base interactions energy: -1025.469 where: short stacking energy: -463.147 Base-Backbone interact. energy: 0.819 local terms energy: -629.139582 where: bonds (distance) C4'-P energy: -117.377 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -170.698 flat angles P-C4'-P energy: -87.956 tors. eta vs tors. theta energy: -99.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1596.116838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.116838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.116838 (E_RNA) where: Base-Base interactions energy: -1007.104 where: short stacking energy: -451.809 Base-Backbone interact. energy: -1.785 local terms energy: -587.227428 where: bonds (distance) C4'-P energy: -135.630 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -140.014 flat angles P-C4'-P energy: -95.551 tors. eta vs tors. theta energy: -85.967 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: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1143.833707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.833707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.833707 (E_RNA) where: Base-Base interactions energy: -667.366 where: short stacking energy: -304.770 Base-Backbone interact. energy: 1.967 local terms energy: -478.435158 where: bonds (distance) C4'-P energy: -129.168 bonds (distance) P-C4' energy: -150.724 flat angles C4'-P-C4' energy: -103.191 flat angles P-C4'-P energy: -59.184 tors. eta vs tors. theta energy: -36.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -787.573305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.573305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.573305 (E_RNA) where: Base-Base interactions energy: -343.671 where: short stacking energy: -224.504 Base-Backbone interact. energy: 0.951 local terms energy: -444.853727 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -163.236 flat angles C4'-P-C4' energy: -120.559 flat angles P-C4'-P energy: -52.360 tors. eta vs tors. theta energy: 6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2867.694855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.694855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.694855 (E_RNA) where: Base-Base interactions energy: -1984.412 where: short stacking energy: -817.865 Base-Backbone interact. energy: -6.702 local terms energy: -876.580576 where: bonds (distance) C4'-P energy: -152.499 bonds (distance) P-C4' energy: -168.704 flat angles C4'-P-C4' energy: -174.413 flat angles P-C4'-P energy: -138.208 tors. eta vs tors. theta energy: -242.756 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: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2770.443036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.443036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.443036 (E_RNA) where: Base-Base interactions energy: -1882.255 where: short stacking energy: -814.691 Base-Backbone interact. energy: -2.568 local terms energy: -885.620476 where: bonds (distance) C4'-P energy: -158.504 bonds (distance) P-C4' energy: -161.999 flat angles C4'-P-C4' energy: -189.716 flat angles P-C4'-P energy: -128.355 tors. eta vs tors. theta energy: -247.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2589.945938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.945938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.945938 (E_RNA) where: Base-Base interactions energy: -1733.600 where: short stacking energy: -760.714 Base-Backbone interact. energy: -7.227 local terms energy: -849.118239 where: bonds (distance) C4'-P energy: -148.523 bonds (distance) P-C4' energy: -160.288 flat angles C4'-P-C4' energy: -187.092 flat angles P-C4'-P energy: -120.291 tors. eta vs tors. theta energy: -232.925 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: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2463.697606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.697606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.697606 (E_RNA) where: Base-Base interactions energy: -1659.341 where: short stacking energy: -702.610 Base-Backbone interact. energy: -4.529 local terms energy: -799.827738 where: bonds (distance) C4'-P energy: -169.886 bonds (distance) P-C4' energy: -154.597 flat angles C4'-P-C4' energy: -174.229 flat angles P-C4'-P energy: -109.986 tors. eta vs tors. theta energy: -191.131 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: 214 Temperature: 1.100000 Total energy: -2302.148561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.148561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.148561 (E_RNA) where: Base-Base interactions energy: -1550.576 where: short stacking energy: -625.062 Base-Backbone interact. energy: 2.261 local terms energy: -753.833301 where: bonds (distance) C4'-P energy: -145.688 bonds (distance) P-C4' energy: -151.866 flat angles C4'-P-C4' energy: -175.947 flat angles P-C4'-P energy: -117.800 tors. eta vs tors. theta energy: -162.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2015.383883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.383883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.383883 (E_RNA) where: Base-Base interactions energy: -1354.869 where: short stacking energy: -577.489 Base-Backbone interact. energy: -0.056 local terms energy: -660.458917 where: bonds (distance) C4'-P energy: -139.520 bonds (distance) P-C4' energy: -139.878 flat angles C4'-P-C4' energy: -162.959 flat angles P-C4'-P energy: -90.078 tors. eta vs tors. theta energy: -128.025 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: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1646.093810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.093810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.093810 (E_RNA) where: Base-Base interactions energy: -1040.377 where: short stacking energy: -462.530 Base-Backbone interact. energy: -2.578 local terms energy: -603.138828 where: bonds (distance) C4'-P energy: -133.040 bonds (distance) P-C4' energy: -160.408 flat angles C4'-P-C4' energy: -132.165 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -90.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1597.780457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.780457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.780457 (E_RNA) where: Base-Base interactions energy: -1007.252 where: short stacking energy: -467.066 Base-Backbone interact. energy: -0.398 local terms energy: -590.131080 where: bonds (distance) C4'-P energy: -136.921 bonds (distance) P-C4' energy: -134.177 flat angles C4'-P-C4' energy: -151.059 flat angles P-C4'-P energy: -74.434 tors. eta vs tors. theta energy: -93.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1075.731547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.731547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.731547 (E_RNA) where: Base-Base interactions energy: -598.121 where: short stacking energy: -301.773 Base-Backbone interact. energy: 1.531 local terms energy: -479.141146 where: bonds (distance) C4'-P energy: -131.689 bonds (distance) P-C4' energy: -133.847 flat angles C4'-P-C4' energy: -128.103 flat angles P-C4'-P energy: -56.616 tors. eta vs tors. theta energy: -28.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -813.351136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.351136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.351136 (E_RNA) where: Base-Base interactions energy: -365.999 where: short stacking energy: -207.476 Base-Backbone interact. energy: -0.212 local terms energy: -447.140570 where: bonds (distance) C4'-P energy: -145.382 bonds (distance) P-C4' energy: -145.616 flat angles C4'-P-C4' energy: -111.657 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: 15.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2877.673528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.673528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.673528 (E_RNA) where: Base-Base interactions energy: -1993.745 where: short stacking energy: -821.488 Base-Backbone interact. energy: -7.734 local terms energy: -876.194226 where: bonds (distance) C4'-P energy: -175.704 bonds (distance) P-C4' energy: -157.286 flat angles C4'-P-C4' energy: -174.742 flat angles P-C4'-P energy: -122.229 tors. eta vs tors. theta energy: -246.234 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: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2786.478774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.478774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.478774 (E_RNA) where: Base-Base interactions energy: -1905.491 where: short stacking energy: -814.520 Base-Backbone interact. energy: -3.192 local terms energy: -877.796270 where: bonds (distance) C4'-P energy: -153.676 bonds (distance) P-C4' energy: -161.452 flat angles C4'-P-C4' energy: -186.227 flat angles P-C4'-P energy: -126.503 tors. eta vs tors. theta energy: -249.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2569.396117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.396117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.396117 (E_RNA) where: Base-Base interactions energy: -1710.039 where: short stacking energy: -761.851 Base-Backbone interact. energy: -2.994 local terms energy: -856.362521 where: bonds (distance) C4'-P energy: -157.041 bonds (distance) P-C4' energy: -157.144 flat angles C4'-P-C4' energy: -190.035 flat angles P-C4'-P energy: -124.167 tors. eta vs tors. theta energy: -227.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2448.224879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.224879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.224879 (E_RNA) where: Base-Base interactions energy: -1664.630 where: short stacking energy: -716.772 Base-Backbone interact. energy: 1.976 local terms energy: -785.571636 where: bonds (distance) C4'-P energy: -150.847 bonds (distance) P-C4' energy: -172.626 flat angles C4'-P-C4' energy: -169.555 flat angles P-C4'-P energy: -103.121 tors. eta vs tors. theta energy: -189.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2271.738403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.738403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.738403 (E_RNA) where: Base-Base interactions energy: -1537.468 where: short stacking energy: -621.928 Base-Backbone interact. energy: -3.637 local terms energy: -730.633234 where: bonds (distance) C4'-P energy: -144.357 bonds (distance) P-C4' energy: -156.085 flat angles C4'-P-C4' energy: -172.185 flat angles P-C4'-P energy: -104.138 tors. eta vs tors. theta energy: -153.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2039.222528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.222528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.222528 (E_RNA) where: Base-Base interactions energy: -1356.567 where: short stacking energy: -587.924 Base-Backbone interact. energy: -3.131 local terms energy: -679.524288 where: bonds (distance) C4'-P energy: -131.594 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -154.092 flat angles P-C4'-P energy: -116.921 tors. eta vs tors. theta energy: -137.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1585.411964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.411964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.411964 (E_RNA) where: Base-Base interactions energy: -1013.673 where: short stacking energy: -453.320 Base-Backbone interact. energy: 3.469 local terms energy: -575.207744 where: bonds (distance) C4'-P energy: -119.705 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -133.672 flat angles P-C4'-P energy: -81.419 tors. eta vs tors. theta energy: -95.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1576.838754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.838754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.838754 (E_RNA) where: Base-Base interactions energy: -972.810 where: short stacking energy: -453.897 Base-Backbone interact. energy: -2.205 local terms energy: -601.823952 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -139.205 flat angles C4'-P-C4' energy: -147.077 flat angles P-C4'-P energy: -100.552 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: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1056.512432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.512432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.512432 (E_RNA) where: Base-Base interactions energy: -575.546 where: short stacking energy: -292.323 Base-Backbone interact. energy: 3.643 local terms energy: -484.609761 where: bonds (distance) C4'-P energy: -125.031 bonds (distance) P-C4' energy: -148.134 flat angles C4'-P-C4' energy: -100.503 flat angles P-C4'-P energy: -68.891 tors. eta vs tors. theta energy: -42.052 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: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -793.724936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.724936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.724936 (E_RNA) where: Base-Base interactions energy: -392.715 where: short stacking energy: -222.097 Base-Backbone interact. energy: 2.662 local terms energy: -403.672324 where: bonds (distance) C4'-P energy: -119.731 bonds (distance) P-C4' energy: -134.985 flat angles C4'-P-C4' energy: -115.252 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: 17.988 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: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2861.259876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.259876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.259876 (E_RNA) where: Base-Base interactions energy: -1992.719 where: short stacking energy: -889.960 Base-Backbone interact. energy: 3.276 local terms energy: -871.817080 where: bonds (distance) C4'-P energy: -152.955 bonds (distance) P-C4' energy: -149.220 flat angles C4'-P-C4' energy: -183.045 flat angles P-C4'-P energy: -127.121 tors. eta vs tors. theta energy: -259.477 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: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2768.375302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.375302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.375302 (E_RNA) where: Base-Base interactions energy: -1922.874 where: short stacking energy: -804.843 Base-Backbone interact. energy: 2.235 local terms energy: -847.735960 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -171.265 flat angles C4'-P-C4' energy: -190.214 flat angles P-C4'-P energy: -107.470 tors. eta vs tors. theta energy: -229.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2558.387404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.387404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.387404 (E_RNA) where: Base-Base interactions energy: -1717.096 where: short stacking energy: -716.964 Base-Backbone interact. energy: -5.236 local terms energy: -836.055846 where: bonds (distance) C4'-P energy: -154.997 bonds (distance) P-C4' energy: -172.482 flat angles C4'-P-C4' energy: -163.256 flat angles P-C4'-P energy: -136.767 tors. eta vs tors. theta energy: -208.554 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: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2460.092689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.092689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.092689 (E_RNA) where: Base-Base interactions energy: -1650.090 where: short stacking energy: -701.170 Base-Backbone interact. energy: 1.824 local terms energy: -811.826983 where: bonds (distance) C4'-P energy: -161.770 bonds (distance) P-C4' energy: -151.859 flat angles C4'-P-C4' energy: -180.870 flat angles P-C4'-P energy: -119.646 tors. eta vs tors. theta energy: -197.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2305.287888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.287888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.287888 (E_RNA) where: Base-Base interactions energy: -1541.207 where: short stacking energy: -665.156 Base-Backbone interact. energy: -2.810 local terms energy: -761.271534 where: bonds (distance) C4'-P energy: -154.994 bonds (distance) P-C4' energy: -154.136 flat angles C4'-P-C4' energy: -162.121 flat angles P-C4'-P energy: -108.343 tors. eta vs tors. theta energy: -181.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2041.334453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.334453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.334453 (E_RNA) where: Base-Base interactions energy: -1345.182 where: short stacking energy: -593.981 Base-Backbone interact. energy: -2.607 local terms energy: -693.544881 where: bonds (distance) C4'-P energy: -146.346 bonds (distance) P-C4' energy: -139.012 flat angles C4'-P-C4' energy: -157.861 flat angles P-C4'-P energy: -110.943 tors. eta vs tors. theta energy: -139.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1668.685131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.685131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.685131 (E_RNA) where: Base-Base interactions energy: -1046.195 where: short stacking energy: -502.941 Base-Backbone interact. energy: 1.105 local terms energy: -623.594493 where: bonds (distance) C4'-P energy: -126.965 bonds (distance) P-C4' energy: -154.238 flat angles C4'-P-C4' energy: -151.878 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: -113.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1488.583287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.583287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.583287 (E_RNA) where: Base-Base interactions energy: -884.225 where: short stacking energy: -414.006 Base-Backbone interact. energy: 0.526 local terms energy: -604.884377 where: bonds (distance) C4'-P energy: -143.909 bonds (distance) P-C4' energy: -161.594 flat angles C4'-P-C4' energy: -147.002 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -80.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1045.768261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.768261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.768261 (E_RNA) where: Base-Base interactions energy: -551.302 where: short stacking energy: -264.215 Base-Backbone interact. energy: -4.582 local terms energy: -489.884058 where: bonds (distance) C4'-P energy: -149.225 bonds (distance) P-C4' energy: -144.425 flat angles C4'-P-C4' energy: -129.379 flat angles P-C4'-P energy: -72.161 tors. eta vs tors. theta energy: 5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -808.676768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.676768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.676768 (E_RNA) where: Base-Base interactions energy: -394.855 where: short stacking energy: -228.120 Base-Backbone interact. energy: -3.617 local terms energy: -410.204744 where: bonds (distance) C4'-P energy: -115.421 bonds (distance) P-C4' energy: -118.163 flat angles C4'-P-C4' energy: -126.475 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: 13.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2863.999802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.999802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.999802 (E_RNA) where: Base-Base interactions energy: -1961.685 where: short stacking energy: -845.354 Base-Backbone interact. energy: -2.755 local terms energy: -899.559626 where: bonds (distance) C4'-P energy: -153.657 bonds (distance) P-C4' energy: -170.960 flat angles C4'-P-C4' energy: -186.364 flat angles P-C4'-P energy: -135.377 tors. eta vs tors. theta energy: -253.201 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: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2789.026213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.026213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.026213 (E_RNA) where: Base-Base interactions energy: -1933.451 where: short stacking energy: -829.043 Base-Backbone interact. energy: -3.114 local terms energy: -852.460471 where: bonds (distance) C4'-P energy: -145.932 bonds (distance) P-C4' energy: -152.740 flat angles C4'-P-C4' energy: -180.914 flat angles P-C4'-P energy: -128.626 tors. eta vs tors. theta energy: -244.248 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: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2568.975665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.975665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.975665 (E_RNA) where: Base-Base interactions energy: -1766.156 where: short stacking energy: -766.618 Base-Backbone interact. energy: -1.975 local terms energy: -800.844649 where: bonds (distance) C4'-P energy: -136.053 bonds (distance) P-C4' energy: -150.180 flat angles C4'-P-C4' energy: -171.308 flat angles P-C4'-P energy: -119.139 tors. eta vs tors. theta energy: -224.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2500.030358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.030358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.030358 (E_RNA) where: Base-Base interactions energy: -1695.426 where: short stacking energy: -724.882 Base-Backbone interact. energy: 2.252 local terms energy: -806.857181 where: bonds (distance) C4'-P energy: -150.962 bonds (distance) P-C4' energy: -152.297 flat angles C4'-P-C4' energy: -170.670 flat angles P-C4'-P energy: -117.960 tors. eta vs tors. theta energy: -214.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2287.046646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.046646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.046646 (E_RNA) where: Base-Base interactions energy: -1539.048 where: short stacking energy: -634.218 Base-Backbone interact. energy: -2.937 local terms energy: -745.062218 where: bonds (distance) C4'-P energy: -139.661 bonds (distance) P-C4' energy: -167.000 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -105.461 tors. eta vs tors. theta energy: -165.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2088.796041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.796041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.796041 (E_RNA) where: Base-Base interactions energy: -1402.099 where: short stacking energy: -614.352 Base-Backbone interact. energy: 6.103 local terms energy: -692.800050 where: bonds (distance) C4'-P energy: -135.117 bonds (distance) P-C4' energy: -148.959 flat angles C4'-P-C4' energy: -172.028 flat angles P-C4'-P energy: -79.893 tors. eta vs tors. theta energy: -156.803 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: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1703.257741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.257741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.257741 (E_RNA) where: Base-Base interactions energy: -1075.552 where: short stacking energy: -512.810 Base-Backbone interact. energy: -4.229 local terms energy: -623.476136 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -108.023 flat angles C4'-P-C4' energy: -164.965 flat angles P-C4'-P energy: -86.421 tors. eta vs tors. theta energy: -120.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1577.652394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.652394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.652394 (E_RNA) where: Base-Base interactions energy: -1020.146 where: short stacking energy: -484.921 Base-Backbone interact. energy: -1.043 local terms energy: -556.463842 where: bonds (distance) C4'-P energy: -120.737 bonds (distance) P-C4' energy: -123.777 flat angles C4'-P-C4' energy: -142.588 flat angles P-C4'-P energy: -76.057 tors. eta vs tors. theta energy: -93.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1092.292828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.292828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.292828 (E_RNA) where: Base-Base interactions energy: -596.445 where: short stacking energy: -309.243 Base-Backbone interact. energy: 0.126 local terms energy: -495.973946 where: bonds (distance) C4'-P energy: -119.294 bonds (distance) P-C4' energy: -144.460 flat angles C4'-P-C4' energy: -141.092 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -26.488 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: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -774.703165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.703165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.703165 (E_RNA) where: Base-Base interactions energy: -354.267 where: short stacking energy: -205.721 Base-Backbone interact. energy: -3.705 local terms energy: -416.731816 where: bonds (distance) C4'-P energy: -116.898 bonds (distance) P-C4' energy: -149.912 flat angles C4'-P-C4' energy: -104.791 flat angles P-C4'-P energy: -45.408 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2845.227988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.227988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.227988 (E_RNA) where: Base-Base interactions energy: -1958.148 where: short stacking energy: -855.803 Base-Backbone interact. energy: -4.900 local terms energy: -882.179635 where: bonds (distance) C4'-P energy: -141.347 bonds (distance) P-C4' energy: -163.273 flat angles C4'-P-C4' energy: -190.485 flat angles P-C4'-P energy: -124.270 tors. eta vs tors. theta energy: -262.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2786.420680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.420680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.420680 (E_RNA) where: Base-Base interactions energy: -1905.705 where: short stacking energy: -786.991 Base-Backbone interact. energy: -2.737 local terms energy: -877.978862 where: bonds (distance) C4'-P energy: -176.772 bonds (distance) P-C4' energy: -180.492 flat angles C4'-P-C4' energy: -169.632 flat angles P-C4'-P energy: -123.547 tors. eta vs tors. theta energy: -227.536 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: 218 Temperature: 1.000000 Total energy: -2617.718062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.718062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.718062 (E_RNA) where: Base-Base interactions energy: -1777.495 where: short stacking energy: -754.107 Base-Backbone interact. energy: -9.371 local terms energy: -830.852184 where: bonds (distance) C4'-P energy: -145.814 bonds (distance) P-C4' energy: -162.928 flat angles C4'-P-C4' energy: -192.020 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -222.831 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: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2416.208751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.208751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.208751 (E_RNA) where: Base-Base interactions energy: -1627.233 where: short stacking energy: -727.566 Base-Backbone interact. energy: -3.656 local terms energy: -785.319229 where: bonds (distance) C4'-P energy: -146.655 bonds (distance) P-C4' energy: -162.530 flat angles C4'-P-C4' energy: -177.471 flat angles P-C4'-P energy: -104.939 tors. eta vs tors. theta energy: -193.724 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: 218 Temperature: 1.100000 Total energy: -2354.764137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.764137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.764137 (E_RNA) where: Base-Base interactions energy: -1604.480 where: short stacking energy: -663.678 Base-Backbone interact. energy: -5.998 local terms energy: -744.286493 where: bonds (distance) C4'-P energy: -156.552 bonds (distance) P-C4' energy: -149.458 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -91.845 tors. eta vs tors. theta energy: -186.120 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: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2062.376580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.376580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.376580 (E_RNA) where: Base-Base interactions energy: -1366.350 where: short stacking energy: -578.966 Base-Backbone interact. energy: -4.762 local terms energy: -691.264555 where: bonds (distance) C4'-P energy: -150.632 bonds (distance) P-C4' energy: -134.144 flat angles C4'-P-C4' energy: -151.059 flat angles P-C4'-P energy: -89.825 tors. eta vs tors. theta energy: -165.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1683.167637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.167637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.167637 (E_RNA) where: Base-Base interactions energy: -1082.949 where: short stacking energy: -492.512 Base-Backbone interact. energy: -4.563 local terms energy: -595.655727 where: bonds (distance) C4'-P energy: -119.529 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -144.247 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -108.521 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: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1562.405574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.405574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.405574 (E_RNA) where: Base-Base interactions energy: -974.425 where: short stacking energy: -444.030 Base-Backbone interact. energy: -2.883 local terms energy: -585.097693 where: bonds (distance) C4'-P energy: -124.969 bonds (distance) P-C4' energy: -143.933 flat angles C4'-P-C4' energy: -145.203 flat angles P-C4'-P energy: -84.221 tors. eta vs tors. theta energy: -86.771 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: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1065.351276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.351276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.351276 (E_RNA) where: Base-Base interactions energy: -603.319 where: short stacking energy: -301.302 Base-Backbone interact. energy: 6.326 local terms energy: -468.357854 where: bonds (distance) C4'-P energy: -132.496 bonds (distance) P-C4' energy: -137.483 flat angles C4'-P-C4' energy: -117.319 flat angles P-C4'-P energy: -72.816 tors. eta vs tors. theta energy: -8.244 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: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -795.024044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.024044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.024044 (E_RNA) where: Base-Base interactions energy: -335.740 where: short stacking energy: -167.019 Base-Backbone interact. energy: -1.345 local terms energy: -457.939097 where: bonds (distance) C4'-P energy: -129.882 bonds (distance) P-C4' energy: -143.511 flat angles C4'-P-C4' energy: -109.938 flat angles P-C4'-P energy: -92.209 tors. eta vs tors. theta energy: 17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2871.309892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.309892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.309892 (E_RNA) where: Base-Base interactions energy: -1971.941 where: short stacking energy: -874.924 Base-Backbone interact. energy: -1.579 local terms energy: -897.790306 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -160.942 flat angles C4'-P-C4' energy: -186.113 flat angles P-C4'-P energy: -134.723 tors. eta vs tors. theta energy: -264.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2780.592808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.592808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.592808 (E_RNA) where: Base-Base interactions energy: -1914.031 where: short stacking energy: -805.247 Base-Backbone interact. energy: -4.371 local terms energy: -862.191449 where: bonds (distance) C4'-P energy: -153.800 bonds (distance) P-C4' energy: -158.819 flat angles C4'-P-C4' energy: -182.893 flat angles P-C4'-P energy: -130.082 tors. eta vs tors. theta energy: -236.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2606.253177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.253177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.253177 (E_RNA) where: Base-Base interactions energy: -1751.823 where: short stacking energy: -732.537 Base-Backbone interact. energy: -4.417 local terms energy: -850.013882 where: bonds (distance) C4'-P energy: -173.115 bonds (distance) P-C4' energy: -157.312 flat angles C4'-P-C4' energy: -175.748 flat angles P-C4'-P energy: -117.989 tors. eta vs tors. theta energy: -225.850 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: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2420.190415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.190415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.190415 (E_RNA) where: Base-Base interactions energy: -1650.436 where: short stacking energy: -698.184 Base-Backbone interact. energy: -4.751 local terms energy: -765.003687 where: bonds (distance) C4'-P energy: -157.756 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -172.817 flat angles P-C4'-P energy: -100.063 tors. eta vs tors. theta energy: -194.140 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: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2306.181107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.181107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.181107 (E_RNA) where: Base-Base interactions energy: -1608.300 where: short stacking energy: -674.043 Base-Backbone interact. energy: -1.369 local terms energy: -696.512045 where: bonds (distance) C4'-P energy: -130.117 bonds (distance) P-C4' energy: -138.523 flat angles C4'-P-C4' energy: -146.202 flat angles P-C4'-P energy: -91.378 tors. eta vs tors. theta energy: -190.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2050.451983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.451983 (E_RNA) where: Base-Base interactions energy: -1368.505 where: short stacking energy: -589.543 Base-Backbone interact. energy: -0.115 local terms energy: -681.832559 where: bonds (distance) C4'-P energy: -152.222 bonds (distance) P-C4' energy: -131.109 flat angles C4'-P-C4' energy: -149.558 flat angles P-C4'-P energy: -103.812 tors. eta vs tors. theta energy: -145.132 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: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1685.791504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.791504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.791504 (E_RNA) where: Base-Base interactions energy: -1090.676 where: short stacking energy: -517.212 Base-Backbone interact. energy: 2.513 local terms energy: -597.628596 where: bonds (distance) C4'-P energy: -126.087 bonds (distance) P-C4' energy: -134.210 flat angles C4'-P-C4' energy: -145.486 flat angles P-C4'-P energy: -82.335 tors. eta vs tors. theta energy: -109.510 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: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1641.902617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.902617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.902617 (E_RNA) where: Base-Base interactions energy: -1018.508 where: short stacking energy: -475.058 Base-Backbone interact. energy: -3.596 local terms energy: -619.798566 where: bonds (distance) C4'-P energy: -133.550 bonds (distance) P-C4' energy: -156.911 flat angles C4'-P-C4' energy: -134.039 flat angles P-C4'-P energy: -81.422 tors. eta vs tors. theta energy: -113.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1102.868251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.868251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.868251 (E_RNA) where: Base-Base interactions energy: -621.322 where: short stacking energy: -311.450 Base-Backbone interact. energy: -1.305 local terms energy: -480.242161 where: bonds (distance) C4'-P energy: -141.274 bonds (distance) P-C4' energy: -132.500 flat angles C4'-P-C4' energy: -114.403 flat angles P-C4'-P energy: -76.890 tors. eta vs tors. theta energy: -15.175 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: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -741.261776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.261776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.261776 (E_RNA) where: Base-Base interactions energy: -323.599 where: short stacking energy: -192.705 Base-Backbone interact. energy: 1.526 local terms energy: -419.189037 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -154.788 flat angles C4'-P-C4' energy: -102.910 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: 27.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2867.475536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.475536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.475536 (E_RNA) where: Base-Base interactions energy: -1998.113 where: short stacking energy: -860.133 Base-Backbone interact. energy: -2.260 local terms energy: -867.102423 where: bonds (distance) C4'-P energy: -148.315 bonds (distance) P-C4' energy: -165.945 flat angles C4'-P-C4' energy: -182.117 flat angles P-C4'-P energy: -109.211 tors. eta vs tors. theta energy: -261.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2784.674105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.674105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.674105 (E_RNA) where: Base-Base interactions energy: -1925.677 where: short stacking energy: -793.292 Base-Backbone interact. energy: -7.565 local terms energy: -851.432197 where: bonds (distance) C4'-P energy: -160.252 bonds (distance) P-C4' energy: -151.564 flat angles C4'-P-C4' energy: -165.098 flat angles P-C4'-P energy: -140.412 tors. eta vs tors. theta energy: -234.106 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: 220 Temperature: 1.000000 Total energy: -2651.196206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.196206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.196206 (E_RNA) where: Base-Base interactions energy: -1812.651 where: short stacking energy: -761.410 Base-Backbone interact. energy: -3.975 local terms energy: -834.570632 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -157.967 flat angles C4'-P-C4' energy: -186.636 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -232.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2406.363891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.363891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.363891 (E_RNA) where: Base-Base interactions energy: -1643.746 where: short stacking energy: -684.823 Base-Backbone interact. energy: -1.218 local terms energy: -761.399949 where: bonds (distance) C4'-P energy: -143.658 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -189.041 flat angles P-C4'-P energy: -106.491 tors. eta vs tors. theta energy: -175.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2304.079673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.079673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.079673 (E_RNA) where: Base-Base interactions energy: -1586.419 where: short stacking energy: -656.019 Base-Backbone interact. energy: -0.895 local terms energy: -716.765549 where: bonds (distance) C4'-P energy: -143.487 bonds (distance) P-C4' energy: -138.762 flat angles C4'-P-C4' energy: -159.142 flat angles P-C4'-P energy: -103.265 tors. eta vs tors. theta energy: -172.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2051.683400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.683400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.683400 (E_RNA) where: Base-Base interactions energy: -1354.803 where: short stacking energy: -596.687 Base-Backbone interact. energy: -1.611 local terms energy: -695.270030 where: bonds (distance) C4'-P energy: -146.764 bonds (distance) P-C4' energy: -144.954 flat angles C4'-P-C4' energy: -152.800 flat angles P-C4'-P energy: -89.637 tors. eta vs tors. theta energy: -161.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1719.125202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.125202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.125202 (E_RNA) where: Base-Base interactions energy: -1082.167 where: short stacking energy: -475.651 Base-Backbone interact. energy: -1.219 local terms energy: -635.738492 where: bonds (distance) C4'-P energy: -148.668 bonds (distance) P-C4' energy: -141.813 flat angles C4'-P-C4' energy: -154.943 flat angles P-C4'-P energy: -91.314 tors. eta vs tors. theta energy: -99.000 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: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1604.014627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.014627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.014627 (E_RNA) where: Base-Base interactions energy: -1037.715 where: short stacking energy: -472.807 Base-Backbone interact. energy: -2.139 local terms energy: -564.160511 where: bonds (distance) C4'-P energy: -121.908 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -122.995 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -107.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1015.109606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.109606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.109606 (E_RNA) where: Base-Base interactions energy: -539.533 where: short stacking energy: -282.334 Base-Backbone interact. energy: 0.373 local terms energy: -475.948869 where: bonds (distance) C4'-P energy: -123.131 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -120.315 flat angles P-C4'-P energy: -69.538 tors. eta vs tors. theta energy: -19.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -761.263716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.263716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.263716 (E_RNA) where: Base-Base interactions energy: -348.747 where: short stacking energy: -235.857 Base-Backbone interact. energy: -0.326 local terms energy: -412.190848 where: bonds (distance) C4'-P energy: -125.771 bonds (distance) P-C4' energy: -142.375 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: 24.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2890.047866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.047866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.047866 (E_RNA) where: Base-Base interactions energy: -1987.868 where: short stacking energy: -835.723 Base-Backbone interact. energy: -4.636 local terms energy: -897.544136 where: bonds (distance) C4'-P energy: -157.272 bonds (distance) P-C4' energy: -163.296 flat angles C4'-P-C4' energy: -195.067 flat angles P-C4'-P energy: -126.068 tors. eta vs tors. theta energy: -255.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2746.014666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.014666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.014666 (E_RNA) where: Base-Base interactions energy: -1896.568 where: short stacking energy: -786.314 Base-Backbone interact. energy: -0.532 local terms energy: -848.914790 where: bonds (distance) C4'-P energy: -151.287 bonds (distance) P-C4' energy: -146.636 flat angles C4'-P-C4' energy: -184.211 flat angles P-C4'-P energy: -126.702 tors. eta vs tors. theta energy: -240.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2608.826994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.826994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.826994 (E_RNA) where: Base-Base interactions energy: -1779.800 where: short stacking energy: -764.470 Base-Backbone interact. energy: -0.235 local terms energy: -828.791484 where: bonds (distance) C4'-P energy: -145.240 bonds (distance) P-C4' energy: -160.611 flat angles C4'-P-C4' energy: -186.132 flat angles P-C4'-P energy: -119.190 tors. eta vs tors. theta energy: -217.618 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: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2390.790400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.790400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.790400 (E_RNA) where: Base-Base interactions energy: -1615.037 where: short stacking energy: -696.160 Base-Backbone interact. energy: 0.163 local terms energy: -775.916008 where: bonds (distance) C4'-P energy: -152.260 bonds (distance) P-C4' energy: -139.257 flat angles C4'-P-C4' energy: -178.043 flat angles P-C4'-P energy: -114.251 tors. eta vs tors. theta energy: -192.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2298.358134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.358134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.358134 (E_RNA) where: Base-Base interactions energy: -1550.478 where: short stacking energy: -644.512 Base-Backbone interact. energy: -0.635 local terms energy: -747.246029 where: bonds (distance) C4'-P energy: -147.808 bonds (distance) P-C4' energy: -141.939 flat angles C4'-P-C4' energy: -177.358 flat angles P-C4'-P energy: -114.474 tors. eta vs tors. theta energy: -165.668 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: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2033.050697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.050697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.050697 (E_RNA) where: Base-Base interactions energy: -1359.919 where: short stacking energy: -572.905 Base-Backbone interact. energy: -1.738 local terms energy: -671.393379 where: bonds (distance) C4'-P energy: -134.465 bonds (distance) P-C4' energy: -142.653 flat angles C4'-P-C4' energy: -149.445 flat angles P-C4'-P energy: -82.267 tors. eta vs tors. theta energy: -162.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1708.364644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.364644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.364644 (E_RNA) where: Base-Base interactions energy: -1081.673 where: short stacking energy: -494.101 Base-Backbone interact. energy: -0.188 local terms energy: -626.503658 where: bonds (distance) C4'-P energy: -124.367 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -97.334 tors. eta vs tors. theta energy: -109.163 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: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1621.756063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.756063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.756063 (E_RNA) where: Base-Base interactions energy: -999.668 where: short stacking energy: -451.033 Base-Backbone interact. energy: -0.722 local terms energy: -621.365972 where: bonds (distance) C4'-P energy: -137.942 bonds (distance) P-C4' energy: -145.000 flat angles C4'-P-C4' energy: -149.101 flat angles P-C4'-P energy: -89.314 tors. eta vs tors. theta energy: -100.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1009.687687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.687687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.687687 (E_RNA) where: Base-Base interactions energy: -521.737 where: short stacking energy: -264.466 Base-Backbone interact. energy: -2.229 local terms energy: -485.720832 where: bonds (distance) C4'-P energy: -126.925 bonds (distance) P-C4' energy: -139.540 flat angles C4'-P-C4' energy: -136.729 flat angles P-C4'-P energy: -77.942 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -718.990608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.990608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.990608 (E_RNA) where: Base-Base interactions energy: -323.640 where: short stacking energy: -218.589 Base-Backbone interact. energy: 1.517 local terms energy: -396.867697 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -136.963 flat angles C4'-P-C4' energy: -101.921 flat angles P-C4'-P energy: -75.800 tors. eta vs tors. theta energy: 23.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2873.658712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.658712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.658712 (E_RNA) where: Base-Base interactions energy: -1965.627 where: short stacking energy: -856.012 Base-Backbone interact. energy: -3.123 local terms energy: -904.908698 where: bonds (distance) C4'-P energy: -164.934 bonds (distance) P-C4' energy: -172.228 flat angles C4'-P-C4' energy: -186.237 flat angles P-C4'-P energy: -131.405 tors. eta vs tors. theta energy: -250.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2750.704980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.704980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.704980 (E_RNA) where: Base-Base interactions energy: -1899.035 where: short stacking energy: -805.286 Base-Backbone interact. energy: -2.165 local terms energy: -849.504209 where: bonds (distance) C4'-P energy: -157.157 bonds (distance) P-C4' energy: -145.206 flat angles C4'-P-C4' energy: -175.161 flat angles P-C4'-P energy: -134.899 tors. eta vs tors. theta energy: -237.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2624.715451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.715451 (E_RNA) where: Base-Base interactions energy: -1773.284 where: short stacking energy: -743.999 Base-Backbone interact. energy: -4.835 local terms energy: -846.596626 where: bonds (distance) C4'-P energy: -167.157 bonds (distance) P-C4' energy: -164.503 flat angles C4'-P-C4' energy: -183.679 flat angles P-C4'-P energy: -110.011 tors. eta vs tors. theta energy: -221.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2423.380120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.380120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.380120 (E_RNA) where: Base-Base interactions energy: -1621.577 where: short stacking energy: -680.678 Base-Backbone interact. energy: -3.265 local terms energy: -798.538423 where: bonds (distance) C4'-P energy: -153.846 bonds (distance) P-C4' energy: -160.430 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -201.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2279.258506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.258506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.258506 (E_RNA) where: Base-Base interactions energy: -1560.187 where: short stacking energy: -624.873 Base-Backbone interact. energy: -2.518 local terms energy: -716.554442 where: bonds (distance) C4'-P energy: -147.028 bonds (distance) P-C4' energy: -153.416 flat angles C4'-P-C4' energy: -168.109 flat angles P-C4'-P energy: -90.235 tors. eta vs tors. theta energy: -157.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1995.772522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.772522 (E_RNA) where: Base-Base interactions energy: -1322.580 where: short stacking energy: -571.772 Base-Backbone interact. energy: 0.198 local terms energy: -673.390445 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -149.519 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -139.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1648.195855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.195855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.195855 (E_RNA) where: Base-Base interactions energy: -1039.844 where: short stacking energy: -467.910 Base-Backbone interact. energy: 2.183 local terms energy: -610.534285 where: bonds (distance) C4'-P energy: -131.273 bonds (distance) P-C4' energy: -152.988 flat angles C4'-P-C4' energy: -146.516 flat angles P-C4'-P energy: -82.523 tors. eta vs tors. theta energy: -97.234 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: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1603.352910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.352910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.352910 (E_RNA) where: Base-Base interactions energy: -1004.887 where: short stacking energy: -437.088 Base-Backbone interact. energy: -1.119 local terms energy: -597.347199 where: bonds (distance) C4'-P energy: -136.050 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -98.508 tors. eta vs tors. theta energy: -80.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1026.681079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.681079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.681079 (E_RNA) where: Base-Base interactions energy: -557.048 where: short stacking energy: -262.693 Base-Backbone interact. energy: -2.606 local terms energy: -467.027397 where: bonds (distance) C4'-P energy: -109.822 bonds (distance) P-C4' energy: -122.987 flat angles C4'-P-C4' energy: -133.188 flat angles P-C4'-P energy: -92.378 tors. eta vs tors. theta energy: -8.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -708.169418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.169418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.169418 (E_RNA) where: Base-Base interactions energy: -275.440 where: short stacking energy: -165.593 Base-Backbone interact. energy: 3.356 local terms energy: -436.085613 where: bonds (distance) C4'-P energy: -141.149 bonds (distance) P-C4' energy: -146.227 flat angles C4'-P-C4' energy: -99.136 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: 16.166 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: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2869.151569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.151569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.151569 (E_RNA) where: Base-Base interactions energy: -1977.641 where: short stacking energy: -833.284 Base-Backbone interact. energy: -5.359 local terms energy: -886.151089 where: bonds (distance) C4'-P energy: -169.481 bonds (distance) P-C4' energy: -157.748 flat angles C4'-P-C4' energy: -186.509 flat angles P-C4'-P energy: -124.580 tors. eta vs tors. theta energy: -247.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2771.637702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.637702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.637702 (E_RNA) where: Base-Base interactions energy: -1902.995 where: short stacking energy: -817.056 Base-Backbone interact. energy: -2.074 local terms energy: -866.568740 where: bonds (distance) C4'-P energy: -151.666 bonds (distance) P-C4' energy: -172.826 flat angles C4'-P-C4' energy: -197.067 flat angles P-C4'-P energy: -99.605 tors. eta vs tors. theta energy: -245.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2613.767523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.767523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.767523 (E_RNA) where: Base-Base interactions energy: -1797.996 where: short stacking energy: -758.398 Base-Backbone interact. energy: -0.807 local terms energy: -814.965285 where: bonds (distance) C4'-P energy: -158.233 bonds (distance) P-C4' energy: -151.612 flat angles C4'-P-C4' energy: -178.358 flat angles P-C4'-P energy: -98.740 tors. eta vs tors. theta energy: -228.023 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: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2453.605630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.605630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.605630 (E_RNA) where: Base-Base interactions energy: -1658.426 where: short stacking energy: -723.379 Base-Backbone interact. energy: -4.489 local terms energy: -790.690825 where: bonds (distance) C4'-P energy: -158.124 bonds (distance) P-C4' energy: -161.008 flat angles C4'-P-C4' energy: -168.340 flat angles P-C4'-P energy: -106.968 tors. eta vs tors. theta energy: -196.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2339.543686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.543686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.543686 (E_RNA) where: Base-Base interactions energy: -1623.948 where: short stacking energy: -625.700 Base-Backbone interact. energy: -4.654 local terms energy: -710.941393 where: bonds (distance) C4'-P energy: -148.980 bonds (distance) P-C4' energy: -145.782 flat angles C4'-P-C4' energy: -173.235 flat angles P-C4'-P energy: -84.530 tors. eta vs tors. theta energy: -158.415 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: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2079.929579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.929579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.929579 (E_RNA) where: Base-Base interactions energy: -1388.806 where: short stacking energy: -592.022 Base-Backbone interact. energy: -5.039 local terms energy: -686.084085 where: bonds (distance) C4'-P energy: -128.411 bonds (distance) P-C4' energy: -144.720 flat angles C4'-P-C4' energy: -162.562 flat angles P-C4'-P energy: -94.497 tors. eta vs tors. theta energy: -155.895 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: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1726.507310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.507310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.507310 (E_RNA) where: Base-Base interactions energy: -1058.979 where: short stacking energy: -481.561 Base-Backbone interact. energy: -2.964 local terms energy: -664.563976 where: bonds (distance) C4'-P energy: -148.850 bonds (distance) P-C4' energy: -149.251 flat angles C4'-P-C4' energy: -155.162 flat angles P-C4'-P energy: -89.010 tors. eta vs tors. theta energy: -122.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1608.406394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.406394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.406394 (E_RNA) where: Base-Base interactions energy: -1005.637 where: short stacking energy: -470.535 Base-Backbone interact. energy: 3.213 local terms energy: -605.982237 where: bonds (distance) C4'-P energy: -135.510 bonds (distance) P-C4' energy: -121.394 flat angles C4'-P-C4' energy: -150.962 flat angles P-C4'-P energy: -86.771 tors. eta vs tors. theta energy: -111.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -975.640917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.640917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.640917 (E_RNA) where: Base-Base interactions energy: -510.418 where: short stacking energy: -246.000 Base-Backbone interact. energy: -5.323 local terms energy: -459.900150 where: bonds (distance) C4'-P energy: -128.540 bonds (distance) P-C4' energy: -128.972 flat angles C4'-P-C4' energy: -122.727 flat angles P-C4'-P energy: -74.593 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -695.458964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.458964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.458964 (E_RNA) where: Base-Base interactions energy: -309.840 where: short stacking energy: -207.843 Base-Backbone interact. energy: 4.378 local terms energy: -389.996914 where: bonds (distance) C4'-P energy: -122.880 bonds (distance) P-C4' energy: -139.384 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -33.536 tors. eta vs tors. theta energy: 23.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2861.522991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.522991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.522991 (E_RNA) where: Base-Base interactions energy: -1970.094 where: short stacking energy: -849.230 Base-Backbone interact. energy: -2.604 local terms energy: -888.825304 where: bonds (distance) C4'-P energy: -175.958 bonds (distance) P-C4' energy: -167.706 flat angles C4'-P-C4' energy: -188.011 flat angles P-C4'-P energy: -102.473 tors. eta vs tors. theta energy: -254.677 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: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2808.913893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.913893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.913893 (E_RNA) where: Base-Base interactions energy: -1919.481 where: short stacking energy: -829.999 Base-Backbone interact. energy: 1.974 local terms energy: -891.407475 where: bonds (distance) C4'-P energy: -163.417 bonds (distance) P-C4' energy: -164.030 flat angles C4'-P-C4' energy: -179.964 flat angles P-C4'-P energy: -139.429 tors. eta vs tors. theta energy: -244.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2626.288954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.288954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.288954 (E_RNA) where: Base-Base interactions energy: -1814.639 where: short stacking energy: -752.278 Base-Backbone interact. energy: -3.376 local terms energy: -808.274153 where: bonds (distance) C4'-P energy: -149.112 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -171.161 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -219.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2410.628709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.628709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.628709 (E_RNA) where: Base-Base interactions energy: -1623.317 where: short stacking energy: -691.690 Base-Backbone interact. energy: -3.126 local terms energy: -784.184799 where: bonds (distance) C4'-P energy: -157.838 bonds (distance) P-C4' energy: -156.482 flat angles C4'-P-C4' energy: -166.928 flat angles P-C4'-P energy: -100.186 tors. eta vs tors. theta energy: -202.751 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2393.493423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.493423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.493423 (E_RNA) where: Base-Base interactions energy: -1642.387 where: short stacking energy: -675.137 Base-Backbone interact. energy: -0.960 local terms energy: -750.146441 where: bonds (distance) C4'-P energy: -142.238 bonds (distance) P-C4' energy: -147.600 flat angles C4'-P-C4' energy: -163.877 flat angles P-C4'-P energy: -116.286 tors. eta vs tors. theta energy: -180.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2008.743160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.743160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.743160 (E_RNA) where: Base-Base interactions energy: -1332.272 where: short stacking energy: -564.221 Base-Backbone interact. energy: 5.034 local terms energy: -681.505332 where: bonds (distance) C4'-P energy: -154.486 bonds (distance) P-C4' energy: -128.404 flat angles C4'-P-C4' energy: -169.189 flat angles P-C4'-P energy: -95.148 tors. eta vs tors. theta energy: -134.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1848.230008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.230008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.230008 (E_RNA) where: Base-Base interactions energy: -1164.565 where: short stacking energy: -548.151 Base-Backbone interact. energy: -3.731 local terms energy: -679.933662 where: bonds (distance) C4'-P energy: -150.393 bonds (distance) P-C4' energy: -129.992 flat angles C4'-P-C4' energy: -150.780 flat angles P-C4'-P energy: -103.163 tors. eta vs tors. theta energy: -145.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1633.260695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.260695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.260695 (E_RNA) where: Base-Base interactions energy: -1054.294 where: short stacking energy: -479.455 Base-Backbone interact. energy: 6.729 local terms energy: -585.695795 where: bonds (distance) C4'-P energy: -127.385 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -136.990 flat angles P-C4'-P energy: -74.558 tors. eta vs tors. theta energy: -110.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1033.205748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.205748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.205748 (E_RNA) where: Base-Base interactions energy: -563.890 where: short stacking energy: -295.005 Base-Backbone interact. energy: 0.368 local terms energy: -469.684536 where: bonds (distance) C4'-P energy: -134.825 bonds (distance) P-C4' energy: -139.004 flat angles C4'-P-C4' energy: -121.158 flat angles P-C4'-P energy: -51.905 tors. eta vs tors. theta energy: -22.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -709.703605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.703605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.703605 (E_RNA) where: Base-Base interactions energy: -324.793 where: short stacking energy: -190.961 Base-Backbone interact. energy: -2.069 local terms energy: -382.841672 where: bonds (distance) C4'-P energy: -143.506 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -91.156 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: 44.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2889.015561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.015561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.015561 (E_RNA) where: Base-Base interactions energy: -1987.161 where: short stacking energy: -822.340 Base-Backbone interact. energy: -5.183 local terms energy: -896.671353 where: bonds (distance) C4'-P energy: -171.776 bonds (distance) P-C4' energy: -168.417 flat angles C4'-P-C4' energy: -187.394 flat angles P-C4'-P energy: -128.050 tors. eta vs tors. theta energy: -241.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2831.815980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.815980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.815980 (E_RNA) where: Base-Base interactions energy: -1947.972 where: short stacking energy: -838.141 Base-Backbone interact. energy: -5.153 local terms energy: -878.690909 where: bonds (distance) C4'-P energy: -132.376 bonds (distance) P-C4' energy: -171.793 flat angles C4'-P-C4' energy: -192.010 flat angles P-C4'-P energy: -130.699 tors. eta vs tors. theta energy: -251.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2612.450465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.450465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.450465 (E_RNA) where: Base-Base interactions energy: -1808.280 where: short stacking energy: -739.739 Base-Backbone interact. energy: -8.574 local terms energy: -795.596683 where: bonds (distance) C4'-P energy: -142.846 bonds (distance) P-C4' energy: -149.226 flat angles C4'-P-C4' energy: -179.629 flat angles P-C4'-P energy: -107.160 tors. eta vs tors. theta energy: -216.737 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: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2406.103240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.103240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.103240 (E_RNA) where: Base-Base interactions energy: -1640.448 where: short stacking energy: -698.047 Base-Backbone interact. energy: 3.763 local terms energy: -769.417977 where: bonds (distance) C4'-P energy: -160.834 bonds (distance) P-C4' energy: -156.573 flat angles C4'-P-C4' energy: -170.675 flat angles P-C4'-P energy: -98.571 tors. eta vs tors. theta energy: -182.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2424.119824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.119824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.119824 (E_RNA) where: Base-Base interactions energy: -1694.183 where: short stacking energy: -689.588 Base-Backbone interact. energy: 0.194 local terms energy: -730.130724 where: bonds (distance) C4'-P energy: -134.511 bonds (distance) P-C4' energy: -140.228 flat angles C4'-P-C4' energy: -168.124 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -182.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1999.005066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.005066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.005066 (E_RNA) where: Base-Base interactions energy: -1357.068 where: short stacking energy: -575.094 Base-Backbone interact. energy: -0.390 local terms energy: -641.546608 where: bonds (distance) C4'-P energy: -129.677 bonds (distance) P-C4' energy: -134.856 flat angles C4'-P-C4' energy: -149.664 flat angles P-C4'-P energy: -105.283 tors. eta vs tors. theta energy: -122.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1771.902611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.902611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.902611 (E_RNA) where: Base-Base interactions energy: -1146.452 where: short stacking energy: -505.964 Base-Backbone interact. energy: -0.700 local terms energy: -624.750976 where: bonds (distance) C4'-P energy: -139.821 bonds (distance) P-C4' energy: -132.984 flat angles C4'-P-C4' energy: -152.869 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -120.148 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: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1672.248679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.248679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.248679 (E_RNA) where: Base-Base interactions energy: -1014.259 where: short stacking energy: -461.306 Base-Backbone interact. energy: -3.123 local terms energy: -654.866311 where: bonds (distance) C4'-P energy: -149.819 bonds (distance) P-C4' energy: -176.492 flat angles C4'-P-C4' energy: -141.855 flat angles P-C4'-P energy: -84.747 tors. eta vs tors. theta energy: -101.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1014.230916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.230916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.230916 (E_RNA) where: Base-Base interactions energy: -541.311 where: short stacking energy: -309.131 Base-Backbone interact. energy: 0.935 local terms energy: -473.854459 where: bonds (distance) C4'-P energy: -116.071 bonds (distance) P-C4' energy: -144.186 flat angles C4'-P-C4' energy: -114.483 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: -25.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -750.622635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.622635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.622635 (E_RNA) where: Base-Base interactions energy: -316.734 where: short stacking energy: -200.527 Base-Backbone interact. energy: -2.975 local terms energy: -430.913212 where: bonds (distance) C4'-P energy: -123.285 bonds (distance) P-C4' energy: -138.600 flat angles C4'-P-C4' energy: -122.150 flat angles P-C4'-P energy: -65.815 tors. eta vs tors. theta energy: 18.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2889.425785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.425785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.425785 (E_RNA) where: Base-Base interactions energy: -1951.957 where: short stacking energy: -857.616 Base-Backbone interact. energy: -4.201 local terms energy: -933.267802 where: bonds (distance) C4'-P energy: -182.567 bonds (distance) P-C4' energy: -167.795 flat angles C4'-P-C4' energy: -179.277 flat angles P-C4'-P energy: -136.734 tors. eta vs tors. theta energy: -266.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2767.455501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.455501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.455501 (E_RNA) where: Base-Base interactions energy: -1883.101 where: short stacking energy: -817.614 Base-Backbone interact. energy: -1.433 local terms energy: -882.921098 where: bonds (distance) C4'-P energy: -152.411 bonds (distance) P-C4' energy: -170.021 flat angles C4'-P-C4' energy: -186.709 flat angles P-C4'-P energy: -135.824 tors. eta vs tors. theta energy: -237.956 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: 226 Temperature: 1.000000 Total energy: -2595.645729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.645729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.645729 (E_RNA) where: Base-Base interactions energy: -1799.867 where: short stacking energy: -772.302 Base-Backbone interact. energy: -5.266 local terms energy: -790.512708 where: bonds (distance) C4'-P energy: -146.575 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -170.241 flat angles P-C4'-P energy: -106.242 tors. eta vs tors. theta energy: -213.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2387.523680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.523680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.523680 (E_RNA) where: Base-Base interactions energy: -1561.846 where: short stacking energy: -673.862 Base-Backbone interact. energy: -0.958 local terms energy: -824.719558 where: bonds (distance) C4'-P energy: -163.860 bonds (distance) P-C4' energy: -173.626 flat angles C4'-P-C4' energy: -175.586 flat angles P-C4'-P energy: -116.692 tors. eta vs tors. theta energy: -194.955 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: 226 Temperature: 1.100000 Total energy: -2389.972377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.972377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.972377 (E_RNA) where: Base-Base interactions energy: -1645.750 where: short stacking energy: -659.107 Base-Backbone interact. energy: 1.897 local terms energy: -746.118808 where: bonds (distance) C4'-P energy: -148.614 bonds (distance) P-C4' energy: -156.295 flat angles C4'-P-C4' energy: -176.353 flat angles P-C4'-P energy: -88.212 tors. eta vs tors. theta energy: -176.645 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: 226 Temperature: 1.150000 Total energy: -2010.544610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.544610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.544610 (E_RNA) where: Base-Base interactions energy: -1291.790 where: short stacking energy: -558.731 Base-Backbone interact. energy: 0.303 local terms energy: -719.057636 where: bonds (distance) C4'-P energy: -139.648 bonds (distance) P-C4' energy: -153.457 flat angles C4'-P-C4' energy: -175.057 flat angles P-C4'-P energy: -97.293 tors. eta vs tors. theta energy: -153.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1813.714968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.714968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.714968 (E_RNA) where: Base-Base interactions energy: -1154.275 where: short stacking energy: -525.126 Base-Backbone interact. energy: -2.005 local terms energy: -657.435320 where: bonds (distance) C4'-P energy: -119.172 bonds (distance) P-C4' energy: -142.701 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -80.476 tors. eta vs tors. theta energy: -163.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1626.016889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.016889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.016889 (E_RNA) where: Base-Base interactions energy: -1027.629 where: short stacking energy: -454.559 Base-Backbone interact. energy: 2.752 local terms energy: -601.139654 where: bonds (distance) C4'-P energy: -140.986 bonds (distance) P-C4' energy: -130.099 flat angles C4'-P-C4' energy: -149.147 flat angles P-C4'-P energy: -81.936 tors. eta vs tors. theta energy: -98.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1029.148439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.148439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.148439 (E_RNA) where: Base-Base interactions energy: -605.815 where: short stacking energy: -282.100 Base-Backbone interact. energy: 2.729 local terms energy: -426.062680 where: bonds (distance) C4'-P energy: -125.885 bonds (distance) P-C4' energy: -130.852 flat angles C4'-P-C4' energy: -115.688 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: 3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -739.111095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.111095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.111095 (E_RNA) where: Base-Base interactions energy: -322.012 where: short stacking energy: -213.037 Base-Backbone interact. energy: 0.405 local terms energy: -417.503494 where: bonds (distance) C4'-P energy: -124.650 bonds (distance) P-C4' energy: -124.524 flat angles C4'-P-C4' energy: -113.140 flat angles P-C4'-P energy: -72.971 tors. eta vs tors. theta energy: 17.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2895.222098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.222098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.222098 (E_RNA) where: Base-Base interactions energy: -1994.132 where: short stacking energy: -869.591 Base-Backbone interact. energy: -4.713 local terms energy: -896.376956 where: bonds (distance) C4'-P energy: -170.739 bonds (distance) P-C4' energy: -170.704 flat angles C4'-P-C4' energy: -179.319 flat angles P-C4'-P energy: -121.551 tors. eta vs tors. theta energy: -254.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2748.904342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.904342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.904342 (E_RNA) where: Base-Base interactions energy: -1893.844 where: short stacking energy: -771.082 Base-Backbone interact. energy: -4.324 local terms energy: -850.736666 where: bonds (distance) C4'-P energy: -153.458 bonds (distance) P-C4' energy: -163.790 flat angles C4'-P-C4' energy: -176.737 flat angles P-C4'-P energy: -121.715 tors. eta vs tors. theta energy: -235.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2637.606444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.606444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.606444 (E_RNA) where: Base-Base interactions energy: -1840.181 where: short stacking energy: -756.712 Base-Backbone interact. energy: 0.547 local terms energy: -797.972427 where: bonds (distance) C4'-P energy: -155.085 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -173.731 flat angles P-C4'-P energy: -101.161 tors. eta vs tors. theta energy: -217.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2402.396631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.396631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.396631 (E_RNA) where: Base-Base interactions energy: -1577.452 where: short stacking energy: -688.421 Base-Backbone interact. energy: -3.848 local terms energy: -821.096543 where: bonds (distance) C4'-P energy: -165.264 bonds (distance) P-C4' energy: -148.608 flat angles C4'-P-C4' energy: -194.177 flat angles P-C4'-P energy: -116.446 tors. eta vs tors. theta energy: -196.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2432.402920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.402920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.402920 (E_RNA) where: Base-Base interactions energy: -1684.994 where: short stacking energy: -702.405 Base-Backbone interact. energy: 0.255 local terms energy: -747.663377 where: bonds (distance) C4'-P energy: -136.762 bonds (distance) P-C4' energy: -162.672 flat angles C4'-P-C4' energy: -158.676 flat angles P-C4'-P energy: -97.622 tors. eta vs tors. theta energy: -191.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2022.417998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.417998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.417998 (E_RNA) where: Base-Base interactions energy: -1343.943 where: short stacking energy: -570.118 Base-Backbone interact. energy: -2.068 local terms energy: -676.407699 where: bonds (distance) C4'-P energy: -128.198 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -143.447 flat angles P-C4'-P energy: -106.763 tors. eta vs tors. theta energy: -145.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1793.872714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.872714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.872714 (E_RNA) where: Base-Base interactions energy: -1166.225 where: short stacking energy: -550.988 Base-Backbone interact. energy: 7.577 local terms energy: -635.224810 where: bonds (distance) C4'-P energy: -138.180 bonds (distance) P-C4' energy: -136.394 flat angles C4'-P-C4' energy: -141.004 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -124.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1626.570342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.570342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.570342 (E_RNA) where: Base-Base interactions energy: -1052.535 where: short stacking energy: -462.462 Base-Backbone interact. energy: 1.160 local terms energy: -575.194990 where: bonds (distance) C4'-P energy: -119.973 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -136.270 flat angles P-C4'-P energy: -88.397 tors. eta vs tors. theta energy: -98.410 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: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1079.813051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.813051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.813051 (E_RNA) where: Base-Base interactions energy: -624.520 where: short stacking energy: -318.671 Base-Backbone interact. energy: -1.490 local terms energy: -453.802205 where: bonds (distance) C4'-P energy: -130.801 bonds (distance) P-C4' energy: -149.213 flat angles C4'-P-C4' energy: -102.354 flat angles P-C4'-P energy: -61.007 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: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -754.273641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.273641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.273641 (E_RNA) where: Base-Base interactions energy: -335.944 where: short stacking energy: -213.553 Base-Backbone interact. energy: 8.839 local terms energy: -427.168981 where: bonds (distance) C4'-P energy: -117.015 bonds (distance) P-C4' energy: -143.492 flat angles C4'-P-C4' energy: -119.371 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: 26.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2915.737494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.737494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.737494 (E_RNA) where: Base-Base interactions energy: -2002.191 where: short stacking energy: -879.772 Base-Backbone interact. energy: -4.693 local terms energy: -908.852991 where: bonds (distance) C4'-P energy: -151.269 bonds (distance) P-C4' energy: -165.436 flat angles C4'-P-C4' energy: -197.141 flat angles P-C4'-P energy: -132.769 tors. eta vs tors. theta energy: -262.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2782.826858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.826858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.826858 (E_RNA) where: Base-Base interactions energy: -1920.245 where: short stacking energy: -799.335 Base-Backbone interact. energy: -1.519 local terms energy: -861.062689 where: bonds (distance) C4'-P energy: -146.114 bonds (distance) P-C4' energy: -159.266 flat angles C4'-P-C4' energy: -189.781 flat angles P-C4'-P energy: -136.270 tors. eta vs tors. theta energy: -229.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2606.261393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.261393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.261393 (E_RNA) where: Base-Base interactions energy: -1777.069 where: short stacking energy: -787.642 Base-Backbone interact. energy: -6.163 local terms energy: -823.030030 where: bonds (distance) C4'-P energy: -155.243 bonds (distance) P-C4' energy: -157.692 flat angles C4'-P-C4' energy: -169.999 flat angles P-C4'-P energy: -116.171 tors. eta vs tors. theta energy: -223.925 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: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2379.754932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.754932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.754932 (E_RNA) where: Base-Base interactions energy: -1583.110 where: short stacking energy: -668.922 Base-Backbone interact. energy: 6.115 local terms energy: -802.760043 where: bonds (distance) C4'-P energy: -143.491 bonds (distance) P-C4' energy: -157.494 flat angles C4'-P-C4' energy: -176.525 flat angles P-C4'-P energy: -123.023 tors. eta vs tors. theta energy: -202.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2368.032015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.032015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.032015 (E_RNA) where: Base-Base interactions energy: -1620.186 where: short stacking energy: -655.030 Base-Backbone interact. energy: -0.684 local terms energy: -747.162015 where: bonds (distance) C4'-P energy: -154.207 bonds (distance) P-C4' energy: -155.853 flat angles C4'-P-C4' energy: -165.730 flat angles P-C4'-P energy: -91.812 tors. eta vs tors. theta energy: -179.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2060.507410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.507410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.507410 (E_RNA) where: Base-Base interactions energy: -1349.904 where: short stacking energy: -598.762 Base-Backbone interact. energy: -1.108 local terms energy: -709.495102 where: bonds (distance) C4'-P energy: -151.772 bonds (distance) P-C4' energy: -140.329 flat angles C4'-P-C4' energy: -159.829 flat angles P-C4'-P energy: -90.996 tors. eta vs tors. theta energy: -166.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1762.896356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.896356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.896356 (E_RNA) where: Base-Base interactions energy: -1126.408 where: short stacking energy: -516.716 Base-Backbone interact. energy: -1.118 local terms energy: -635.370659 where: bonds (distance) C4'-P energy: -140.209 bonds (distance) P-C4' energy: -134.945 flat angles C4'-P-C4' energy: -155.631 flat angles P-C4'-P energy: -88.509 tors. eta vs tors. theta energy: -116.076 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: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1576.108601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.108601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.108601 (E_RNA) where: Base-Base interactions energy: -987.739 where: short stacking energy: -459.669 Base-Backbone interact. energy: 2.468 local terms energy: -590.837403 where: bonds (distance) C4'-P energy: -141.234 bonds (distance) P-C4' energy: -146.784 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -82.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -989.155423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.155423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.155423 (E_RNA) where: Base-Base interactions energy: -481.570 where: short stacking energy: -253.351 Base-Backbone interact. energy: 0.695 local terms energy: -508.280715 where: bonds (distance) C4'-P energy: -136.333 bonds (distance) P-C4' energy: -155.587 flat angles C4'-P-C4' energy: -131.695 flat angles P-C4'-P energy: -76.475 tors. eta vs tors. theta energy: -8.191 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -794.193335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.193335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.193335 (E_RNA) where: Base-Base interactions energy: -382.525 where: short stacking energy: -200.473 Base-Backbone interact. energy: -4.505 local terms energy: -407.163440 where: bonds (distance) C4'-P energy: -115.776 bonds (distance) P-C4' energy: -131.239 flat angles C4'-P-C4' energy: -105.301 flat angles P-C4'-P energy: -63.048 tors. eta vs tors. theta energy: 8.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2879.758730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.758730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.758730 (E_RNA) where: Base-Base interactions energy: -1961.725 where: short stacking energy: -864.797 Base-Backbone interact. energy: -2.095 local terms energy: -915.938770 where: bonds (distance) C4'-P energy: -168.576 bonds (distance) P-C4' energy: -165.919 flat angles C4'-P-C4' energy: -196.434 flat angles P-C4'-P energy: -126.166 tors. eta vs tors. theta energy: -258.844 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: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2775.766564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.766564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.766564 (E_RNA) where: Base-Base interactions energy: -1925.353 where: short stacking energy: -808.050 Base-Backbone interact. energy: -0.825 local terms energy: -849.589056 where: bonds (distance) C4'-P energy: -149.105 bonds (distance) P-C4' energy: -163.551 flat angles C4'-P-C4' energy: -184.358 flat angles P-C4'-P energy: -120.959 tors. eta vs tors. theta energy: -231.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2586.901704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.901704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.901704 (E_RNA) where: Base-Base interactions energy: -1753.600 where: short stacking energy: -726.069 Base-Backbone interact. energy: -5.758 local terms energy: -827.543209 where: bonds (distance) C4'-P energy: -151.646 bonds (distance) P-C4' energy: -156.493 flat angles C4'-P-C4' energy: -178.030 flat angles P-C4'-P energy: -119.596 tors. eta vs tors. theta energy: -221.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2422.353727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.353727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.353727 (E_RNA) where: Base-Base interactions energy: -1650.673 where: short stacking energy: -683.580 Base-Backbone interact. energy: -5.696 local terms energy: -765.985276 where: bonds (distance) C4'-P energy: -148.836 bonds (distance) P-C4' energy: -160.501 flat angles C4'-P-C4' energy: -181.138 flat angles P-C4'-P energy: -104.472 tors. eta vs tors. theta energy: -171.039 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: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2313.686422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.686422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.686422 (E_RNA) where: Base-Base interactions energy: -1566.243 where: short stacking energy: -680.976 Base-Backbone interact. energy: -0.466 local terms energy: -746.978299 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -154.857 flat angles C4'-P-C4' energy: -171.266 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -185.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2090.571097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.571097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.571097 (E_RNA) where: Base-Base interactions energy: -1369.359 where: short stacking energy: -613.342 Base-Backbone interact. energy: -1.458 local terms energy: -719.753320 where: bonds (distance) C4'-P energy: -142.462 bonds (distance) P-C4' energy: -140.948 flat angles C4'-P-C4' energy: -151.158 flat angles P-C4'-P energy: -111.278 tors. eta vs tors. theta energy: -173.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1698.103956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.103956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.103956 (E_RNA) where: Base-Base interactions energy: -1061.612 where: short stacking energy: -507.817 Base-Backbone interact. energy: 1.586 local terms energy: -638.077138 where: bonds (distance) C4'-P energy: -120.625 bonds (distance) P-C4' energy: -161.241 flat angles C4'-P-C4' energy: -138.741 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -124.296 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: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1636.611449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.611449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.611449 (E_RNA) where: Base-Base interactions energy: -1027.576 where: short stacking energy: -476.527 Base-Backbone interact. energy: 2.479 local terms energy: -611.514273 where: bonds (distance) C4'-P energy: -146.412 bonds (distance) P-C4' energy: -148.357 flat angles C4'-P-C4' energy: -141.591 flat angles P-C4'-P energy: -84.940 tors. eta vs tors. theta energy: -90.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -982.518195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.518195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.518195 (E_RNA) where: Base-Base interactions energy: -489.379 where: short stacking energy: -271.455 Base-Backbone interact. energy: -1.837 local terms energy: -491.301536 where: bonds (distance) C4'-P energy: -135.772 bonds (distance) P-C4' energy: -139.400 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: -14.640 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: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -796.231241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.231241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.231241 (E_RNA) where: Base-Base interactions energy: -351.037 where: short stacking energy: -216.413 Base-Backbone interact. energy: 1.213 local terms energy: -446.406968 where: bonds (distance) C4'-P energy: -120.308 bonds (distance) P-C4' energy: -156.082 flat angles C4'-P-C4' energy: -120.555 flat angles P-C4'-P energy: -65.747 tors. eta vs tors. theta energy: 16.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2884.115131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.115131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.115131 (E_RNA) where: Base-Base interactions energy: -1945.318 where: short stacking energy: -860.031 Base-Backbone interact. energy: -5.384 local terms energy: -933.412252 where: bonds (distance) C4'-P energy: -166.545 bonds (distance) P-C4' energy: -181.266 flat angles C4'-P-C4' energy: -204.460 flat angles P-C4'-P energy: -112.648 tors. eta vs tors. theta energy: -268.494 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: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2786.294117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.294117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.294117 (E_RNA) where: Base-Base interactions energy: -1942.604 where: short stacking energy: -825.800 Base-Backbone interact. energy: 1.204 local terms energy: -844.893860 where: bonds (distance) C4'-P energy: -146.482 bonds (distance) P-C4' energy: -149.365 flat angles C4'-P-C4' energy: -190.174 flat angles P-C4'-P energy: -120.232 tors. eta vs tors. theta energy: -238.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2578.613891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.613891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.613891 (E_RNA) where: Base-Base interactions energy: -1749.316 where: short stacking energy: -733.725 Base-Backbone interact. energy: -5.732 local terms energy: -823.566705 where: bonds (distance) C4'-P energy: -149.994 bonds (distance) P-C4' energy: -165.493 flat angles C4'-P-C4' energy: -185.683 flat angles P-C4'-P energy: -111.947 tors. eta vs tors. theta energy: -210.450 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: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2436.011528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.011528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.011528 (E_RNA) where: Base-Base interactions energy: -1683.424 where: short stacking energy: -684.301 Base-Backbone interact. energy: -0.997 local terms energy: -751.590924 where: bonds (distance) C4'-P energy: -143.459 bonds (distance) P-C4' energy: -160.675 flat angles C4'-P-C4' energy: -155.494 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -183.405 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: 5, replica: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2369.131084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.131084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.131084 (E_RNA) where: Base-Base interactions energy: -1589.411 where: short stacking energy: -686.370 Base-Backbone interact. energy: -0.909 local terms energy: -778.810656 where: bonds (distance) C4'-P energy: -152.586 bonds (distance) P-C4' energy: -155.406 flat angles C4'-P-C4' energy: -176.679 flat angles P-C4'-P energy: -105.409 tors. eta vs tors. theta energy: -188.731 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: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2063.241606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.241606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.241606 (E_RNA) where: Base-Base interactions energy: -1370.033 where: short stacking energy: -574.121 Base-Backbone interact. energy: 0.374 local terms energy: -693.582502 where: bonds (distance) C4'-P energy: -143.799 bonds (distance) P-C4' energy: -143.317 flat angles C4'-P-C4' energy: -159.444 flat angles P-C4'-P energy: -100.406 tors. eta vs tors. theta energy: -146.617 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: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1746.577166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.577166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.577166 (E_RNA) where: Base-Base interactions energy: -1092.260 where: short stacking energy: -514.326 Base-Backbone interact. energy: -0.104 local terms energy: -654.213300 where: bonds (distance) C4'-P energy: -132.755 bonds (distance) P-C4' energy: -179.149 flat angles C4'-P-C4' energy: -126.185 flat angles P-C4'-P energy: -94.142 tors. eta vs tors. theta energy: -121.983 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: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1557.595218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.595218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.595218 (E_RNA) where: Base-Base interactions energy: -1011.590 where: short stacking energy: -442.540 Base-Backbone interact. energy: -4.046 local terms energy: -541.959704 where: bonds (distance) C4'-P energy: -130.963 bonds (distance) P-C4' energy: -145.244 flat angles C4'-P-C4' energy: -134.791 flat angles P-C4'-P energy: -71.317 tors. eta vs tors. theta energy: -59.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -969.166309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.166309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.166309 (E_RNA) where: Base-Base interactions energy: -498.647 where: short stacking energy: -251.912 Base-Backbone interact. energy: 2.052 local terms energy: -472.571804 where: bonds (distance) C4'-P energy: -134.996 bonds (distance) P-C4' energy: -150.577 flat angles C4'-P-C4' energy: -119.291 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -13.724 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: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -722.253340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.253340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.253340 (E_RNA) where: Base-Base interactions energy: -329.403 where: short stacking energy: -210.225 Base-Backbone interact. energy: 0.091 local terms energy: -392.941548 where: bonds (distance) C4'-P energy: -122.389 bonds (distance) P-C4' energy: -129.661 flat angles C4'-P-C4' energy: -125.349 flat angles P-C4'-P energy: -59.192 tors. eta vs tors. theta energy: 43.649 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: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2892.348793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.348793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.348793 (E_RNA) where: Base-Base interactions energy: -1966.314 where: short stacking energy: -822.032 Base-Backbone interact. energy: -3.912 local terms energy: -922.122733 where: bonds (distance) C4'-P energy: -178.610 bonds (distance) P-C4' energy: -172.896 flat angles C4'-P-C4' energy: -184.572 flat angles P-C4'-P energy: -132.667 tors. eta vs tors. theta energy: -253.378 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: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2768.737631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.737631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.737631 (E_RNA) where: Base-Base interactions energy: -1920.147 where: short stacking energy: -783.465 Base-Backbone interact. energy: -1.196 local terms energy: -847.394547 where: bonds (distance) C4'-P energy: -144.437 bonds (distance) P-C4' energy: -171.361 flat angles C4'-P-C4' energy: -183.939 flat angles P-C4'-P energy: -120.767 tors. eta vs tors. theta energy: -226.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2567.739489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.739489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.739489 (E_RNA) where: Base-Base interactions energy: -1770.701 where: short stacking energy: -736.578 Base-Backbone interact. energy: -3.798 local terms energy: -793.240750 where: bonds (distance) C4'-P energy: -145.129 bonds (distance) P-C4' energy: -145.742 flat angles C4'-P-C4' energy: -183.769 flat angles P-C4'-P energy: -110.719 tors. eta vs tors. theta energy: -207.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2460.859233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.859233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.859233 (E_RNA) where: Base-Base interactions energy: -1691.662 where: short stacking energy: -695.578 Base-Backbone interact. energy: 2.613 local terms energy: -771.810169 where: bonds (distance) C4'-P energy: -151.357 bonds (distance) P-C4' energy: -153.055 flat angles C4'-P-C4' energy: -174.397 flat angles P-C4'-P energy: -109.823 tors. eta vs tors. theta energy: -183.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2324.332083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.332083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.332083 (E_RNA) where: Base-Base interactions energy: -1617.901 where: short stacking energy: -684.074 Base-Backbone interact. energy: -3.939 local terms energy: -702.491918 where: bonds (distance) C4'-P energy: -154.058 bonds (distance) P-C4' energy: -110.946 flat angles C4'-P-C4' energy: -161.433 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -171.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2114.503285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.503285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.503285 (E_RNA) where: Base-Base interactions energy: -1424.827 where: short stacking energy: -620.783 Base-Backbone interact. energy: -3.128 local terms energy: -686.548724 where: bonds (distance) C4'-P energy: -126.267 bonds (distance) P-C4' energy: -151.028 flat angles C4'-P-C4' energy: -143.567 flat angles P-C4'-P energy: -104.192 tors. eta vs tors. theta energy: -161.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1759.781509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.781509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.781509 (E_RNA) where: Base-Base interactions energy: -1124.686 where: short stacking energy: -522.173 Base-Backbone interact. energy: 0.565 local terms energy: -635.660640 where: bonds (distance) C4'-P energy: -136.914 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -147.790 flat angles P-C4'-P energy: -84.677 tors. eta vs tors. theta energy: -115.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1522.038616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.038616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.038616 (E_RNA) where: Base-Base interactions energy: -939.344 where: short stacking energy: -445.226 Base-Backbone interact. energy: 2.191 local terms energy: -584.885919 where: bonds (distance) C4'-P energy: -134.979 bonds (distance) P-C4' energy: -137.263 flat angles C4'-P-C4' energy: -150.860 flat angles P-C4'-P energy: -76.476 tors. eta vs tors. theta energy: -85.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -968.788980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.788980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.788980 (E_RNA) where: Base-Base interactions energy: -516.182 where: short stacking energy: -256.934 Base-Backbone interact. energy: 4.101 local terms energy: -456.707959 where: bonds (distance) C4'-P energy: -124.979 bonds (distance) P-C4' energy: -148.169 flat angles C4'-P-C4' energy: -130.032 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -766.054351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.054351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.054351 (E_RNA) where: Base-Base interactions energy: -324.984 where: short stacking energy: -206.187 Base-Backbone interact. energy: -2.217 local terms energy: -438.853879 where: bonds (distance) C4'-P energy: -130.746 bonds (distance) P-C4' energy: -131.701 flat angles C4'-P-C4' energy: -128.822 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: 13.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2926.801530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.801530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.801530 (E_RNA) where: Base-Base interactions energy: -2017.130 where: short stacking energy: -881.148 Base-Backbone interact. energy: -4.605 local terms energy: -905.066121 where: bonds (distance) C4'-P energy: -182.085 bonds (distance) P-C4' energy: -154.038 flat angles C4'-P-C4' energy: -198.814 flat angles P-C4'-P energy: -108.937 tors. eta vs tors. theta energy: -261.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2785.139163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.139163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.139163 (E_RNA) where: Base-Base interactions energy: -1888.905 where: short stacking energy: -820.321 Base-Backbone interact. energy: -4.462 local terms energy: -891.772216 where: bonds (distance) C4'-P energy: -166.831 bonds (distance) P-C4' energy: -176.245 flat angles C4'-P-C4' energy: -179.926 flat angles P-C4'-P energy: -117.676 tors. eta vs tors. theta energy: -251.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2635.863413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.863413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.863413 (E_RNA) where: Base-Base interactions energy: -1804.973 where: short stacking energy: -759.333 Base-Backbone interact. energy: -4.826 local terms energy: -826.064332 where: bonds (distance) C4'-P energy: -139.446 bonds (distance) P-C4' energy: -161.302 flat angles C4'-P-C4' energy: -189.432 flat angles P-C4'-P energy: -112.567 tors. eta vs tors. theta energy: -223.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2438.762832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.762832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.762832 (E_RNA) where: Base-Base interactions energy: -1688.246 where: short stacking energy: -685.965 Base-Backbone interact. energy: -4.616 local terms energy: -745.901363 where: bonds (distance) C4'-P energy: -147.055 bonds (distance) P-C4' energy: -142.742 flat angles C4'-P-C4' energy: -166.864 flat angles P-C4'-P energy: -112.515 tors. eta vs tors. theta energy: -176.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2389.745717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.745717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.745717 (E_RNA) where: Base-Base interactions energy: -1589.542 where: short stacking energy: -698.783 Base-Backbone interact. energy: -0.505 local terms energy: -799.698826 where: bonds (distance) C4'-P energy: -154.725 bonds (distance) P-C4' energy: -141.876 flat angles C4'-P-C4' energy: -180.246 flat angles P-C4'-P energy: -113.205 tors. eta vs tors. theta energy: -209.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2054.633478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.633478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.633478 (E_RNA) where: Base-Base interactions energy: -1376.534 where: short stacking energy: -619.184 Base-Backbone interact. energy: 1.138 local terms energy: -679.236632 where: bonds (distance) C4'-P energy: -122.105 bonds (distance) P-C4' energy: -151.734 flat angles C4'-P-C4' energy: -157.514 flat angles P-C4'-P energy: -88.400 tors. eta vs tors. theta energy: -159.483 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: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1828.589309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.589309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.589309 (E_RNA) where: Base-Base interactions energy: -1217.533 where: short stacking energy: -530.404 Base-Backbone interact. energy: -3.011 local terms energy: -608.044829 where: bonds (distance) C4'-P energy: -133.004 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -130.449 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -105.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1473.107563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.107563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.107563 (E_RNA) where: Base-Base interactions energy: -901.462 where: short stacking energy: -414.119 Base-Backbone interact. energy: -4.473 local terms energy: -567.172301 where: bonds (distance) C4'-P energy: -132.290 bonds (distance) P-C4' energy: -138.785 flat angles C4'-P-C4' energy: -139.895 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -75.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -939.331955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.331955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.331955 (E_RNA) where: Base-Base interactions energy: -489.625 where: short stacking energy: -282.699 Base-Backbone interact. energy: 4.112 local terms energy: -453.818966 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -128.930 flat angles C4'-P-C4' energy: -111.223 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -14.850 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: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -781.990343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.990343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.990343 (E_RNA) where: Base-Base interactions energy: -353.229 where: short stacking energy: -200.274 Base-Backbone interact. energy: -1.793 local terms energy: -426.967995 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -135.749 flat angles C4'-P-C4' energy: -112.424 flat angles P-C4'-P energy: -76.332 tors. eta vs tors. theta energy: 15.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2874.282278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.282278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.282278 (E_RNA) where: Base-Base interactions energy: -1934.058 where: short stacking energy: -851.602 Base-Backbone interact. energy: -3.139 local terms energy: -937.084387 where: bonds (distance) C4'-P energy: -172.161 bonds (distance) P-C4' energy: -165.636 flat angles C4'-P-C4' energy: -200.805 flat angles P-C4'-P energy: -132.550 tors. eta vs tors. theta energy: -265.932 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: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2777.265172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.265172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.265172 (E_RNA) where: Base-Base interactions energy: -1919.440 where: short stacking energy: -821.703 Base-Backbone interact. energy: -5.549 local terms energy: -852.276692 where: bonds (distance) C4'-P energy: -156.698 bonds (distance) P-C4' energy: -146.786 flat angles C4'-P-C4' energy: -183.546 flat angles P-C4'-P energy: -121.682 tors. eta vs tors. theta energy: -243.565 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: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2604.104368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.104368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.104368 (E_RNA) where: Base-Base interactions energy: -1772.816 where: short stacking energy: -744.063 Base-Backbone interact. energy: -5.255 local terms energy: -826.033837 where: bonds (distance) C4'-P energy: -163.842 bonds (distance) P-C4' energy: -157.211 flat angles C4'-P-C4' energy: -178.037 flat angles P-C4'-P energy: -123.197 tors. eta vs tors. theta energy: -203.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2413.151651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.151651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.151651 (E_RNA) where: Base-Base interactions energy: -1623.162 where: short stacking energy: -711.170 Base-Backbone interact. energy: 7.274 local terms energy: -797.263153 where: bonds (distance) C4'-P energy: -156.668 bonds (distance) P-C4' energy: -154.275 flat angles C4'-P-C4' energy: -177.844 flat angles P-C4'-P energy: -98.567 tors. eta vs tors. theta energy: -209.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2361.161081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.161081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.161081 (E_RNA) where: Base-Base interactions energy: -1602.721 where: short stacking energy: -652.912 Base-Backbone interact. energy: -2.307 local terms energy: -756.133378 where: bonds (distance) C4'-P energy: -147.784 bonds (distance) P-C4' energy: -157.444 flat angles C4'-P-C4' energy: -165.397 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -183.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2027.564764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.564764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.564764 (E_RNA) where: Base-Base interactions energy: -1344.509 where: short stacking energy: -561.270 Base-Backbone interact. energy: 1.170 local terms energy: -684.224905 where: bonds (distance) C4'-P energy: -153.307 bonds (distance) P-C4' energy: -140.906 flat angles C4'-P-C4' energy: -159.971 flat angles P-C4'-P energy: -68.930 tors. eta vs tors. theta energy: -161.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1795.194558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.194558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.194558 (E_RNA) where: Base-Base interactions energy: -1161.545 where: short stacking energy: -523.347 Base-Backbone interact. energy: -0.567 local terms energy: -633.082292 where: bonds (distance) C4'-P energy: -135.563 bonds (distance) P-C4' energy: -125.425 flat angles C4'-P-C4' energy: -156.775 flat angles P-C4'-P energy: -80.459 tors. eta vs tors. theta energy: -134.861 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: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1575.282974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.282974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.282974 (E_RNA) where: Base-Base interactions energy: -998.477 where: short stacking energy: -426.743 Base-Backbone interact. energy: -1.563 local terms energy: -575.243158 where: bonds (distance) C4'-P energy: -128.882 bonds (distance) P-C4' energy: -137.881 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -92.444 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: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -939.905466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.905466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.905466 (E_RNA) where: Base-Base interactions energy: -476.960 where: short stacking energy: -264.366 Base-Backbone interact. energy: -0.942 local terms energy: -462.003161 where: bonds (distance) C4'-P energy: -144.542 bonds (distance) P-C4' energy: -137.102 flat angles C4'-P-C4' energy: -121.336 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: 5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -728.115173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.115173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.115173 (E_RNA) where: Base-Base interactions energy: -298.150 where: short stacking energy: -202.996 Base-Backbone interact. energy: 0.215 local terms energy: -430.179982 where: bonds (distance) C4'-P energy: -122.968 bonds (distance) P-C4' energy: -140.274 flat angles C4'-P-C4' energy: -95.610 flat angles P-C4'-P energy: -76.379 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: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2892.351281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.351281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.351281 (E_RNA) where: Base-Base interactions energy: -1999.131 where: short stacking energy: -864.832 Base-Backbone interact. energy: -3.976 local terms energy: -889.244857 where: bonds (distance) C4'-P energy: -165.003 bonds (distance) P-C4' energy: -158.891 flat angles C4'-P-C4' energy: -186.850 flat angles P-C4'-P energy: -112.602 tors. eta vs tors. theta energy: -265.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2773.168537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.168537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.168537 (E_RNA) where: Base-Base interactions energy: -1893.420 where: short stacking energy: -799.555 Base-Backbone interact. energy: 1.112 local terms energy: -880.860158 where: bonds (distance) C4'-P energy: -147.739 bonds (distance) P-C4' energy: -186.120 flat angles C4'-P-C4' energy: -195.138 flat angles P-C4'-P energy: -123.135 tors. eta vs tors. theta energy: -228.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2592.021566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.021566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.021566 (E_RNA) where: Base-Base interactions energy: -1780.990 where: short stacking energy: -760.513 Base-Backbone interact. energy: -1.364 local terms energy: -809.667695 where: bonds (distance) C4'-P energy: -157.599 bonds (distance) P-C4' energy: -143.862 flat angles C4'-P-C4' energy: -183.687 flat angles P-C4'-P energy: -105.316 tors. eta vs tors. theta energy: -219.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2425.916078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.916078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.916078 (E_RNA) where: Base-Base interactions energy: -1641.279 where: short stacking energy: -694.831 Base-Backbone interact. energy: 0.533 local terms energy: -785.169937 where: bonds (distance) C4'-P energy: -144.102 bonds (distance) P-C4' energy: -167.621 flat angles C4'-P-C4' energy: -176.592 flat angles P-C4'-P energy: -109.629 tors. eta vs tors. theta energy: -187.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2342.702025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.702025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.702025 (E_RNA) where: Base-Base interactions energy: -1617.574 where: short stacking energy: -657.740 Base-Backbone interact. energy: -1.361 local terms energy: -723.766675 where: bonds (distance) C4'-P energy: -133.741 bonds (distance) P-C4' energy: -149.566 flat angles C4'-P-C4' energy: -164.428 flat angles P-C4'-P energy: -106.793 tors. eta vs tors. theta energy: -169.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2072.023841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.023841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.023841 (E_RNA) where: Base-Base interactions energy: -1374.781 where: short stacking energy: -596.479 Base-Backbone interact. energy: -0.891 local terms energy: -696.351225 where: bonds (distance) C4'-P energy: -144.250 bonds (distance) P-C4' energy: -129.041 flat angles C4'-P-C4' energy: -162.308 flat angles P-C4'-P energy: -86.268 tors. eta vs tors. theta energy: -174.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1861.666650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.666650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.666650 (E_RNA) where: Base-Base interactions energy: -1165.961 where: short stacking energy: -530.135 Base-Backbone interact. energy: -1.960 local terms energy: -693.745072 where: bonds (distance) C4'-P energy: -128.617 bonds (distance) P-C4' energy: -140.421 flat angles C4'-P-C4' energy: -157.801 flat angles P-C4'-P energy: -123.979 tors. eta vs tors. theta energy: -142.926 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: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1704.664460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.664460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.664460 (E_RNA) where: Base-Base interactions energy: -1097.894 where: short stacking energy: -488.384 Base-Backbone interact. energy: -3.653 local terms energy: -603.117907 where: bonds (distance) C4'-P energy: -107.317 bonds (distance) P-C4' energy: -157.269 flat angles C4'-P-C4' energy: -145.835 flat angles P-C4'-P energy: -95.228 tors. eta vs tors. theta energy: -97.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -989.371824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.371824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.371824 (E_RNA) where: Base-Base interactions energy: -542.143 where: short stacking energy: -299.410 Base-Backbone interact. energy: 1.647 local terms energy: -448.875663 where: bonds (distance) C4'-P energy: -117.502 bonds (distance) P-C4' energy: -143.038 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -70.470 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: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -693.162847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.162847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.162847 (E_RNA) where: Base-Base interactions energy: -243.664 where: short stacking energy: -149.078 Base-Backbone interact. energy: 0.783 local terms energy: -450.281610 where: bonds (distance) C4'-P energy: -134.674 bonds (distance) P-C4' energy: -159.061 flat angles C4'-P-C4' energy: -115.933 flat angles P-C4'-P energy: -72.211 tors. eta vs tors. theta energy: 31.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2921.807364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.807364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.807364 (E_RNA) where: Base-Base interactions energy: -2001.628 where: short stacking energy: -888.679 Base-Backbone interact. energy: -5.931 local terms energy: -914.248303 where: bonds (distance) C4'-P energy: -149.160 bonds (distance) P-C4' energy: -171.809 flat angles C4'-P-C4' energy: -185.136 flat angles P-C4'-P energy: -134.639 tors. eta vs tors. theta energy: -273.504 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: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2774.449765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.449765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.449765 (E_RNA) where: Base-Base interactions energy: -1902.729 where: short stacking energy: -789.777 Base-Backbone interact. energy: -2.313 local terms energy: -869.407115 where: bonds (distance) C4'-P energy: -153.077 bonds (distance) P-C4' energy: -169.965 flat angles C4'-P-C4' energy: -187.241 flat angles P-C4'-P energy: -123.890 tors. eta vs tors. theta energy: -235.235 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: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2604.045314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.045314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.045314 (E_RNA) where: Base-Base interactions energy: -1784.600 where: short stacking energy: -750.288 Base-Backbone interact. energy: -2.857 local terms energy: -816.588382 where: bonds (distance) C4'-P energy: -152.868 bonds (distance) P-C4' energy: -138.065 flat angles C4'-P-C4' energy: -172.406 flat angles P-C4'-P energy: -131.231 tors. eta vs tors. theta energy: -222.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2393.333773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.333773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.333773 (E_RNA) where: Base-Base interactions energy: -1606.818 where: short stacking energy: -706.509 Base-Backbone interact. energy: -1.755 local terms energy: -784.760369 where: bonds (distance) C4'-P energy: -161.931 bonds (distance) P-C4' energy: -154.448 flat angles C4'-P-C4' energy: -168.447 flat angles P-C4'-P energy: -110.036 tors. eta vs tors. theta energy: -189.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2345.438949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.438949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.438949 (E_RNA) where: Base-Base interactions energy: -1620.957 where: short stacking energy: -659.951 Base-Backbone interact. energy: -2.166 local terms energy: -722.315850 where: bonds (distance) C4'-P energy: -140.169 bonds (distance) P-C4' energy: -149.751 flat angles C4'-P-C4' energy: -161.379 flat angles P-C4'-P energy: -97.004 tors. eta vs tors. theta energy: -174.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2153.571796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.571796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.571796 (E_RNA) where: Base-Base interactions energy: -1440.037 where: short stacking energy: -639.133 Base-Backbone interact. energy: -0.330 local terms energy: -713.205192 where: bonds (distance) C4'-P energy: -137.815 bonds (distance) P-C4' energy: -138.756 flat angles C4'-P-C4' energy: -171.714 flat angles P-C4'-P energy: -111.527 tors. eta vs tors. theta energy: -153.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1867.968917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.968917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.968917 (E_RNA) where: Base-Base interactions energy: -1233.891 where: short stacking energy: -561.122 Base-Backbone interact. energy: -2.568 local terms energy: -631.509683 where: bonds (distance) C4'-P energy: -134.703 bonds (distance) P-C4' energy: -139.390 flat angles C4'-P-C4' energy: -134.549 flat angles P-C4'-P energy: -96.029 tors. eta vs tors. theta energy: -126.840 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: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1745.639228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.639228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.639228 (E_RNA) where: Base-Base interactions energy: -1158.633 where: short stacking energy: -523.367 Base-Backbone interact. energy: -1.393 local terms energy: -585.612996 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -116.458 flat angles C4'-P-C4' energy: -151.927 flat angles P-C4'-P energy: -84.913 tors. eta vs tors. theta energy: -106.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -917.999944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.999944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.999944 (E_RNA) where: Base-Base interactions energy: -469.554 where: short stacking energy: -248.634 Base-Backbone interact. energy: -0.779 local terms energy: -447.666524 where: bonds (distance) C4'-P energy: -116.256 bonds (distance) P-C4' energy: -143.067 flat angles C4'-P-C4' energy: -116.274 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -1.756 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: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -727.527965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.527965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.527965 (E_RNA) where: Base-Base interactions energy: -294.996 where: short stacking energy: -179.872 Base-Backbone interact. energy: 3.912 local terms energy: -436.443398 where: bonds (distance) C4'-P energy: -141.934 bonds (distance) P-C4' energy: -153.786 flat angles C4'-P-C4' energy: -103.114 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: 25.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2883.083970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.083970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.083970 (E_RNA) where: Base-Base interactions energy: -1992.770 where: short stacking energy: -893.985 Base-Backbone interact. energy: -4.258 local terms energy: -886.055840 where: bonds (distance) C4'-P energy: -158.659 bonds (distance) P-C4' energy: -158.644 flat angles C4'-P-C4' energy: -192.478 flat angles P-C4'-P energy: -116.086 tors. eta vs tors. theta energy: -260.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2789.693039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.693039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.693039 (E_RNA) where: Base-Base interactions energy: -1898.273 where: short stacking energy: -836.162 Base-Backbone interact. energy: -5.022 local terms energy: -886.398781 where: bonds (distance) C4'-P energy: -156.644 bonds (distance) P-C4' energy: -177.449 flat angles C4'-P-C4' energy: -181.538 flat angles P-C4'-P energy: -118.722 tors. eta vs tors. theta energy: -252.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2616.356621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.356621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.356621 (E_RNA) where: Base-Base interactions energy: -1779.363 where: short stacking energy: -771.526 Base-Backbone interact. energy: -7.093 local terms energy: -829.900499 where: bonds (distance) C4'-P energy: -157.527 bonds (distance) P-C4' energy: -144.254 flat angles C4'-P-C4' energy: -191.529 flat angles P-C4'-P energy: -119.513 tors. eta vs tors. theta energy: -217.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2446.507985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.507985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.507985 (E_RNA) where: Base-Base interactions energy: -1652.557 where: short stacking energy: -718.161 Base-Backbone interact. energy: -5.796 local terms energy: -788.154774 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -187.347 flat angles P-C4'-P energy: -116.471 tors. eta vs tors. theta energy: -193.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2409.454660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.454660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.454660 (E_RNA) where: Base-Base interactions energy: -1660.066 where: short stacking energy: -697.231 Base-Backbone interact. energy: 2.244 local terms energy: -751.632907 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -141.950 flat angles C4'-P-C4' energy: -173.667 flat angles P-C4'-P energy: -119.865 tors. eta vs tors. theta energy: -177.454 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: 236 Temperature: 1.150000 Total energy: -2050.166368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.166368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.166368 (E_RNA) where: Base-Base interactions energy: -1368.148 where: short stacking energy: -614.762 Base-Backbone interact. energy: -0.853 local terms energy: -681.165558 where: bonds (distance) C4'-P energy: -144.794 bonds (distance) P-C4' energy: -129.433 flat angles C4'-P-C4' energy: -163.377 flat angles P-C4'-P energy: -86.251 tors. eta vs tors. theta energy: -157.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1854.237073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.237073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.237073 (E_RNA) where: Base-Base interactions energy: -1229.890 where: short stacking energy: -556.995 Base-Backbone interact. energy: -1.873 local terms energy: -622.473850 where: bonds (distance) C4'-P energy: -127.792 bonds (distance) P-C4' energy: -143.265 flat angles C4'-P-C4' energy: -145.548 flat angles P-C4'-P energy: -78.471 tors. eta vs tors. theta energy: -127.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1747.845303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.845303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.845303 (E_RNA) where: Base-Base interactions energy: -1134.425 where: short stacking energy: -508.953 Base-Backbone interact. energy: -3.932 local terms energy: -609.488339 where: bonds (distance) C4'-P energy: -134.395 bonds (distance) P-C4' energy: -145.771 flat angles C4'-P-C4' energy: -136.006 flat angles P-C4'-P energy: -93.067 tors. eta vs tors. theta energy: -100.250 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: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -975.521752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.521752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.521752 (E_RNA) where: Base-Base interactions energy: -520.630 where: short stacking energy: -255.572 Base-Backbone interact. energy: -1.389 local terms energy: -453.503251 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -117.820 flat angles C4'-P-C4' energy: -139.578 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -3.624 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: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -719.376296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.376296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.376296 (E_RNA) where: Base-Base interactions energy: -301.742 where: short stacking energy: -207.442 Base-Backbone interact. energy: 3.961 local terms energy: -421.594780 where: bonds (distance) C4'-P energy: -111.050 bonds (distance) P-C4' energy: -127.560 flat angles C4'-P-C4' energy: -128.229 flat angles P-C4'-P energy: -63.135 tors. eta vs tors. theta energy: 8.379 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: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2872.678550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.678550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.678550 (E_RNA) where: Base-Base interactions energy: -1965.393 where: short stacking energy: -860.441 Base-Backbone interact. energy: -4.808 local terms energy: -902.477301 where: bonds (distance) C4'-P energy: -160.978 bonds (distance) P-C4' energy: -160.266 flat angles C4'-P-C4' energy: -191.395 flat angles P-C4'-P energy: -125.760 tors. eta vs tors. theta energy: -264.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2789.596449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.596449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.596449 (E_RNA) where: Base-Base interactions energy: -1917.643 where: short stacking energy: -815.612 Base-Backbone interact. energy: -2.916 local terms energy: -869.037704 where: bonds (distance) C4'-P energy: -161.482 bonds (distance) P-C4' energy: -160.822 flat angles C4'-P-C4' energy: -172.300 flat angles P-C4'-P energy: -120.975 tors. eta vs tors. theta energy: -253.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2629.865138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.865138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.865138 (E_RNA) where: Base-Base interactions energy: -1792.435 where: short stacking energy: -782.385 Base-Backbone interact. energy: -0.475 local terms energy: -836.955379 where: bonds (distance) C4'-P energy: -155.995 bonds (distance) P-C4' energy: -167.719 flat angles C4'-P-C4' energy: -175.787 flat angles P-C4'-P energy: -116.354 tors. eta vs tors. theta energy: -221.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2425.137190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.137190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.137190 (E_RNA) where: Base-Base interactions energy: -1627.601 where: short stacking energy: -713.241 Base-Backbone interact. energy: -2.268 local terms energy: -795.268687 where: bonds (distance) C4'-P energy: -167.054 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -178.688 flat angles P-C4'-P energy: -106.688 tors. eta vs tors. theta energy: -194.732 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: 237 Temperature: 1.100000 Total energy: -2389.575500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.575500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.575500 (E_RNA) where: Base-Base interactions energy: -1698.813 where: short stacking energy: -682.552 Base-Backbone interact. energy: 7.097 local terms energy: -697.859564 where: bonds (distance) C4'-P energy: -125.354 bonds (distance) P-C4' energy: -141.431 flat angles C4'-P-C4' energy: -166.595 flat angles P-C4'-P energy: -91.008 tors. eta vs tors. theta energy: -173.472 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: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2029.410412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.410412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.410412 (E_RNA) where: Base-Base interactions energy: -1354.938 where: short stacking energy: -577.215 Base-Backbone interact. energy: 2.865 local terms energy: -677.337121 where: bonds (distance) C4'-P energy: -135.220 bonds (distance) P-C4' energy: -157.620 flat angles C4'-P-C4' energy: -138.483 flat angles P-C4'-P energy: -104.659 tors. eta vs tors. theta energy: -141.355 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: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1774.914935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.914935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.914935 (E_RNA) where: Base-Base interactions energy: -1145.289 where: short stacking energy: -518.948 Base-Backbone interact. energy: -0.831 local terms energy: -628.794887 where: bonds (distance) C4'-P energy: -131.336 bonds (distance) P-C4' energy: -144.211 flat angles C4'-P-C4' energy: -129.068 flat angles P-C4'-P energy: -97.668 tors. eta vs tors. theta energy: -126.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1680.166339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.166339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.166339 (E_RNA) where: Base-Base interactions energy: -1072.397 where: short stacking energy: -458.331 Base-Backbone interact. energy: -4.449 local terms energy: -603.320079 where: bonds (distance) C4'-P energy: -141.821 bonds (distance) P-C4' energy: -132.619 flat angles C4'-P-C4' energy: -143.898 flat angles P-C4'-P energy: -70.050 tors. eta vs tors. theta energy: -114.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -990.982437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.982437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.982437 (E_RNA) where: Base-Base interactions energy: -523.345 where: short stacking energy: -278.625 Base-Backbone interact. energy: 2.286 local terms energy: -469.923922 where: bonds (distance) C4'-P energy: -135.300 bonds (distance) P-C4' energy: -155.873 flat angles C4'-P-C4' energy: -106.950 flat angles P-C4'-P energy: -61.615 tors. eta vs tors. theta energy: -10.187 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: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -712.134634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.134634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.134634 (E_RNA) where: Base-Base interactions energy: -300.358 where: short stacking energy: -191.940 Base-Backbone interact. energy: -1.230 local terms energy: -410.546007 where: bonds (distance) C4'-P energy: -112.248 bonds (distance) P-C4' energy: -128.775 flat angles C4'-P-C4' energy: -121.097 flat angles P-C4'-P energy: -53.382 tors. eta vs tors. theta energy: 4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2824.149331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.149331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.149331 (E_RNA) where: Base-Base interactions energy: -1936.568 where: short stacking energy: -847.267 Base-Backbone interact. energy: -3.853 local terms energy: -883.728512 where: bonds (distance) C4'-P energy: -168.541 bonds (distance) P-C4' energy: -164.971 flat angles C4'-P-C4' energy: -184.805 flat angles P-C4'-P energy: -119.585 tors. eta vs tors. theta energy: -245.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2772.560856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.560856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.560856 (E_RNA) where: Base-Base interactions energy: -1914.578 where: short stacking energy: -800.837 Base-Backbone interact. energy: -4.196 local terms energy: -853.785929 where: bonds (distance) C4'-P energy: -149.271 bonds (distance) P-C4' energy: -158.423 flat angles C4'-P-C4' energy: -190.415 flat angles P-C4'-P energy: -120.441 tors. eta vs tors. theta energy: -235.236 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: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2620.824410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.824410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.824410 (E_RNA) where: Base-Base interactions energy: -1800.740 where: short stacking energy: -764.964 Base-Backbone interact. energy: -5.461 local terms energy: -814.623003 where: bonds (distance) C4'-P energy: -150.423 bonds (distance) P-C4' energy: -135.766 flat angles C4'-P-C4' energy: -181.294 flat angles P-C4'-P energy: -132.083 tors. eta vs tors. theta energy: -215.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2429.997765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.997765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.997765 (E_RNA) where: Base-Base interactions energy: -1649.544 where: short stacking energy: -726.932 Base-Backbone interact. energy: -2.449 local terms energy: -778.004615 where: bonds (distance) C4'-P energy: -139.000 bonds (distance) P-C4' energy: -156.781 flat angles C4'-P-C4' energy: -165.675 flat angles P-C4'-P energy: -111.337 tors. eta vs tors. theta energy: -205.213 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: 238 Temperature: 1.100000 Total energy: -2354.857693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.857693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.857693 (E_RNA) where: Base-Base interactions energy: -1643.569 where: short stacking energy: -691.166 Base-Backbone interact. energy: -4.698 local terms energy: -706.590392 where: bonds (distance) C4'-P energy: -122.193 bonds (distance) P-C4' energy: -146.010 flat angles C4'-P-C4' energy: -158.870 flat angles P-C4'-P energy: -99.682 tors. eta vs tors. theta energy: -179.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2112.896329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.896329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.896329 (E_RNA) where: Base-Base interactions energy: -1392.918 where: short stacking energy: -629.654 Base-Backbone interact. energy: -2.575 local terms energy: -717.403260 where: bonds (distance) C4'-P energy: -138.166 bonds (distance) P-C4' energy: -142.977 flat angles C4'-P-C4' energy: -158.581 flat angles P-C4'-P energy: -111.011 tors. eta vs tors. theta energy: -166.668 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: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1852.883248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.883248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.883248 (E_RNA) where: Base-Base interactions energy: -1191.061 where: short stacking energy: -527.251 Base-Backbone interact. energy: 0.722 local terms energy: -662.543966 where: bonds (distance) C4'-P energy: -135.020 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -158.108 flat angles P-C4'-P energy: -95.918 tors. eta vs tors. theta energy: -126.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1719.819027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.819027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.819027 (E_RNA) where: Base-Base interactions energy: -1097.691 where: short stacking energy: -483.033 Base-Backbone interact. energy: 4.180 local terms energy: -626.307456 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -122.787 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -108.746 tors. eta vs tors. theta energy: -122.870 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: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -999.037691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.037691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.037691 (E_RNA) where: Base-Base interactions energy: -523.194 where: short stacking energy: -264.606 Base-Backbone interact. energy: -1.531 local terms energy: -474.312787 where: bonds (distance) C4'-P energy: -142.481 bonds (distance) P-C4' energy: -133.132 flat angles C4'-P-C4' energy: -133.578 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: 8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -739.320744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.320744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.320744 (E_RNA) where: Base-Base interactions energy: -324.061 where: short stacking energy: -200.820 Base-Backbone interact. energy: -1.431 local terms energy: -413.828040 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -143.109 flat angles C4'-P-C4' energy: -105.305 flat angles P-C4'-P energy: -59.877 tors. eta vs tors. theta energy: 16.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2845.516393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.516393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.516393 (E_RNA) where: Base-Base interactions energy: -1953.114 where: short stacking energy: -839.271 Base-Backbone interact. energy: -2.589 local terms energy: -889.813554 where: bonds (distance) C4'-P energy: -170.313 bonds (distance) P-C4' energy: -163.815 flat angles C4'-P-C4' energy: -185.272 flat angles P-C4'-P energy: -120.316 tors. eta vs tors. theta energy: -250.097 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: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2802.030562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.030562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.030562 (E_RNA) where: Base-Base interactions energy: -1931.871 where: short stacking energy: -801.842 Base-Backbone interact. energy: -4.342 local terms energy: -865.817488 where: bonds (distance) C4'-P energy: -156.636 bonds (distance) P-C4' energy: -155.318 flat angles C4'-P-C4' energy: -182.196 flat angles P-C4'-P energy: -128.972 tors. eta vs tors. theta energy: -242.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2630.934124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.934124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.934124 (E_RNA) where: Base-Base interactions energy: -1808.812 where: short stacking energy: -777.079 Base-Backbone interact. energy: 0.176 local terms energy: -822.298302 where: bonds (distance) C4'-P energy: -148.488 bonds (distance) P-C4' energy: -163.245 flat angles C4'-P-C4' energy: -181.551 flat angles P-C4'-P energy: -97.114 tors. eta vs tors. theta energy: -231.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2446.434279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.434279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.434279 (E_RNA) where: Base-Base interactions energy: -1671.508 where: short stacking energy: -692.654 Base-Backbone interact. energy: -2.327 local terms energy: -772.598448 where: bonds (distance) C4'-P energy: -161.197 bonds (distance) P-C4' energy: -142.940 flat angles C4'-P-C4' energy: -169.000 flat angles P-C4'-P energy: -108.635 tors. eta vs tors. theta energy: -190.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2337.921764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.921764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.921764 (E_RNA) where: Base-Base interactions energy: -1585.088 where: short stacking energy: -662.894 Base-Backbone interact. energy: 1.080 local terms energy: -753.914165 where: bonds (distance) C4'-P energy: -133.970 bonds (distance) P-C4' energy: -150.035 flat angles C4'-P-C4' energy: -174.874 flat angles P-C4'-P energy: -119.056 tors. eta vs tors. theta energy: -175.979 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: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2110.786097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.786097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.786097 (E_RNA) where: Base-Base interactions energy: -1390.853 where: short stacking energy: -615.474 Base-Backbone interact. energy: -3.629 local terms energy: -716.303904 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -156.055 flat angles C4'-P-C4' energy: -158.647 flat angles P-C4'-P energy: -112.443 tors. eta vs tors. theta energy: -153.339 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: 7, replica: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1915.360226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.360226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.360226 (E_RNA) where: Base-Base interactions energy: -1258.527 where: short stacking energy: -540.770 Base-Backbone interact. energy: -2.763 local terms energy: -654.070695 where: bonds (distance) C4'-P energy: -114.178 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -151.780 flat angles P-C4'-P energy: -92.463 tors. eta vs tors. theta energy: -147.629 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: 8, replica: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1675.819242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.819242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.819242 (E_RNA) where: Base-Base interactions energy: -1073.338 where: short stacking energy: -504.573 Base-Backbone interact. energy: 1.104 local terms energy: -603.584492 where: bonds (distance) C4'-P energy: -134.986 bonds (distance) P-C4' energy: -141.963 flat angles C4'-P-C4' energy: -148.281 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -102.599 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: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -985.345407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.345407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.345407 (E_RNA) where: Base-Base interactions energy: -541.424 where: short stacking energy: -284.877 Base-Backbone interact. energy: 8.154 local terms energy: -452.074900 where: bonds (distance) C4'-P energy: -122.279 bonds (distance) P-C4' energy: -135.961 flat angles C4'-P-C4' energy: -135.361 flat angles P-C4'-P energy: -44.645 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -711.474963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.474963 (E_RNA) where: Base-Base interactions energy: -324.328 where: short stacking energy: -206.477 Base-Backbone interact. energy: 0.480 local terms energy: -387.626368 where: bonds (distance) C4'-P energy: -127.940 bonds (distance) P-C4' energy: -135.795 flat angles C4'-P-C4' energy: -99.360 flat angles P-C4'-P energy: -65.007 tors. eta vs tors. theta energy: 40.476 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: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2840.426270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.426270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.426270 (E_RNA) where: Base-Base interactions energy: -1920.698 where: short stacking energy: -829.199 Base-Backbone interact. energy: -5.720 local terms energy: -914.007337 where: bonds (distance) C4'-P energy: -162.081 bonds (distance) P-C4' energy: -173.294 flat angles C4'-P-C4' energy: -194.508 flat angles P-C4'-P energy: -127.326 tors. eta vs tors. theta energy: -256.798 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: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2829.576706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.576706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.576706 (E_RNA) where: Base-Base interactions energy: -1948.654 where: short stacking energy: -836.586 Base-Backbone interact. energy: -2.063 local terms energy: -878.859362 where: bonds (distance) C4'-P energy: -155.600 bonds (distance) P-C4' energy: -165.240 flat angles C4'-P-C4' energy: -190.288 flat angles P-C4'-P energy: -121.278 tors. eta vs tors. theta energy: -246.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2582.576654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.576654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.576654 (E_RNA) where: Base-Base interactions energy: -1737.303 where: short stacking energy: -749.062 Base-Backbone interact. energy: -3.862 local terms energy: -841.411769 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -181.256 flat angles C4'-P-C4' energy: -177.943 flat angles P-C4'-P energy: -127.340 tors. eta vs tors. theta energy: -218.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2411.869037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.869037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.869037 (E_RNA) where: Base-Base interactions energy: -1641.195 where: short stacking energy: -691.962 Base-Backbone interact. energy: -4.798 local terms energy: -765.875743 where: bonds (distance) C4'-P energy: -138.808 bonds (distance) P-C4' energy: -152.643 flat angles C4'-P-C4' energy: -171.921 flat angles P-C4'-P energy: -113.670 tors. eta vs tors. theta energy: -188.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2330.194371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.194371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.194371 (E_RNA) where: Base-Base interactions energy: -1573.199 where: short stacking energy: -680.669 Base-Backbone interact. energy: -4.666 local terms energy: -752.329063 where: bonds (distance) C4'-P energy: -143.215 bonds (distance) P-C4' energy: -148.952 flat angles C4'-P-C4' energy: -165.104 flat angles P-C4'-P energy: -106.188 tors. eta vs tors. theta energy: -188.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2085.025429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.025429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.025429 (E_RNA) where: Base-Base interactions energy: -1426.359 where: short stacking energy: -573.437 Base-Backbone interact. energy: -2.263 local terms energy: -656.403757 where: bonds (distance) C4'-P energy: -126.524 bonds (distance) P-C4' energy: -146.713 flat angles C4'-P-C4' energy: -134.815 flat angles P-C4'-P energy: -101.066 tors. eta vs tors. theta energy: -147.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1874.780300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.780300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.780300 (E_RNA) where: Base-Base interactions energy: -1226.088 where: short stacking energy: -549.683 Base-Backbone interact. energy: -3.585 local terms energy: -645.107280 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -131.544 flat angles C4'-P-C4' energy: -145.689 flat angles P-C4'-P energy: -103.013 tors. eta vs tors. theta energy: -134.071 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: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1654.068277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.068277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.068277 (E_RNA) where: Base-Base interactions energy: -1081.998 where: short stacking energy: -491.035 Base-Backbone interact. energy: -3.836 local terms energy: -568.234116 where: bonds (distance) C4'-P energy: -126.626 bonds (distance) P-C4' energy: -133.086 flat angles C4'-P-C4' energy: -146.336 flat angles P-C4'-P energy: -72.753 tors. eta vs tors. theta energy: -89.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -995.072154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.072154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.072154 (E_RNA) where: Base-Base interactions energy: -519.064 where: short stacking energy: -271.901 Base-Backbone interact. energy: -0.263 local terms energy: -475.745066 where: bonds (distance) C4'-P energy: -125.865 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -130.818 flat angles P-C4'-P energy: -78.859 tors. eta vs tors. theta energy: -12.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -714.887134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.887134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.887134 (E_RNA) where: Base-Base interactions energy: -319.213 where: short stacking energy: -195.263 Base-Backbone interact. energy: 2.383 local terms energy: -398.057328 where: bonds (distance) C4'-P energy: -104.390 bonds (distance) P-C4' energy: -155.204 flat angles C4'-P-C4' energy: -105.117 flat angles P-C4'-P energy: -68.043 tors. eta vs tors. theta energy: 34.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2875.175623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.175623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.175623 (E_RNA) where: Base-Base interactions energy: -1976.523 where: short stacking energy: -861.918 Base-Backbone interact. energy: 6.218 local terms energy: -904.869999 where: bonds (distance) C4'-P energy: -170.892 bonds (distance) P-C4' energy: -169.532 flat angles C4'-P-C4' energy: -191.496 flat angles P-C4'-P energy: -123.077 tors. eta vs tors. theta energy: -249.873 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: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2793.885676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.885676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.885676 (E_RNA) where: Base-Base interactions energy: -1932.751 where: short stacking energy: -829.933 Base-Backbone interact. energy: 0.524 local terms energy: -861.659183 where: bonds (distance) C4'-P energy: -161.197 bonds (distance) P-C4' energy: -163.272 flat angles C4'-P-C4' energy: -183.930 flat angles P-C4'-P energy: -108.913 tors. eta vs tors. theta energy: -244.346 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: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2568.724070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.724070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.724070 (E_RNA) where: Base-Base interactions energy: -1729.920 where: short stacking energy: -773.390 Base-Backbone interact. energy: -5.177 local terms energy: -833.627086 where: bonds (distance) C4'-P energy: -153.502 bonds (distance) P-C4' energy: -153.255 flat angles C4'-P-C4' energy: -186.185 flat angles P-C4'-P energy: -122.012 tors. eta vs tors. theta energy: -218.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2440.384477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.384477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.384477 (E_RNA) where: Base-Base interactions energy: -1690.740 where: short stacking energy: -663.354 Base-Backbone interact. energy: -3.282 local terms energy: -746.362314 where: bonds (distance) C4'-P energy: -137.697 bonds (distance) P-C4' energy: -146.186 flat angles C4'-P-C4' energy: -171.610 flat angles P-C4'-P energy: -101.307 tors. eta vs tors. theta energy: -189.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2381.911062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.911062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.911062 (E_RNA) where: Base-Base interactions energy: -1606.317 where: short stacking energy: -684.318 Base-Backbone interact. energy: -0.372 local terms energy: -775.222099 where: bonds (distance) C4'-P energy: -135.246 bonds (distance) P-C4' energy: -146.674 flat angles C4'-P-C4' energy: -189.551 flat angles P-C4'-P energy: -103.141 tors. eta vs tors. theta energy: -200.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2135.061965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.061965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.061965 (E_RNA) where: Base-Base interactions energy: -1437.226 where: short stacking energy: -609.112 Base-Backbone interact. energy: -2.633 local terms energy: -695.203720 where: bonds (distance) C4'-P energy: -147.842 bonds (distance) P-C4' energy: -143.045 flat angles C4'-P-C4' energy: -168.508 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -147.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1922.993643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.993643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.993643 (E_RNA) where: Base-Base interactions energy: -1235.991 where: short stacking energy: -538.323 Base-Backbone interact. energy: -1.260 local terms energy: -685.742695 where: bonds (distance) C4'-P energy: -137.718 bonds (distance) P-C4' energy: -150.845 flat angles C4'-P-C4' energy: -149.203 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -156.507 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: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1714.336776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.336776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.336776 (E_RNA) where: Base-Base interactions energy: -1105.634 where: short stacking energy: -485.680 Base-Backbone interact. energy: -2.454 local terms energy: -606.247817 where: bonds (distance) C4'-P energy: -129.357 bonds (distance) P-C4' energy: -136.249 flat angles C4'-P-C4' energy: -151.354 flat angles P-C4'-P energy: -78.074 tors. eta vs tors. theta energy: -111.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1034.455079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.455079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.455079 (E_RNA) where: Base-Base interactions energy: -559.783 where: short stacking energy: -293.027 Base-Backbone interact. energy: 4.956 local terms energy: -479.628232 where: bonds (distance) C4'-P energy: -132.316 bonds (distance) P-C4' energy: -133.407 flat angles C4'-P-C4' energy: -127.156 flat angles P-C4'-P energy: -78.129 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -710.304904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.304904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.304904 (E_RNA) where: Base-Base interactions energy: -274.288 where: short stacking energy: -194.596 Base-Backbone interact. energy: 4.033 local terms energy: -440.049739 where: bonds (distance) C4'-P energy: -137.725 bonds (distance) P-C4' energy: -141.947 flat angles C4'-P-C4' energy: -122.519 flat angles P-C4'-P energy: -58.338 tors. eta vs tors. theta energy: 20.479 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: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2865.548673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.548673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.548673 (E_RNA) where: Base-Base interactions energy: -1966.595 where: short stacking energy: -847.230 Base-Backbone interact. energy: -4.689 local terms energy: -894.264490 where: bonds (distance) C4'-P energy: -149.157 bonds (distance) P-C4' energy: -167.634 flat angles C4'-P-C4' energy: -197.517 flat angles P-C4'-P energy: -126.718 tors. eta vs tors. theta energy: -253.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2766.595889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.595889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.595889 (E_RNA) where: Base-Base interactions energy: -1923.069 where: short stacking energy: -800.661 Base-Backbone interact. energy: -4.372 local terms energy: -839.154050 where: bonds (distance) C4'-P energy: -141.824 bonds (distance) P-C4' energy: -166.469 flat angles C4'-P-C4' energy: -181.546 flat angles P-C4'-P energy: -119.861 tors. eta vs tors. theta energy: -229.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2569.577071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.577071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.577071 (E_RNA) where: Base-Base interactions energy: -1735.152 where: short stacking energy: -747.045 Base-Backbone interact. energy: -5.471 local terms energy: -828.953976 where: bonds (distance) C4'-P energy: -154.841 bonds (distance) P-C4' energy: -151.074 flat angles C4'-P-C4' energy: -185.140 flat angles P-C4'-P energy: -115.334 tors. eta vs tors. theta energy: -222.566 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: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2422.837934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.837934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.837934 (E_RNA) where: Base-Base interactions energy: -1656.491 where: short stacking energy: -677.460 Base-Backbone interact. energy: 2.965 local terms energy: -769.311963 where: bonds (distance) C4'-P energy: -143.934 bonds (distance) P-C4' energy: -152.742 flat angles C4'-P-C4' energy: -167.101 flat angles P-C4'-P energy: -115.486 tors. eta vs tors. theta energy: -190.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2351.723960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.723960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.723960 (E_RNA) where: Base-Base interactions energy: -1604.286 where: short stacking energy: -648.925 Base-Backbone interact. energy: 4.463 local terms energy: -751.901682 where: bonds (distance) C4'-P energy: -144.749 bonds (distance) P-C4' energy: -140.807 flat angles C4'-P-C4' energy: -173.125 flat angles P-C4'-P energy: -108.948 tors. eta vs tors. theta energy: -184.272 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: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2142.720025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.720025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.720025 (E_RNA) where: Base-Base interactions energy: -1467.508 where: short stacking energy: -603.957 Base-Backbone interact. energy: -2.860 local terms energy: -672.351853 where: bonds (distance) C4'-P energy: -129.533 bonds (distance) P-C4' energy: -144.087 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -87.808 tors. eta vs tors. theta energy: -150.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1847.773568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.773568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.773568 (E_RNA) where: Base-Base interactions energy: -1196.895 where: short stacking energy: -544.222 Base-Backbone interact. energy: 8.028 local terms energy: -658.905948 where: bonds (distance) C4'-P energy: -135.365 bonds (distance) P-C4' energy: -149.775 flat angles C4'-P-C4' energy: -147.113 flat angles P-C4'-P energy: -90.796 tors. eta vs tors. theta energy: -135.858 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1761.138091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.138091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.138091 (E_RNA) where: Base-Base interactions energy: -1151.833 where: short stacking energy: -513.757 Base-Backbone interact. energy: 1.409 local terms energy: -610.714677 where: bonds (distance) C4'-P energy: -129.201 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -141.668 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -114.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -989.553648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.553648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.553648 (E_RNA) where: Base-Base interactions energy: -517.221 where: short stacking energy: -286.648 Base-Backbone interact. energy: 10.096 local terms energy: -482.428740 where: bonds (distance) C4'-P energy: -133.919 bonds (distance) P-C4' energy: -119.028 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -81.108 tors. eta vs tors. theta energy: -15.368 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: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -742.562651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.562651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.562651 (E_RNA) where: Base-Base interactions energy: -294.404 where: short stacking energy: -212.050 Base-Backbone interact. energy: 6.109 local terms energy: -454.267961 where: bonds (distance) C4'-P energy: -131.448 bonds (distance) P-C4' energy: -116.178 flat angles C4'-P-C4' energy: -135.538 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2863.251592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.251592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.251592 (E_RNA) where: Base-Base interactions energy: -1956.787 where: short stacking energy: -854.782 Base-Backbone interact. energy: -4.576 local terms energy: -901.888549 where: bonds (distance) C4'-P energy: -171.841 bonds (distance) P-C4' energy: -155.834 flat angles C4'-P-C4' energy: -183.607 flat angles P-C4'-P energy: -132.790 tors. eta vs tors. theta energy: -257.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2770.353291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.353291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.353291 (E_RNA) where: Base-Base interactions energy: -1895.321 where: short stacking energy: -804.394 Base-Backbone interact. energy: -0.953 local terms energy: -874.079314 where: bonds (distance) C4'-P energy: -162.088 bonds (distance) P-C4' energy: -158.540 flat angles C4'-P-C4' energy: -184.530 flat angles P-C4'-P energy: -124.255 tors. eta vs tors. theta energy: -244.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2586.009717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.009717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.009717 (E_RNA) where: Base-Base interactions energy: -1822.698 where: short stacking energy: -770.679 Base-Backbone interact. energy: -2.469 local terms energy: -760.842726 where: bonds (distance) C4'-P energy: -136.019 bonds (distance) P-C4' energy: -154.254 flat angles C4'-P-C4' energy: -156.917 flat angles P-C4'-P energy: -99.423 tors. eta vs tors. theta energy: -214.228 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: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2376.629496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.629496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.629496 (E_RNA) where: Base-Base interactions energy: -1588.432 where: short stacking energy: -647.558 Base-Backbone interact. energy: -2.098 local terms energy: -786.099623 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -168.139 flat angles C4'-P-C4' energy: -179.602 flat angles P-C4'-P energy: -109.715 tors. eta vs tors. theta energy: -180.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2295.722230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.722230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.722230 (E_RNA) where: Base-Base interactions energy: -1544.067 where: short stacking energy: -673.996 Base-Backbone interact. energy: 5.645 local terms energy: -757.299957 where: bonds (distance) C4'-P energy: -161.353 bonds (distance) P-C4' energy: -145.508 flat angles C4'-P-C4' energy: -162.663 flat angles P-C4'-P energy: -113.853 tors. eta vs tors. theta energy: -173.923 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: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2071.882984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.882984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.882984 (E_RNA) where: Base-Base interactions energy: -1390.306 where: short stacking energy: -604.841 Base-Backbone interact. energy: 0.823 local terms energy: -682.400246 where: bonds (distance) C4'-P energy: -151.132 bonds (distance) P-C4' energy: -123.996 flat angles C4'-P-C4' energy: -163.276 flat angles P-C4'-P energy: -97.981 tors. eta vs tors. theta energy: -146.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1920.092706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.092706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.092706 (E_RNA) where: Base-Base interactions energy: -1261.225 where: short stacking energy: -535.248 Base-Backbone interact. energy: -3.669 local terms energy: -655.198450 where: bonds (distance) C4'-P energy: -134.392 bonds (distance) P-C4' energy: -139.788 flat angles C4'-P-C4' energy: -151.265 flat angles P-C4'-P energy: -102.012 tors. eta vs tors. theta energy: -127.741 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: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1640.825052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.825052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.825052 (E_RNA) where: Base-Base interactions energy: -1056.490 where: short stacking energy: -453.119 Base-Backbone interact. energy: -2.851 local terms energy: -581.484029 where: bonds (distance) C4'-P energy: -130.653 bonds (distance) P-C4' energy: -131.607 flat angles C4'-P-C4' energy: -156.152 flat angles P-C4'-P energy: -86.512 tors. eta vs tors. theta energy: -76.561 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: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -945.865844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.865844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.865844 (E_RNA) where: Base-Base interactions energy: -476.428 where: short stacking energy: -274.815 Base-Backbone interact. energy: -0.711 local terms energy: -468.726772 where: bonds (distance) C4'-P energy: -135.640 bonds (distance) P-C4' energy: -135.814 flat angles C4'-P-C4' energy: -120.722 flat angles P-C4'-P energy: -59.708 tors. eta vs tors. theta energy: -16.843 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: 243 Temperature: 1.350000 Total energy: -751.731974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.731974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.731974 (E_RNA) where: Base-Base interactions energy: -304.164 where: short stacking energy: -204.393 Base-Backbone interact. energy: 4.120 local terms energy: -451.687864 where: bonds (distance) C4'-P energy: -132.047 bonds (distance) P-C4' energy: -146.109 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -77.461 tors. eta vs tors. theta energy: 14.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2854.767696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.767696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.767696 (E_RNA) where: Base-Base interactions energy: -1949.952 where: short stacking energy: -847.704 Base-Backbone interact. energy: -7.222 local terms energy: -897.594163 where: bonds (distance) C4'-P energy: -147.938 bonds (distance) P-C4' energy: -161.753 flat angles C4'-P-C4' energy: -198.959 flat angles P-C4'-P energy: -129.061 tors. eta vs tors. theta energy: -259.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2770.765088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.765088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.765088 (E_RNA) where: Base-Base interactions energy: -1874.053 where: short stacking energy: -800.865 Base-Backbone interact. energy: 0.121 local terms energy: -896.832992 where: bonds (distance) C4'-P energy: -168.011 bonds (distance) P-C4' energy: -164.710 flat angles C4'-P-C4' energy: -181.421 flat angles P-C4'-P energy: -128.988 tors. eta vs tors. theta energy: -253.704 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: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2684.995750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.995750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.995750 (E_RNA) where: Base-Base interactions energy: -1841.245 where: short stacking energy: -794.816 Base-Backbone interact. energy: -7.041 local terms energy: -836.710260 where: bonds (distance) C4'-P energy: -141.505 bonds (distance) P-C4' energy: -148.713 flat angles C4'-P-C4' energy: -173.770 flat angles P-C4'-P energy: -131.945 tors. eta vs tors. theta energy: -240.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2422.498106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.498106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.498106 (E_RNA) where: Base-Base interactions energy: -1637.157 where: short stacking energy: -680.276 Base-Backbone interact. energy: 2.472 local terms energy: -787.813549 where: bonds (distance) C4'-P energy: -148.773 bonds (distance) P-C4' energy: -162.038 flat angles C4'-P-C4' energy: -182.305 flat angles P-C4'-P energy: -114.497 tors. eta vs tors. theta energy: -180.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2325.016995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.016995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.016995 (E_RNA) where: Base-Base interactions energy: -1574.607 where: short stacking energy: -692.840 Base-Backbone interact. energy: -4.372 local terms energy: -746.037843 where: bonds (distance) C4'-P energy: -139.140 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -168.767 flat angles P-C4'-P energy: -96.150 tors. eta vs tors. theta energy: -198.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2002.337753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.337753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.337753 (E_RNA) where: Base-Base interactions energy: -1329.571 where: short stacking energy: -561.040 Base-Backbone interact. energy: -1.755 local terms energy: -671.012191 where: bonds (distance) C4'-P energy: -149.855 bonds (distance) P-C4' energy: -158.342 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -83.427 tors. eta vs tors. theta energy: -139.078 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: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1837.414498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.414498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.414498 (E_RNA) where: Base-Base interactions energy: -1197.155 where: short stacking energy: -517.257 Base-Backbone interact. energy: -1.974 local terms energy: -638.285718 where: bonds (distance) C4'-P energy: -119.308 bonds (distance) P-C4' energy: -140.755 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -105.285 tors. eta vs tors. theta energy: -123.810 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: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1606.864282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.864282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.864282 (E_RNA) where: Base-Base interactions energy: -1019.729 where: short stacking energy: -474.753 Base-Backbone interact. energy: 2.716 local terms energy: -589.851943 where: bonds (distance) C4'-P energy: -139.017 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -138.144 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -91.452 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: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -908.235067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.235067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.235067 (E_RNA) where: Base-Base interactions energy: -476.210 where: short stacking energy: -258.879 Base-Backbone interact. energy: 1.279 local terms energy: -433.304025 where: bonds (distance) C4'-P energy: -128.028 bonds (distance) P-C4' energy: -147.423 flat angles C4'-P-C4' energy: -104.166 flat angles P-C4'-P energy: -67.476 tors. eta vs tors. theta energy: 13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -727.107833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.107833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.107833 (E_RNA) where: Base-Base interactions energy: -289.331 where: short stacking energy: -211.104 Base-Backbone interact. energy: -2.312 local terms energy: -435.464491 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -120.640 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: 29.744 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: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2840.228718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.228718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.228718 (E_RNA) where: Base-Base interactions energy: -1921.193 where: short stacking energy: -845.643 Base-Backbone interact. energy: -3.628 local terms energy: -915.407569 where: bonds (distance) C4'-P energy: -167.425 bonds (distance) P-C4' energy: -162.332 flat angles C4'-P-C4' energy: -180.287 flat angles P-C4'-P energy: -141.111 tors. eta vs tors. theta energy: -264.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2711.807985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.807985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.807985 (E_RNA) where: Base-Base interactions energy: -1855.519 where: short stacking energy: -801.835 Base-Backbone interact. energy: -0.720 local terms energy: -855.568204 where: bonds (distance) C4'-P energy: -155.463 bonds (distance) P-C4' energy: -162.091 flat angles C4'-P-C4' energy: -187.461 flat angles P-C4'-P energy: -107.719 tors. eta vs tors. theta energy: -242.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2712.841743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.841743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.841743 (E_RNA) where: Base-Base interactions energy: -1853.824 where: short stacking energy: -788.578 Base-Backbone interact. energy: -6.814 local terms energy: -852.203886 where: bonds (distance) C4'-P energy: -137.837 bonds (distance) P-C4' energy: -156.793 flat angles C4'-P-C4' energy: -181.707 flat angles P-C4'-P energy: -129.313 tors. eta vs tors. theta energy: -246.554 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: 245 Temperature: 1.050000 Total energy: -2457.717077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.717077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.717077 (E_RNA) where: Base-Base interactions energy: -1629.745 where: short stacking energy: -662.672 Base-Backbone interact. energy: -1.104 local terms energy: -826.868404 where: bonds (distance) C4'-P energy: -168.805 bonds (distance) P-C4' energy: -165.620 flat angles C4'-P-C4' energy: -159.748 flat angles P-C4'-P energy: -120.996 tors. eta vs tors. theta energy: -211.699 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: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2293.204693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.204693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.204693 (E_RNA) where: Base-Base interactions energy: -1548.539 where: short stacking energy: -668.600 Base-Backbone interact. energy: -3.061 local terms energy: -741.604306 where: bonds (distance) C4'-P energy: -136.752 bonds (distance) P-C4' energy: -151.363 flat angles C4'-P-C4' energy: -173.051 flat angles P-C4'-P energy: -107.788 tors. eta vs tors. theta energy: -172.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2065.526990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.526990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.526990 (E_RNA) where: Base-Base interactions energy: -1386.002 where: short stacking energy: -600.914 Base-Backbone interact. energy: 3.318 local terms energy: -682.842307 where: bonds (distance) C4'-P energy: -145.497 bonds (distance) P-C4' energy: -139.479 flat angles C4'-P-C4' energy: -171.398 flat angles P-C4'-P energy: -79.919 tors. eta vs tors. theta energy: -146.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1872.129333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.129333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.129333 (E_RNA) where: Base-Base interactions energy: -1192.574 where: short stacking energy: -542.750 Base-Backbone interact. energy: -1.838 local terms energy: -677.716822 where: bonds (distance) C4'-P energy: -144.955 bonds (distance) P-C4' energy: -144.913 flat angles C4'-P-C4' energy: -160.989 flat angles P-C4'-P energy: -94.494 tors. eta vs tors. theta energy: -132.366 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: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1612.945857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.945857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.945857 (E_RNA) where: Base-Base interactions energy: -1018.901 where: short stacking energy: -464.798 Base-Backbone interact. energy: 3.165 local terms energy: -597.210375 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -136.985 flat angles C4'-P-C4' energy: -147.768 flat angles P-C4'-P energy: -90.641 tors. eta vs tors. theta energy: -98.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1007.172039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.172039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.172039 (E_RNA) where: Base-Base interactions energy: -564.365 where: short stacking energy: -281.881 Base-Backbone interact. energy: -1.989 local terms energy: -440.818606 where: bonds (distance) C4'-P energy: -108.584 bonds (distance) P-C4' energy: -137.556 flat angles C4'-P-C4' energy: -124.751 flat angles P-C4'-P energy: -65.285 tors. eta vs tors. theta energy: -4.643 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: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -736.391899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.391899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.391899 (E_RNA) where: Base-Base interactions energy: -295.476 where: short stacking energy: -199.453 Base-Backbone interact. energy: 1.275 local terms energy: -442.190431 where: bonds (distance) C4'-P energy: -135.960 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -117.653 flat angles P-C4'-P energy: -75.841 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2870.991292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.991292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.991292 (E_RNA) where: Base-Base interactions energy: -1950.231 where: short stacking energy: -834.334 Base-Backbone interact. energy: -4.562 local terms energy: -916.198243 where: bonds (distance) C4'-P energy: -149.441 bonds (distance) P-C4' energy: -178.917 flat angles C4'-P-C4' energy: -187.895 flat angles P-C4'-P energy: -141.093 tors. eta vs tors. theta energy: -258.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2740.318459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.318459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.318459 (E_RNA) where: Base-Base interactions energy: -1871.025 where: short stacking energy: -797.440 Base-Backbone interact. energy: 0.059 local terms energy: -869.352679 where: bonds (distance) C4'-P energy: -154.612 bonds (distance) P-C4' energy: -157.553 flat angles C4'-P-C4' energy: -191.434 flat angles P-C4'-P energy: -119.193 tors. eta vs tors. theta energy: -246.560 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: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2726.976265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.976265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.976265 (E_RNA) where: Base-Base interactions energy: -1886.067 where: short stacking energy: -783.112 Base-Backbone interact. energy: -1.828 local terms energy: -839.081822 where: bonds (distance) C4'-P energy: -156.729 bonds (distance) P-C4' energy: -143.286 flat angles C4'-P-C4' energy: -182.532 flat angles P-C4'-P energy: -117.538 tors. eta vs tors. theta energy: -238.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2434.663028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.663028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.663028 (E_RNA) where: Base-Base interactions energy: -1658.161 where: short stacking energy: -691.154 Base-Backbone interact. energy: -2.196 local terms energy: -774.305599 where: bonds (distance) C4'-P energy: -143.348 bonds (distance) P-C4' energy: -160.252 flat angles C4'-P-C4' energy: -168.048 flat angles P-C4'-P energy: -104.691 tors. eta vs tors. theta energy: -197.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2326.588501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.588501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.588501 (E_RNA) where: Base-Base interactions energy: -1579.682 where: short stacking energy: -674.994 Base-Backbone interact. energy: 1.296 local terms energy: -748.202248 where: bonds (distance) C4'-P energy: -143.453 bonds (distance) P-C4' energy: -148.796 flat angles C4'-P-C4' energy: -170.461 flat angles P-C4'-P energy: -109.422 tors. eta vs tors. theta energy: -176.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1992.997322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.997322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.997322 (E_RNA) where: Base-Base interactions energy: -1321.641 where: short stacking energy: -570.604 Base-Backbone interact. energy: 1.225 local terms energy: -672.581039 where: bonds (distance) C4'-P energy: -142.703 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -154.122 flat angles P-C4'-P energy: -83.897 tors. eta vs tors. theta energy: -159.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1932.946210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.946210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.946210 (E_RNA) where: Base-Base interactions energy: -1251.046 where: short stacking energy: -558.002 Base-Backbone interact. energy: -0.836 local terms energy: -681.063783 where: bonds (distance) C4'-P energy: -133.365 bonds (distance) P-C4' energy: -140.096 flat angles C4'-P-C4' energy: -162.906 flat angles P-C4'-P energy: -102.415 tors. eta vs tors. theta energy: -142.282 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1667.393546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.393546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.393546 (E_RNA) where: Base-Base interactions energy: -1051.616 where: short stacking energy: -464.668 Base-Backbone interact. energy: -0.720 local terms energy: -615.057797 where: bonds (distance) C4'-P energy: -161.137 bonds (distance) P-C4' energy: -144.216 flat angles C4'-P-C4' energy: -151.492 flat angles P-C4'-P energy: -69.687 tors. eta vs tors. theta energy: -88.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1021.946614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.946614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.946614 (E_RNA) where: Base-Base interactions energy: -550.368 where: short stacking energy: -296.855 Base-Backbone interact. energy: -3.517 local terms energy: -468.062269 where: bonds (distance) C4'-P energy: -125.728 bonds (distance) P-C4' energy: -121.878 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -76.700 tors. eta vs tors. theta energy: -7.807 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: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -755.797975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.797975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.797975 (E_RNA) where: Base-Base interactions energy: -312.058 where: short stacking energy: -208.542 Base-Backbone interact. energy: 1.354 local terms energy: -445.093744 where: bonds (distance) C4'-P energy: -138.867 bonds (distance) P-C4' energy: -144.596 flat angles C4'-P-C4' energy: -114.885 flat angles P-C4'-P energy: -61.264 tors. eta vs tors. theta energy: 14.518 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: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2860.458467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.458467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.458467 (E_RNA) where: Base-Base interactions energy: -1935.666 where: short stacking energy: -859.200 Base-Backbone interact. energy: -2.635 local terms energy: -922.156907 where: bonds (distance) C4'-P energy: -147.760 bonds (distance) P-C4' energy: -180.399 flat angles C4'-P-C4' energy: -195.011 flat angles P-C4'-P energy: -135.150 tors. eta vs tors. theta energy: -263.836 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: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2766.728847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.728847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.728847 (E_RNA) where: Base-Base interactions energy: -1906.103 where: short stacking energy: -793.831 Base-Backbone interact. energy: -4.341 local terms energy: -856.284219 where: bonds (distance) C4'-P energy: -147.939 bonds (distance) P-C4' energy: -160.805 flat angles C4'-P-C4' energy: -173.798 flat angles P-C4'-P energy: -130.031 tors. eta vs tors. theta energy: -243.712 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: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2688.972429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.972429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.972429 (E_RNA) where: Base-Base interactions energy: -1837.945 where: short stacking energy: -781.267 Base-Backbone interact. energy: -4.540 local terms energy: -846.487471 where: bonds (distance) C4'-P energy: -131.975 bonds (distance) P-C4' energy: -160.122 flat angles C4'-P-C4' energy: -190.023 flat angles P-C4'-P energy: -118.827 tors. eta vs tors. theta energy: -245.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2446.985873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.985873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.985873 (E_RNA) where: Base-Base interactions energy: -1661.555 where: short stacking energy: -707.592 Base-Backbone interact. energy: -1.075 local terms energy: -784.356040 where: bonds (distance) C4'-P energy: -152.240 bonds (distance) P-C4' energy: -142.350 flat angles C4'-P-C4' energy: -178.636 flat angles P-C4'-P energy: -119.105 tors. eta vs tors. theta energy: -192.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2287.001521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.001521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.001521 (E_RNA) where: Base-Base interactions energy: -1545.822 where: short stacking energy: -646.759 Base-Backbone interact. energy: -2.074 local terms energy: -739.105263 where: bonds (distance) C4'-P energy: -161.618 bonds (distance) P-C4' energy: -127.985 flat angles C4'-P-C4' energy: -180.089 flat angles P-C4'-P energy: -95.223 tors. eta vs tors. theta energy: -174.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2016.236753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.236753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.236753 (E_RNA) where: Base-Base interactions energy: -1287.122 where: short stacking energy: -570.404 Base-Backbone interact. energy: -0.502 local terms energy: -728.612578 where: bonds (distance) C4'-P energy: -158.424 bonds (distance) P-C4' energy: -152.820 flat angles C4'-P-C4' energy: -165.789 flat angles P-C4'-P energy: -91.727 tors. eta vs tors. theta energy: -159.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1892.372645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.372645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.372645 (E_RNA) where: Base-Base interactions energy: -1242.881 where: short stacking energy: -553.478 Base-Backbone interact. energy: -3.778 local terms energy: -645.713997 where: bonds (distance) C4'-P energy: -123.662 bonds (distance) P-C4' energy: -161.747 flat angles C4'-P-C4' energy: -149.406 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -118.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1732.299022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.299022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.299022 (E_RNA) where: Base-Base interactions energy: -1150.220 where: short stacking energy: -516.231 Base-Backbone interact. energy: -1.216 local terms energy: -580.862490 where: bonds (distance) C4'-P energy: -126.231 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -132.644 flat angles P-C4'-P energy: -75.349 tors. eta vs tors. theta energy: -114.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -992.608667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.608667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.608667 (E_RNA) where: Base-Base interactions energy: -526.345 where: short stacking energy: -274.802 Base-Backbone interact. energy: -2.372 local terms energy: -463.891744 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -126.908 flat angles C4'-P-C4' energy: -122.710 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -758.212793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.212793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.212793 (E_RNA) where: Base-Base interactions energy: -324.356 where: short stacking energy: -208.224 Base-Backbone interact. energy: -2.320 local terms energy: -431.536706 where: bonds (distance) C4'-P energy: -125.256 bonds (distance) P-C4' energy: -147.728 flat angles C4'-P-C4' energy: -110.061 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: 10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2838.729822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.729822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.729822 (E_RNA) where: Base-Base interactions energy: -1954.560 where: short stacking energy: -827.854 Base-Backbone interact. energy: -0.175 local terms energy: -883.994712 where: bonds (distance) C4'-P energy: -161.474 bonds (distance) P-C4' energy: -167.982 flat angles C4'-P-C4' energy: -180.122 flat angles P-C4'-P energy: -121.226 tors. eta vs tors. theta energy: -253.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2777.712567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.712567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.712567 (E_RNA) where: Base-Base interactions energy: -1911.783 where: short stacking energy: -785.299 Base-Backbone interact. energy: -3.345 local terms energy: -862.584171 where: bonds (distance) C4'-P energy: -170.593 bonds (distance) P-C4' energy: -164.678 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -114.100 tors. eta vs tors. theta energy: -234.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2727.419228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.419228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.419228 (E_RNA) where: Base-Base interactions energy: -1878.463 where: short stacking energy: -803.624 Base-Backbone interact. energy: -2.867 local terms energy: -846.088965 where: bonds (distance) C4'-P energy: -158.508 bonds (distance) P-C4' energy: -148.826 flat angles C4'-P-C4' energy: -177.732 flat angles P-C4'-P energy: -119.740 tors. eta vs tors. theta energy: -241.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2461.929986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.929986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.929986 (E_RNA) where: Base-Base interactions energy: -1679.031 where: short stacking energy: -680.644 Base-Backbone interact. energy: -2.417 local terms energy: -780.482512 where: bonds (distance) C4'-P energy: -147.237 bonds (distance) P-C4' energy: -164.365 flat angles C4'-P-C4' energy: -167.511 flat angles P-C4'-P energy: -111.800 tors. eta vs tors. theta energy: -189.570 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: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2295.166475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.166475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.166475 (E_RNA) where: Base-Base interactions energy: -1565.606 where: short stacking energy: -667.173 Base-Backbone interact. energy: 5.433 local terms energy: -734.993015 where: bonds (distance) C4'-P energy: -128.912 bonds (distance) P-C4' energy: -142.722 flat angles C4'-P-C4' energy: -177.039 flat angles P-C4'-P energy: -97.341 tors. eta vs tors. theta energy: -188.979 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: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1996.271733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.271733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.271733 (E_RNA) where: Base-Base interactions energy: -1351.880 where: short stacking energy: -594.443 Base-Backbone interact. energy: -3.881 local terms energy: -640.510077 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -141.366 flat angles C4'-P-C4' energy: -138.639 flat angles P-C4'-P energy: -90.554 tors. eta vs tors. theta energy: -134.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1892.812385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.812385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.812385 (E_RNA) where: Base-Base interactions energy: -1227.447 where: short stacking energy: -558.001 Base-Backbone interact. energy: 1.903 local terms energy: -667.268005 where: bonds (distance) C4'-P energy: -131.249 bonds (distance) P-C4' energy: -147.485 flat angles C4'-P-C4' energy: -149.283 flat angles P-C4'-P energy: -80.129 tors. eta vs tors. theta energy: -159.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1710.855773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.855773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.855773 (E_RNA) where: Base-Base interactions energy: -1113.107 where: short stacking energy: -477.757 Base-Backbone interact. energy: -5.838 local terms energy: -591.910499 where: bonds (distance) C4'-P energy: -120.572 bonds (distance) P-C4' energy: -147.313 flat angles C4'-P-C4' energy: -128.442 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -110.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -975.649786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.649786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.649786 (E_RNA) where: Base-Base interactions energy: -530.810 where: short stacking energy: -281.733 Base-Backbone interact. energy: 1.560 local terms energy: -446.399979 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -139.198 flat angles P-C4'-P energy: -71.998 tors. eta vs tors. theta energy: 0.686 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: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -818.973998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.973998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.973998 (E_RNA) where: Base-Base interactions energy: -390.294 where: short stacking energy: -265.991 Base-Backbone interact. energy: 5.471 local terms energy: -434.150972 where: bonds (distance) C4'-P energy: -106.215 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -104.130 flat angles P-C4'-P energy: -72.199 tors. eta vs tors. theta energy: -16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2841.260981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.260981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.260981 (E_RNA) where: Base-Base interactions energy: -1950.543 where: short stacking energy: -851.136 Base-Backbone interact. energy: -3.676 local terms energy: -887.041944 where: bonds (distance) C4'-P energy: -156.574 bonds (distance) P-C4' energy: -159.255 flat angles C4'-P-C4' energy: -192.773 flat angles P-C4'-P energy: -132.707 tors. eta vs tors. theta energy: -245.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2754.556454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.556454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.556454 (E_RNA) where: Base-Base interactions energy: -1878.253 where: short stacking energy: -760.204 Base-Backbone interact. energy: 1.482 local terms energy: -877.785427 where: bonds (distance) C4'-P energy: -185.051 bonds (distance) P-C4' energy: -166.800 flat angles C4'-P-C4' energy: -185.434 flat angles P-C4'-P energy: -116.489 tors. eta vs tors. theta energy: -224.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2744.694865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.694865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.694865 (E_RNA) where: Base-Base interactions energy: -1866.453 where: short stacking energy: -746.366 Base-Backbone interact. energy: -0.605 local terms energy: -877.637058 where: bonds (distance) C4'-P energy: -142.555 bonds (distance) P-C4' energy: -174.934 flat angles C4'-P-C4' energy: -190.608 flat angles P-C4'-P energy: -133.808 tors. eta vs tors. theta energy: -235.732 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: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2401.837591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.837591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.837591 (E_RNA) where: Base-Base interactions energy: -1642.272 where: short stacking energy: -665.150 Base-Backbone interact. energy: 0.447 local terms energy: -760.012531 where: bonds (distance) C4'-P energy: -156.458 bonds (distance) P-C4' energy: -149.608 flat angles C4'-P-C4' energy: -169.739 flat angles P-C4'-P energy: -106.915 tors. eta vs tors. theta energy: -177.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2261.279666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.279666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.279666 (E_RNA) where: Base-Base interactions energy: -1519.697 where: short stacking energy: -635.321 Base-Backbone interact. energy: -3.349 local terms energy: -738.233864 where: bonds (distance) C4'-P energy: -144.766 bonds (distance) P-C4' energy: -153.503 flat angles C4'-P-C4' energy: -179.928 flat angles P-C4'-P energy: -98.589 tors. eta vs tors. theta energy: -161.448 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: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2031.496469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.496469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.496469 (E_RNA) where: Base-Base interactions energy: -1320.388 where: short stacking energy: -596.616 Base-Backbone interact. energy: 1.467 local terms energy: -712.575690 where: bonds (distance) C4'-P energy: -141.382 bonds (distance) P-C4' energy: -159.135 flat angles C4'-P-C4' energy: -165.633 flat angles P-C4'-P energy: -95.802 tors. eta vs tors. theta energy: -150.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1904.950883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.950883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.950883 (E_RNA) where: Base-Base interactions energy: -1239.467 where: short stacking energy: -548.835 Base-Backbone interact. energy: -2.503 local terms energy: -662.980476 where: bonds (distance) C4'-P energy: -118.627 bonds (distance) P-C4' energy: -149.822 flat angles C4'-P-C4' energy: -168.646 flat angles P-C4'-P energy: -93.302 tors. eta vs tors. theta energy: -132.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1643.976707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.976707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.976707 (E_RNA) where: Base-Base interactions energy: -1073.730 where: short stacking energy: -476.044 Base-Backbone interact. energy: 4.411 local terms energy: -574.657974 where: bonds (distance) C4'-P energy: -134.341 bonds (distance) P-C4' energy: -123.498 flat angles C4'-P-C4' energy: -139.894 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -101.870 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -987.258727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.258727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.258727 (E_RNA) where: Base-Base interactions energy: -522.891 where: short stacking energy: -264.936 Base-Backbone interact. energy: -1.147 local terms energy: -463.221026 where: bonds (distance) C4'-P energy: -139.092 bonds (distance) P-C4' energy: -133.836 flat angles C4'-P-C4' energy: -124.044 flat angles P-C4'-P energy: -54.890 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: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -796.182862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.182862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.182862 (E_RNA) where: Base-Base interactions energy: -366.046 where: short stacking energy: -227.743 Base-Backbone interact. energy: -1.194 local terms energy: -428.942945 where: bonds (distance) C4'-P energy: -120.102 bonds (distance) P-C4' energy: -142.631 flat angles C4'-P-C4' energy: -100.591 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: 1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2823.753671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.753671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.753671 (E_RNA) where: Base-Base interactions energy: -1944.188 where: short stacking energy: -831.295 Base-Backbone interact. energy: -1.049 local terms energy: -878.516374 where: bonds (distance) C4'-P energy: -168.714 bonds (distance) P-C4' energy: -166.041 flat angles C4'-P-C4' energy: -186.911 flat angles P-C4'-P energy: -111.609 tors. eta vs tors. theta energy: -245.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2760.831212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.831212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.831212 (E_RNA) where: Base-Base interactions energy: -1928.774 where: short stacking energy: -797.955 Base-Backbone interact. energy: -0.729 local terms energy: -831.328440 where: bonds (distance) C4'-P energy: -153.032 bonds (distance) P-C4' energy: -157.125 flat angles C4'-P-C4' energy: -172.795 flat angles P-C4'-P energy: -107.450 tors. eta vs tors. theta energy: -240.927 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: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2764.179672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.179672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.179672 (E_RNA) where: Base-Base interactions energy: -1899.143 where: short stacking energy: -782.229 Base-Backbone interact. energy: -6.101 local terms energy: -858.935686 where: bonds (distance) C4'-P energy: -154.330 bonds (distance) P-C4' energy: -152.132 flat angles C4'-P-C4' energy: -178.958 flat angles P-C4'-P energy: -118.463 tors. eta vs tors. theta energy: -255.054 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: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2438.740965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.740965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.740965 (E_RNA) where: Base-Base interactions energy: -1682.694 where: short stacking energy: -696.349 Base-Backbone interact. energy: 1.185 local terms energy: -757.232383 where: bonds (distance) C4'-P energy: -136.425 bonds (distance) P-C4' energy: -160.125 flat angles C4'-P-C4' energy: -157.588 flat angles P-C4'-P energy: -110.948 tors. eta vs tors. theta energy: -192.146 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: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2327.747151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.747151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.747151 (E_RNA) where: Base-Base interactions energy: -1600.821 where: short stacking energy: -636.068 Base-Backbone interact. energy: -0.644 local terms energy: -726.282613 where: bonds (distance) C4'-P energy: -134.216 bonds (distance) P-C4' energy: -166.799 flat angles C4'-P-C4' energy: -165.130 flat angles P-C4'-P energy: -98.236 tors. eta vs tors. theta energy: -161.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2069.206666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.206666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.206666 (E_RNA) where: Base-Base interactions energy: -1407.719 where: short stacking energy: -595.213 Base-Backbone interact. energy: 5.103 local terms energy: -666.590546 where: bonds (distance) C4'-P energy: -140.542 bonds (distance) P-C4' energy: -141.947 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -95.374 tors. eta vs tors. theta energy: -150.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1936.065907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.065907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.065907 (E_RNA) where: Base-Base interactions energy: -1271.088 where: short stacking energy: -531.868 Base-Backbone interact. energy: -3.666 local terms energy: -661.312077 where: bonds (distance) C4'-P energy: -130.145 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -156.558 flat angles P-C4'-P energy: -84.549 tors. eta vs tors. theta energy: -144.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1589.061115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.061115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.061115 (E_RNA) where: Base-Base interactions energy: -1006.987 where: short stacking energy: -475.171 Base-Backbone interact. energy: -2.514 local terms energy: -579.560060 where: bonds (distance) C4'-P energy: -123.667 bonds (distance) P-C4' energy: -141.240 flat angles C4'-P-C4' energy: -125.593 flat angles P-C4'-P energy: -90.829 tors. eta vs tors. theta energy: -98.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -968.882768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.882768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.882768 (E_RNA) where: Base-Base interactions energy: -518.811 where: short stacking energy: -281.268 Base-Backbone interact. energy: 3.065 local terms energy: -453.136772 where: bonds (distance) C4'-P energy: -128.285 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -752.507190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.507190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.507190 (E_RNA) where: Base-Base interactions energy: -339.820 where: short stacking energy: -209.392 Base-Backbone interact. energy: 6.302 local terms energy: -418.989204 where: bonds (distance) C4'-P energy: -127.069 bonds (distance) P-C4' energy: -135.603 flat angles C4'-P-C4' energy: -124.532 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: 20.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2847.110488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.110488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.110488 (E_RNA) where: Base-Base interactions energy: -1951.312 where: short stacking energy: -858.895 Base-Backbone interact. energy: -1.563 local terms energy: -894.235712 where: bonds (distance) C4'-P energy: -147.600 bonds (distance) P-C4' energy: -172.481 flat angles C4'-P-C4' energy: -192.953 flat angles P-C4'-P energy: -135.341 tors. eta vs tors. theta energy: -245.861 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: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2844.365148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.365148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.365148 (E_RNA) where: Base-Base interactions energy: -1949.665 where: short stacking energy: -804.244 Base-Backbone interact. energy: -4.018 local terms energy: -890.681661 where: bonds (distance) C4'-P energy: -161.046 bonds (distance) P-C4' energy: -167.781 flat angles C4'-P-C4' energy: -183.653 flat angles P-C4'-P energy: -120.238 tors. eta vs tors. theta energy: -257.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2710.866596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.866596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.866596 (E_RNA) where: Base-Base interactions energy: -1884.982 where: short stacking energy: -774.706 Base-Backbone interact. energy: 0.886 local terms energy: -826.770090 where: bonds (distance) C4'-P energy: -140.330 bonds (distance) P-C4' energy: -158.691 flat angles C4'-P-C4' energy: -179.096 flat angles P-C4'-P energy: -115.961 tors. eta vs tors. theta energy: -232.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2448.236292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.236292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.236292 (E_RNA) where: Base-Base interactions energy: -1705.271 where: short stacking energy: -706.045 Base-Backbone interact. energy: -2.608 local terms energy: -740.356965 where: bonds (distance) C4'-P energy: -131.535 bonds (distance) P-C4' energy: -146.473 flat angles C4'-P-C4' energy: -176.947 flat angles P-C4'-P energy: -104.682 tors. eta vs tors. theta energy: -180.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2278.385107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.385107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.385107 (E_RNA) where: Base-Base interactions energy: -1552.738 where: short stacking energy: -644.953 Base-Backbone interact. energy: -1.411 local terms energy: -724.236325 where: bonds (distance) C4'-P energy: -135.557 bonds (distance) P-C4' energy: -149.499 flat angles C4'-P-C4' energy: -167.252 flat angles P-C4'-P energy: -97.633 tors. eta vs tors. theta energy: -174.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2027.405810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.405810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.405810 (E_RNA) where: Base-Base interactions energy: -1343.539 where: short stacking energy: -558.242 Base-Backbone interact. energy: 2.811 local terms energy: -686.677671 where: bonds (distance) C4'-P energy: -126.982 bonds (distance) P-C4' energy: -150.910 flat angles C4'-P-C4' energy: -151.376 flat angles P-C4'-P energy: -100.705 tors. eta vs tors. theta energy: -156.705 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: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1940.075667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.075667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.075667 (E_RNA) where: Base-Base interactions energy: -1293.212 where: short stacking energy: -566.291 Base-Backbone interact. energy: -2.883 local terms energy: -643.980712 where: bonds (distance) C4'-P energy: -122.117 bonds (distance) P-C4' energy: -131.477 flat angles C4'-P-C4' energy: -157.893 flat angles P-C4'-P energy: -103.550 tors. eta vs tors. theta energy: -128.943 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: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1673.667273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.667273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.667273 (E_RNA) where: Base-Base interactions energy: -1046.409 where: short stacking energy: -481.046 Base-Backbone interact. energy: -3.548 local terms energy: -623.711161 where: bonds (distance) C4'-P energy: -131.550 bonds (distance) P-C4' energy: -150.232 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -72.285 tors. eta vs tors. theta energy: -119.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1021.102544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.102544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.102544 (E_RNA) where: Base-Base interactions energy: -550.264 where: short stacking energy: -296.643 Base-Backbone interact. energy: -0.752 local terms energy: -470.087147 where: bonds (distance) C4'-P energy: -143.020 bonds (distance) P-C4' energy: -130.085 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -59.654 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -693.090103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.090103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.090103 (E_RNA) where: Base-Base interactions energy: -286.485 where: short stacking energy: -167.005 Base-Backbone interact. energy: 0.673 local terms energy: -407.278589 where: bonds (distance) C4'-P energy: -117.635 bonds (distance) P-C4' energy: -144.438 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -82.456 tors. eta vs tors. theta energy: 37.927 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: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2836.818949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.818949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.818949 (E_RNA) where: Base-Base interactions energy: -1947.201 where: short stacking energy: -841.286 Base-Backbone interact. energy: -3.926 local terms energy: -885.692021 where: bonds (distance) C4'-P energy: -168.926 bonds (distance) P-C4' energy: -163.845 flat angles C4'-P-C4' energy: -188.440 flat angles P-C4'-P energy: -119.666 tors. eta vs tors. theta energy: -244.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2790.284965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.284965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.284965 (E_RNA) where: Base-Base interactions energy: -1903.791 where: short stacking energy: -823.398 Base-Backbone interact. energy: -4.681 local terms energy: -881.812494 where: bonds (distance) C4'-P energy: -162.816 bonds (distance) P-C4' energy: -173.731 flat angles C4'-P-C4' energy: -182.688 flat angles P-C4'-P energy: -105.374 tors. eta vs tors. theta energy: -257.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2659.330417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.330417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.330417 (E_RNA) where: Base-Base interactions energy: -1838.714 where: short stacking energy: -722.282 Base-Backbone interact. energy: -2.897 local terms energy: -817.719192 where: bonds (distance) C4'-P energy: -154.964 bonds (distance) P-C4' energy: -159.026 flat angles C4'-P-C4' energy: -172.264 flat angles P-C4'-P energy: -114.736 tors. eta vs tors. theta energy: -216.729 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: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2456.197318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.197318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.197318 (E_RNA) where: Base-Base interactions energy: -1674.677 where: short stacking energy: -709.411 Base-Backbone interact. energy: -4.084 local terms energy: -777.436107 where: bonds (distance) C4'-P energy: -151.546 bonds (distance) P-C4' energy: -151.766 flat angles C4'-P-C4' energy: -163.272 flat angles P-C4'-P energy: -117.825 tors. eta vs tors. theta energy: -193.028 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: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2308.739711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.739711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.739711 (E_RNA) where: Base-Base interactions energy: -1569.748 where: short stacking energy: -641.689 Base-Backbone interact. energy: -4.480 local terms energy: -734.511232 where: bonds (distance) C4'-P energy: -132.609 bonds (distance) P-C4' energy: -139.847 flat angles C4'-P-C4' energy: -165.827 flat angles P-C4'-P energy: -120.363 tors. eta vs tors. theta energy: -175.865 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: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1979.577551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.577551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.577551 (E_RNA) where: Base-Base interactions energy: -1290.653 where: short stacking energy: -546.869 Base-Backbone interact. energy: -3.813 local terms energy: -685.111435 where: bonds (distance) C4'-P energy: -148.916 bonds (distance) P-C4' energy: -156.394 flat angles C4'-P-C4' energy: -140.661 flat angles P-C4'-P energy: -87.905 tors. eta vs tors. theta energy: -151.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1960.808410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.808410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.808410 (E_RNA) where: Base-Base interactions energy: -1288.438 where: short stacking energy: -543.940 Base-Backbone interact. energy: 6.429 local terms energy: -678.798695 where: bonds (distance) C4'-P energy: -142.888 bonds (distance) P-C4' energy: -144.567 flat angles C4'-P-C4' energy: -156.943 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -129.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1622.855323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.855323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.855323 (E_RNA) where: Base-Base interactions energy: -1035.781 where: short stacking energy: -475.589 Base-Backbone interact. energy: 1.152 local terms energy: -588.226455 where: bonds (distance) C4'-P energy: -113.340 bonds (distance) P-C4' energy: -130.131 flat angles C4'-P-C4' energy: -157.356 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -108.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -998.593287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.593287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.593287 (E_RNA) where: Base-Base interactions energy: -513.532 where: short stacking energy: -266.057 Base-Backbone interact. energy: -0.618 local terms energy: -484.443255 where: bonds (distance) C4'-P energy: -136.546 bonds (distance) P-C4' energy: -140.793 flat angles C4'-P-C4' energy: -124.687 flat angles P-C4'-P energy: -76.317 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -726.035673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.035673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.035673 (E_RNA) where: Base-Base interactions energy: -294.156 where: short stacking energy: -199.297 Base-Backbone interact. energy: 5.026 local terms energy: -436.906514 where: bonds (distance) C4'-P energy: -137.567 bonds (distance) P-C4' energy: -155.967 flat angles C4'-P-C4' energy: -115.886 flat angles P-C4'-P energy: -68.906 tors. eta vs tors. theta energy: 41.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2856.123142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.123142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.123142 (E_RNA) where: Base-Base interactions energy: -1947.978 where: short stacking energy: -830.114 Base-Backbone interact. energy: -2.742 local terms energy: -905.402684 where: bonds (distance) C4'-P energy: -162.505 bonds (distance) P-C4' energy: -167.682 flat angles C4'-P-C4' energy: -190.184 flat angles P-C4'-P energy: -137.966 tors. eta vs tors. theta energy: -247.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2785.097099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.097099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.097099 (E_RNA) where: Base-Base interactions energy: -1907.542 where: short stacking energy: -797.140 Base-Backbone interact. energy: -1.890 local terms energy: -875.665863 where: bonds (distance) C4'-P energy: -137.007 bonds (distance) P-C4' energy: -158.844 flat angles C4'-P-C4' energy: -189.224 flat angles P-C4'-P energy: -141.939 tors. eta vs tors. theta energy: -248.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2672.209437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.209437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.209437 (E_RNA) where: Base-Base interactions energy: -1833.405 where: short stacking energy: -782.758 Base-Backbone interact. energy: -3.685 local terms energy: -835.119363 where: bonds (distance) C4'-P energy: -154.526 bonds (distance) P-C4' energy: -145.851 flat angles C4'-P-C4' energy: -184.678 flat angles P-C4'-P energy: -112.815 tors. eta vs tors. theta energy: -237.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2471.042957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.042957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.042957 (E_RNA) where: Base-Base interactions energy: -1693.194 where: short stacking energy: -724.737 Base-Backbone interact. energy: -4.445 local terms energy: -773.404725 where: bonds (distance) C4'-P energy: -148.685 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -164.994 flat angles P-C4'-P energy: -113.970 tors. eta vs tors. theta energy: -203.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2336.660386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.660386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.660386 (E_RNA) where: Base-Base interactions energy: -1562.774 where: short stacking energy: -653.332 Base-Backbone interact. energy: -0.252 local terms energy: -773.634583 where: bonds (distance) C4'-P energy: -139.107 bonds (distance) P-C4' energy: -175.734 flat angles C4'-P-C4' energy: -167.347 flat angles P-C4'-P energy: -118.301 tors. eta vs tors. theta energy: -173.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1999.800479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.800479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.800479 (E_RNA) where: Base-Base interactions energy: -1332.087 where: short stacking energy: -567.780 Base-Backbone interact. energy: 2.045 local terms energy: -669.759018 where: bonds (distance) C4'-P energy: -114.976 bonds (distance) P-C4' energy: -149.240 flat angles C4'-P-C4' energy: -161.535 flat angles P-C4'-P energy: -98.674 tors. eta vs tors. theta energy: -145.334 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: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1936.387915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.387915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.387915 (E_RNA) where: Base-Base interactions energy: -1293.854 where: short stacking energy: -559.768 Base-Backbone interact. energy: -2.675 local terms energy: -639.858163 where: bonds (distance) C4'-P energy: -116.332 bonds (distance) P-C4' energy: -137.298 flat angles C4'-P-C4' energy: -165.915 flat angles P-C4'-P energy: -93.052 tors. eta vs tors. theta energy: -127.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1641.181512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.181512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.181512 (E_RNA) where: Base-Base interactions energy: -1006.804 where: short stacking energy: -455.824 Base-Backbone interact. energy: -0.832 local terms energy: -633.545220 where: bonds (distance) C4'-P energy: -152.161 bonds (distance) P-C4' energy: -145.868 flat angles C4'-P-C4' energy: -159.325 flat angles P-C4'-P energy: -84.392 tors. eta vs tors. theta energy: -91.800 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: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -944.669088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.669088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.669088 (E_RNA) where: Base-Base interactions energy: -497.697 where: short stacking energy: -277.883 Base-Backbone interact. energy: -1.654 local terms energy: -445.318186 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -128.975 flat angles C4'-P-C4' energy: -103.243 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: -7.631 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: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -728.034847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.034847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.034847 (E_RNA) where: Base-Base interactions energy: -309.593 where: short stacking energy: -211.373 Base-Backbone interact. energy: 0.432 local terms energy: -418.873137 where: bonds (distance) C4'-P energy: -151.558 bonds (distance) P-C4' energy: -120.756 flat angles C4'-P-C4' energy: -98.793 flat angles P-C4'-P energy: -57.160 tors. eta vs tors. theta energy: 9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2844.521782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.521782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.521782 (E_RNA) where: Base-Base interactions energy: -1945.678 where: short stacking energy: -822.189 Base-Backbone interact. energy: -3.454 local terms energy: -895.389445 where: bonds (distance) C4'-P energy: -161.843 bonds (distance) P-C4' energy: -162.530 flat angles C4'-P-C4' energy: -195.517 flat angles P-C4'-P energy: -131.370 tors. eta vs tors. theta energy: -244.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2791.240518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.240518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.240518 (E_RNA) where: Base-Base interactions energy: -1918.290 where: short stacking energy: -825.825 Base-Backbone interact. energy: -2.267 local terms energy: -870.683520 where: bonds (distance) C4'-P energy: -171.001 bonds (distance) P-C4' energy: -170.306 flat angles C4'-P-C4' energy: -173.782 flat angles P-C4'-P energy: -120.858 tors. eta vs tors. theta energy: -234.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2645.066262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.066262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.066262 (E_RNA) where: Base-Base interactions energy: -1810.349 where: short stacking energy: -767.362 Base-Backbone interact. energy: -4.602 local terms energy: -830.115019 where: bonds (distance) C4'-P energy: -135.785 bonds (distance) P-C4' energy: -160.759 flat angles C4'-P-C4' energy: -170.146 flat angles P-C4'-P energy: -114.917 tors. eta vs tors. theta energy: -248.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2508.425395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.425395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.425395 (E_RNA) where: Base-Base interactions energy: -1708.424 where: short stacking energy: -709.238 Base-Backbone interact. energy: -0.949 local terms energy: -799.053215 where: bonds (distance) C4'-P energy: -139.251 bonds (distance) P-C4' energy: -134.152 flat angles C4'-P-C4' energy: -183.338 flat angles P-C4'-P energy: -125.103 tors. eta vs tors. theta energy: -217.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2366.140458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.140458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.140458 (E_RNA) where: Base-Base interactions energy: -1610.398 where: short stacking energy: -707.872 Base-Backbone interact. energy: 0.032 local terms energy: -755.774092 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -149.343 flat angles C4'-P-C4' energy: -170.199 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -195.582 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2053.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.064408 (E_RNA) where: Base-Base interactions energy: -1354.105 where: short stacking energy: -587.210 Base-Backbone interact. energy: -2.131 local terms energy: -696.827758 where: bonds (distance) C4'-P energy: -150.367 bonds (distance) P-C4' energy: -139.589 flat angles C4'-P-C4' energy: -166.344 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -148.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1876.346824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.346824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.346824 (E_RNA) where: Base-Base interactions energy: -1274.550 where: short stacking energy: -531.565 Base-Backbone interact. energy: 2.524 local terms energy: -604.321388 where: bonds (distance) C4'-P energy: -137.776 bonds (distance) P-C4' energy: -128.214 flat angles C4'-P-C4' energy: -140.567 flat angles P-C4'-P energy: -85.574 tors. eta vs tors. theta energy: -112.191 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: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1682.756199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.756199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.756199 (E_RNA) where: Base-Base interactions energy: -1088.559 where: short stacking energy: -489.740 Base-Backbone interact. energy: -1.376 local terms energy: -592.821447 where: bonds (distance) C4'-P energy: -133.011 bonds (distance) P-C4' energy: -157.474 flat angles C4'-P-C4' energy: -137.364 flat angles P-C4'-P energy: -73.235 tors. eta vs tors. theta energy: -91.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -975.056077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.056077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.056077 (E_RNA) where: Base-Base interactions energy: -458.278 where: short stacking energy: -262.961 Base-Backbone interact. energy: -0.796 local terms energy: -515.982292 where: bonds (distance) C4'-P energy: -143.901 bonds (distance) P-C4' energy: -158.094 flat angles C4'-P-C4' energy: -126.955 flat angles P-C4'-P energy: -79.361 tors. eta vs tors. theta energy: -7.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -699.173497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.173497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.173497 (E_RNA) where: Base-Base interactions energy: -327.205 where: short stacking energy: -211.271 Base-Backbone interact. energy: -1.480 local terms energy: -370.487659 where: bonds (distance) C4'-P energy: -123.273 bonds (distance) P-C4' energy: -119.719 flat angles C4'-P-C4' energy: -103.303 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: 28.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2870.147686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.147686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.147686 (E_RNA) where: Base-Base interactions energy: -1987.652 where: short stacking energy: -853.640 Base-Backbone interact. energy: -1.719 local terms energy: -880.777159 where: bonds (distance) C4'-P energy: -159.133 bonds (distance) P-C4' energy: -164.321 flat angles C4'-P-C4' energy: -192.704 flat angles P-C4'-P energy: -120.310 tors. eta vs tors. theta energy: -244.310 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: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2775.072158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.072158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.072158 (E_RNA) where: Base-Base interactions energy: -1921.766 where: short stacking energy: -796.829 Base-Backbone interact. energy: -4.822 local terms energy: -848.483882 where: bonds (distance) C4'-P energy: -150.108 bonds (distance) P-C4' energy: -158.900 flat angles C4'-P-C4' energy: -167.306 flat angles P-C4'-P energy: -125.688 tors. eta vs tors. theta energy: -246.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2639.792809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.792809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.792809 (E_RNA) where: Base-Base interactions energy: -1822.472 where: short stacking energy: -750.792 Base-Backbone interact. energy: -3.548 local terms energy: -813.772985 where: bonds (distance) C4'-P energy: -140.946 bonds (distance) P-C4' energy: -147.995 flat angles C4'-P-C4' energy: -173.518 flat angles P-C4'-P energy: -114.178 tors. eta vs tors. theta energy: -237.136 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: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2470.611237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.611237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.611237 (E_RNA) where: Base-Base interactions energy: -1684.716 where: short stacking energy: -690.023 Base-Backbone interact. energy: 1.255 local terms energy: -787.150322 where: bonds (distance) C4'-P energy: -135.731 bonds (distance) P-C4' energy: -177.270 flat angles C4'-P-C4' energy: -166.237 flat angles P-C4'-P energy: -114.552 tors. eta vs tors. theta energy: -193.359 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: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2365.369052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.369052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.369052 (E_RNA) where: Base-Base interactions energy: -1602.224 where: short stacking energy: -682.023 Base-Backbone interact. energy: -2.760 local terms energy: -760.384887 where: bonds (distance) C4'-P energy: -153.227 bonds (distance) P-C4' energy: -161.834 flat angles C4'-P-C4' energy: -168.138 flat angles P-C4'-P energy: -88.469 tors. eta vs tors. theta energy: -188.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1949.870075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.870075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.870075 (E_RNA) where: Base-Base interactions energy: -1279.864 where: short stacking energy: -539.813 Base-Backbone interact. energy: -2.105 local terms energy: -667.901264 where: bonds (distance) C4'-P energy: -136.735 bonds (distance) P-C4' energy: -149.243 flat angles C4'-P-C4' energy: -163.356 flat angles P-C4'-P energy: -91.046 tors. eta vs tors. theta energy: -127.522 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: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1882.172607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.172607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.172607 (E_RNA) where: Base-Base interactions energy: -1285.212 where: short stacking energy: -557.274 Base-Backbone interact. energy: -0.550 local terms energy: -596.410331 where: bonds (distance) C4'-P energy: -125.969 bonds (distance) P-C4' energy: -112.507 flat angles C4'-P-C4' energy: -145.890 flat angles P-C4'-P energy: -93.289 tors. eta vs tors. theta energy: -118.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1623.411059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.411059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.411059 (E_RNA) where: Base-Base interactions energy: -1038.974 where: short stacking energy: -455.286 Base-Backbone interact. energy: -1.325 local terms energy: -583.112388 where: bonds (distance) C4'-P energy: -114.054 bonds (distance) P-C4' energy: -152.295 flat angles C4'-P-C4' energy: -155.013 flat angles P-C4'-P energy: -72.465 tors. eta vs tors. theta energy: -89.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -947.468096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.468096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.468096 (E_RNA) where: Base-Base interactions energy: -490.617 where: short stacking energy: -243.041 Base-Backbone interact. energy: 8.505 local terms energy: -465.356459 where: bonds (distance) C4'-P energy: -129.730 bonds (distance) P-C4' energy: -144.169 flat angles C4'-P-C4' energy: -146.393 flat angles P-C4'-P energy: -66.341 tors. eta vs tors. theta energy: 21.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -742.438919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.438919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.438919 (E_RNA) where: Base-Base interactions energy: -339.858 where: short stacking energy: -222.493 Base-Backbone interact. energy: 3.931 local terms energy: -406.511277 where: bonds (distance) C4'-P energy: -131.285 bonds (distance) P-C4' energy: -123.185 flat angles C4'-P-C4' energy: -118.478 flat angles P-C4'-P energy: -36.334 tors. eta vs tors. theta energy: 2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2868.523490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.523490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.523490 (E_RNA) where: Base-Base interactions energy: -1969.437 where: short stacking energy: -848.138 Base-Backbone interact. energy: 0.098 local terms energy: -899.184643 where: bonds (distance) C4'-P energy: -167.683 bonds (distance) P-C4' energy: -160.684 flat angles C4'-P-C4' energy: -194.282 flat angles P-C4'-P energy: -129.787 tors. eta vs tors. theta energy: -246.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2763.031381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.031381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.031381 (E_RNA) where: Base-Base interactions energy: -1866.707 where: short stacking energy: -787.250 Base-Backbone interact. energy: -2.204 local terms energy: -894.119869 where: bonds (distance) C4'-P energy: -167.950 bonds (distance) P-C4' energy: -172.134 flat angles C4'-P-C4' energy: -190.162 flat angles P-C4'-P energy: -119.857 tors. eta vs tors. theta energy: -244.017 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: 256 Temperature: 1.000000 Total energy: -2648.832324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.832324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.832324 (E_RNA) where: Base-Base interactions energy: -1836.171 where: short stacking energy: -786.243 Base-Backbone interact. energy: -1.233 local terms energy: -811.428653 where: bonds (distance) C4'-P energy: -137.499 bonds (distance) P-C4' energy: -150.668 flat angles C4'-P-C4' energy: -181.019 flat angles P-C4'-P energy: -108.269 tors. eta vs tors. theta energy: -233.973 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: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2460.940881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.940881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.940881 (E_RNA) where: Base-Base interactions energy: -1689.702 where: short stacking energy: -685.111 Base-Backbone interact. energy: -1.719 local terms energy: -769.519705 where: bonds (distance) C4'-P energy: -149.528 bonds (distance) P-C4' energy: -156.094 flat angles C4'-P-C4' energy: -164.499 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -198.810 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: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2316.089215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.089215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.089215 (E_RNA) where: Base-Base interactions energy: -1594.457 where: short stacking energy: -672.114 Base-Backbone interact. energy: -1.599 local terms energy: -720.032574 where: bonds (distance) C4'-P energy: -117.177 bonds (distance) P-C4' energy: -150.792 flat angles C4'-P-C4' energy: -176.842 flat angles P-C4'-P energy: -97.182 tors. eta vs tors. theta energy: -178.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1983.550959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.550959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.550959 (E_RNA) where: Base-Base interactions energy: -1311.567 where: short stacking energy: -588.486 Base-Backbone interact. energy: -2.838 local terms energy: -669.145935 where: bonds (distance) C4'-P energy: -133.340 bonds (distance) P-C4' energy: -151.402 flat angles C4'-P-C4' energy: -150.295 flat angles P-C4'-P energy: -97.044 tors. eta vs tors. theta energy: -137.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1852.036620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.036620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.036620 (E_RNA) where: Base-Base interactions energy: -1186.028 where: short stacking energy: -504.709 Base-Backbone interact. energy: -2.678 local terms energy: -663.331195 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -151.148 flat angles C4'-P-C4' energy: -160.428 flat angles P-C4'-P energy: -117.346 tors. eta vs tors. theta energy: -110.733 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: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1559.484366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.484366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.484366 (E_RNA) where: Base-Base interactions energy: -962.269 where: short stacking energy: -430.475 Base-Backbone interact. energy: -3.138 local terms energy: -594.077982 where: bonds (distance) C4'-P energy: -132.713 bonds (distance) P-C4' energy: -130.689 flat angles C4'-P-C4' energy: -126.284 flat angles P-C4'-P energy: -105.533 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: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -953.187952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.187952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.187952 (E_RNA) where: Base-Base interactions energy: -511.093 where: short stacking energy: -255.458 Base-Backbone interact. energy: 4.161 local terms energy: -446.256371 where: bonds (distance) C4'-P energy: -133.961 bonds (distance) P-C4' energy: -125.282 flat angles C4'-P-C4' energy: -123.676 flat angles P-C4'-P energy: -59.995 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -780.400731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.400731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.400731 (E_RNA) where: Base-Base interactions energy: -349.003 where: short stacking energy: -220.520 Base-Backbone interact. energy: -0.093 local terms energy: -431.304877 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -130.797 flat angles C4'-P-C4' energy: -133.400 flat angles P-C4'-P energy: -60.773 tors. eta vs tors. theta energy: 24.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2885.913516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.913516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.913516 (E_RNA) where: Base-Base interactions energy: -1960.242 where: short stacking energy: -859.286 Base-Backbone interact. energy: -2.663 local terms energy: -923.008366 where: bonds (distance) C4'-P energy: -167.740 bonds (distance) P-C4' energy: -173.640 flat angles C4'-P-C4' energy: -200.366 flat angles P-C4'-P energy: -129.419 tors. eta vs tors. theta energy: -251.844 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: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2839.241585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.241585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.241585 (E_RNA) where: Base-Base interactions energy: -1975.764 where: short stacking energy: -816.724 Base-Backbone interact. energy: 0.047 local terms energy: -863.524616 where: bonds (distance) C4'-P energy: -164.263 bonds (distance) P-C4' energy: -157.800 flat angles C4'-P-C4' energy: -189.856 flat angles P-C4'-P energy: -111.377 tors. eta vs tors. theta energy: -240.229 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: 257 Temperature: 1.000000 Total energy: -2623.509410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.509410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.509410 (E_RNA) where: Base-Base interactions energy: -1807.310 where: short stacking energy: -756.159 Base-Backbone interact. energy: -4.567 local terms energy: -811.632174 where: bonds (distance) C4'-P energy: -153.217 bonds (distance) P-C4' energy: -144.913 flat angles C4'-P-C4' energy: -163.825 flat angles P-C4'-P energy: -121.738 tors. eta vs tors. theta energy: -227.940 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: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2459.685256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.685256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.685256 (E_RNA) where: Base-Base interactions energy: -1689.289 where: short stacking energy: -727.768 Base-Backbone interact. energy: 0.124 local terms energy: -770.521169 where: bonds (distance) C4'-P energy: -144.361 bonds (distance) P-C4' energy: -167.408 flat angles C4'-P-C4' energy: -169.033 flat angles P-C4'-P energy: -90.678 tors. eta vs tors. theta energy: -199.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2287.218390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.218390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.218390 (E_RNA) where: Base-Base interactions energy: -1548.887 where: short stacking energy: -646.674 Base-Backbone interact. energy: -1.820 local terms energy: -736.511664 where: bonds (distance) C4'-P energy: -142.237 bonds (distance) P-C4' energy: -140.366 flat angles C4'-P-C4' energy: -178.002 flat angles P-C4'-P energy: -105.430 tors. eta vs tors. theta energy: -170.476 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: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2015.891952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.891952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.891952 (E_RNA) where: Base-Base interactions energy: -1318.806 where: short stacking energy: -583.663 Base-Backbone interact. energy: 0.358 local terms energy: -697.444058 where: bonds (distance) C4'-P energy: -147.041 bonds (distance) P-C4' energy: -165.993 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -79.264 tors. eta vs tors. theta energy: -156.878 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: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1907.998445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.998445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.998445 (E_RNA) where: Base-Base interactions energy: -1279.690 where: short stacking energy: -549.890 Base-Backbone interact. energy: -2.410 local terms energy: -625.898144 where: bonds (distance) C4'-P energy: -132.290 bonds (distance) P-C4' energy: -138.750 flat angles C4'-P-C4' energy: -144.247 flat angles P-C4'-P energy: -80.776 tors. eta vs tors. theta energy: -129.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1542.994191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.994191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.994191 (E_RNA) where: Base-Base interactions energy: -988.255 where: short stacking energy: -458.533 Base-Backbone interact. energy: 0.677 local terms energy: -555.415793 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -150.670 flat angles P-C4'-P energy: -73.850 tors. eta vs tors. theta energy: -85.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -841.291350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.291350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.291350 (E_RNA) where: Base-Base interactions energy: -386.681 where: short stacking energy: -231.238 Base-Backbone interact. energy: 3.985 local terms energy: -458.595328 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -126.175 flat angles C4'-P-C4' energy: -125.844 flat angles P-C4'-P energy: -85.240 tors. eta vs tors. theta energy: 17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -764.244712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.244712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.244712 (E_RNA) where: Base-Base interactions energy: -348.672 where: short stacking energy: -227.158 Base-Backbone interact. energy: 1.255 local terms energy: -416.828034 where: bonds (distance) C4'-P energy: -122.788 bonds (distance) P-C4' energy: -135.595 flat angles C4'-P-C4' energy: -99.870 flat angles P-C4'-P energy: -71.979 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: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2855.240642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.240642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.240642 (E_RNA) where: Base-Base interactions energy: -1978.415 where: short stacking energy: -831.451 Base-Backbone interact. energy: -5.864 local terms energy: -870.961501 where: bonds (distance) C4'-P energy: -152.983 bonds (distance) P-C4' energy: -158.324 flat angles C4'-P-C4' energy: -187.758 flat angles P-C4'-P energy: -128.170 tors. eta vs tors. theta energy: -243.727 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: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2798.324693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.324693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.324693 (E_RNA) where: Base-Base interactions energy: -1937.557 where: short stacking energy: -823.716 Base-Backbone interact. energy: -0.030 local terms energy: -860.737857 where: bonds (distance) C4'-P energy: -143.712 bonds (distance) P-C4' energy: -159.180 flat angles C4'-P-C4' energy: -186.056 flat angles P-C4'-P energy: -131.356 tors. eta vs tors. theta energy: -240.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2638.129438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.129438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.129438 (E_RNA) where: Base-Base interactions energy: -1809.157 where: short stacking energy: -759.312 Base-Backbone interact. energy: -4.146 local terms energy: -824.825784 where: bonds (distance) C4'-P energy: -139.756 bonds (distance) P-C4' energy: -152.472 flat angles C4'-P-C4' energy: -180.261 flat angles P-C4'-P energy: -122.292 tors. eta vs tors. theta energy: -230.044 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: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2471.726109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.726109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.726109 (E_RNA) where: Base-Base interactions energy: -1700.020 where: short stacking energy: -715.972 Base-Backbone interact. energy: 0.087 local terms energy: -771.792572 where: bonds (distance) C4'-P energy: -145.276 bonds (distance) P-C4' energy: -142.491 flat angles C4'-P-C4' energy: -170.112 flat angles P-C4'-P energy: -118.798 tors. eta vs tors. theta energy: -195.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2292.853826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.853826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.853826 (E_RNA) where: Base-Base interactions energy: -1556.456 where: short stacking energy: -645.275 Base-Backbone interact. energy: -4.449 local terms energy: -731.949685 where: bonds (distance) C4'-P energy: -136.904 bonds (distance) P-C4' energy: -145.525 flat angles C4'-P-C4' energy: -164.674 flat angles P-C4'-P energy: -120.114 tors. eta vs tors. theta energy: -164.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2065.345571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.345571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.345571 (E_RNA) where: Base-Base interactions energy: -1376.623 where: short stacking energy: -621.355 Base-Backbone interact. energy: 4.193 local terms energy: -692.915315 where: bonds (distance) C4'-P energy: -134.580 bonds (distance) P-C4' energy: -149.686 flat angles C4'-P-C4' energy: -149.789 flat angles P-C4'-P energy: -89.307 tors. eta vs tors. theta energy: -169.554 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: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1926.857554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.857554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.857554 (E_RNA) where: Base-Base interactions energy: -1273.892 where: short stacking energy: -554.330 Base-Backbone interact. energy: -0.802 local terms energy: -652.163814 where: bonds (distance) C4'-P energy: -123.316 bonds (distance) P-C4' energy: -150.317 flat angles C4'-P-C4' energy: -150.718 flat angles P-C4'-P energy: -96.733 tors. eta vs tors. theta energy: -131.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1535.330630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.330630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.330630 (E_RNA) where: Base-Base interactions energy: -937.060 where: short stacking energy: -443.488 Base-Backbone interact. energy: -5.730 local terms energy: -592.540546 where: bonds (distance) C4'-P energy: -124.751 bonds (distance) P-C4' energy: -125.950 flat angles C4'-P-C4' energy: -142.949 flat angles P-C4'-P energy: -111.741 tors. eta vs tors. theta energy: -87.149 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: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -880.048887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.048887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.048887 (E_RNA) where: Base-Base interactions energy: -425.041 where: short stacking energy: -220.185 Base-Backbone interact. energy: 4.797 local terms energy: -459.804555 where: bonds (distance) C4'-P energy: -149.093 bonds (distance) P-C4' energy: -135.125 flat angles C4'-P-C4' energy: -107.487 flat angles P-C4'-P energy: -75.569 tors. eta vs tors. theta energy: 7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -715.949072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.949072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.949072 (E_RNA) where: Base-Base interactions energy: -328.472 where: short stacking energy: -205.626 Base-Backbone interact. energy: 2.297 local terms energy: -389.773770 where: bonds (distance) C4'-P energy: -112.435 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -126.793 flat angles P-C4'-P energy: -53.941 tors. eta vs tors. theta energy: 21.889 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: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2842.896794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.896794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.896794 (E_RNA) where: Base-Base interactions energy: -1920.981 where: short stacking energy: -834.046 Base-Backbone interact. energy: -4.845 local terms energy: -917.071307 where: bonds (distance) C4'-P energy: -167.776 bonds (distance) P-C4' energy: -187.783 flat angles C4'-P-C4' energy: -197.669 flat angles P-C4'-P energy: -126.201 tors. eta vs tors. theta energy: -237.642 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: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2853.269006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.269006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.269006 (E_RNA) where: Base-Base interactions energy: -1958.746 where: short stacking energy: -811.322 Base-Backbone interact. energy: -4.500 local terms energy: -890.023206 where: bonds (distance) C4'-P energy: -167.035 bonds (distance) P-C4' energy: -168.823 flat angles C4'-P-C4' energy: -186.133 flat angles P-C4'-P energy: -124.311 tors. eta vs tors. theta energy: -243.721 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: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2640.366949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.366949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.366949 (E_RNA) where: Base-Base interactions energy: -1824.306 where: short stacking energy: -769.213 Base-Backbone interact. energy: -1.950 local terms energy: -814.110333 where: bonds (distance) C4'-P energy: -148.074 bonds (distance) P-C4' energy: -147.652 flat angles C4'-P-C4' energy: -181.305 flat angles P-C4'-P energy: -108.564 tors. eta vs tors. theta energy: -228.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2446.200859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.200859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.200859 (E_RNA) where: Base-Base interactions energy: -1644.711 where: short stacking energy: -709.319 Base-Backbone interact. energy: 0.662 local terms energy: -802.151544 where: bonds (distance) C4'-P energy: -147.176 bonds (distance) P-C4' energy: -170.471 flat angles C4'-P-C4' energy: -170.023 flat angles P-C4'-P energy: -107.208 tors. eta vs tors. theta energy: -207.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2293.031293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.031293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.031293 (E_RNA) where: Base-Base interactions energy: -1558.310 where: short stacking energy: -683.876 Base-Backbone interact. energy: -2.022 local terms energy: -732.698643 where: bonds (distance) C4'-P energy: -125.397 bonds (distance) P-C4' energy: -152.841 flat angles C4'-P-C4' energy: -182.681 flat angles P-C4'-P energy: -91.760 tors. eta vs tors. theta energy: -180.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2044.172562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.172562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.172562 (E_RNA) where: Base-Base interactions energy: -1366.627 where: short stacking energy: -616.162 Base-Backbone interact. energy: 1.030 local terms energy: -678.575465 where: bonds (distance) C4'-P energy: -133.907 bonds (distance) P-C4' energy: -125.192 flat angles C4'-P-C4' energy: -160.889 flat angles P-C4'-P energy: -101.051 tors. eta vs tors. theta energy: -157.535 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: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1890.520175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.520175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.520175 (E_RNA) where: Base-Base interactions energy: -1249.005 where: short stacking energy: -544.293 Base-Backbone interact. energy: -3.405 local terms energy: -638.110536 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -128.527 flat angles C4'-P-C4' energy: -143.928 flat angles P-C4'-P energy: -108.961 tors. eta vs tors. theta energy: -118.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1605.122138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.122138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.122138 (E_RNA) where: Base-Base interactions energy: -1009.588 where: short stacking energy: -441.036 Base-Backbone interact. energy: -7.355 local terms energy: -588.179395 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -112.362 flat angles C4'-P-C4' energy: -140.704 flat angles P-C4'-P energy: -105.417 tors. eta vs tors. theta energy: -93.877 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: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -874.872200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.872200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.872200 (E_RNA) where: Base-Base interactions energy: -394.846 where: short stacking energy: -245.501 Base-Backbone interact. energy: -0.619 local terms energy: -479.407004 where: bonds (distance) C4'-P energy: -122.414 bonds (distance) P-C4' energy: -127.687 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -99.673 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: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -743.270514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.270514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.270514 (E_RNA) where: Base-Base interactions energy: -322.799 where: short stacking energy: -217.838 Base-Backbone interact. energy: -0.067 local terms energy: -420.405079 where: bonds (distance) C4'-P energy: -124.372 bonds (distance) P-C4' energy: -137.933 flat angles C4'-P-C4' energy: -104.303 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: 18.244 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: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2862.432419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.432419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.432419 (E_RNA) where: Base-Base interactions energy: -1964.035 where: short stacking energy: -849.673 Base-Backbone interact. energy: -2.118 local terms energy: -896.279632 where: bonds (distance) C4'-P energy: -165.005 bonds (distance) P-C4' energy: -172.362 flat angles C4'-P-C4' energy: -192.065 flat angles P-C4'-P energy: -117.653 tors. eta vs tors. theta energy: -249.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2797.791133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.791133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.791133 (E_RNA) where: Base-Base interactions energy: -1914.437 where: short stacking energy: -808.795 Base-Backbone interact. energy: -3.880 local terms energy: -879.474163 where: bonds (distance) C4'-P energy: -149.806 bonds (distance) P-C4' energy: -165.294 flat angles C4'-P-C4' energy: -187.155 flat angles P-C4'-P energy: -128.235 tors. eta vs tors. theta energy: -248.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2683.117153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.117153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.117153 (E_RNA) where: Base-Base interactions energy: -1834.887 where: short stacking energy: -775.083 Base-Backbone interact. energy: -2.199 local terms energy: -846.031641 where: bonds (distance) C4'-P energy: -143.091 bonds (distance) P-C4' energy: -158.556 flat angles C4'-P-C4' energy: -189.121 flat angles P-C4'-P energy: -115.838 tors. eta vs tors. theta energy: -239.426 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: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2443.045695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.045695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.045695 (E_RNA) where: Base-Base interactions energy: -1660.279 where: short stacking energy: -738.255 Base-Backbone interact. energy: 1.920 local terms energy: -784.686899 where: bonds (distance) C4'-P energy: -159.274 bonds (distance) P-C4' energy: -143.456 flat angles C4'-P-C4' energy: -167.730 flat angles P-C4'-P energy: -110.536 tors. eta vs tors. theta energy: -203.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2345.490772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.490772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.490772 (E_RNA) where: Base-Base interactions energy: -1583.802 where: short stacking energy: -676.168 Base-Backbone interact. energy: -0.578 local terms energy: -761.110519 where: bonds (distance) C4'-P energy: -125.846 bonds (distance) P-C4' energy: -170.173 flat angles C4'-P-C4' energy: -187.749 flat angles P-C4'-P energy: -100.272 tors. eta vs tors. theta energy: -177.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2097.343198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.343198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.343198 (E_RNA) where: Base-Base interactions energy: -1400.651 where: short stacking energy: -629.640 Base-Backbone interact. energy: -2.536 local terms energy: -694.155860 where: bonds (distance) C4'-P energy: -139.860 bonds (distance) P-C4' energy: -118.205 flat angles C4'-P-C4' energy: -166.769 flat angles P-C4'-P energy: -100.690 tors. eta vs tors. theta energy: -168.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1904.049070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.049070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.049070 (E_RNA) where: Base-Base interactions energy: -1279.744 where: short stacking energy: -550.613 Base-Backbone interact. energy: 0.689 local terms energy: -624.993686 where: bonds (distance) C4'-P energy: -140.496 bonds (distance) P-C4' energy: -115.684 flat angles C4'-P-C4' energy: -156.090 flat angles P-C4'-P energy: -86.858 tors. eta vs tors. theta energy: -125.866 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: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1533.810109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.810109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.810109 (E_RNA) where: Base-Base interactions energy: -965.944 where: short stacking energy: -449.330 Base-Backbone interact. energy: 5.222 local terms energy: -573.087584 where: bonds (distance) C4'-P energy: -108.392 bonds (distance) P-C4' energy: -142.837 flat angles C4'-P-C4' energy: -144.197 flat angles P-C4'-P energy: -87.025 tors. eta vs tors. theta energy: -90.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -871.795911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.795911 (E_RNA) where: Base-Base interactions energy: -418.345 where: short stacking energy: -249.986 Base-Backbone interact. energy: 0.613 local terms energy: -454.063338 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -145.195 flat angles C4'-P-C4' energy: -126.022 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -709.890394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.890394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.890394 (E_RNA) where: Base-Base interactions energy: -296.618 where: short stacking energy: -201.198 Base-Backbone interact. energy: 4.758 local terms energy: -418.029699 where: bonds (distance) C4'-P energy: -129.781 bonds (distance) P-C4' energy: -152.086 flat angles C4'-P-C4' energy: -106.554 flat angles P-C4'-P energy: -61.648 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: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2866.955652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.955652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.955652 (E_RNA) where: Base-Base interactions energy: -1966.839 where: short stacking energy: -849.834 Base-Backbone interact. energy: -1.989 local terms energy: -898.128145 where: bonds (distance) C4'-P energy: -163.965 bonds (distance) P-C4' energy: -167.395 flat angles C4'-P-C4' energy: -192.692 flat angles P-C4'-P energy: -120.954 tors. eta vs tors. theta energy: -253.123 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: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2825.978062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.978062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.978062 (E_RNA) where: Base-Base interactions energy: -1968.893 where: short stacking energy: -819.771 Base-Backbone interact. energy: -3.475 local terms energy: -853.610524 where: bonds (distance) C4'-P energy: -147.991 bonds (distance) P-C4' energy: -156.868 flat angles C4'-P-C4' energy: -181.914 flat angles P-C4'-P energy: -123.939 tors. eta vs tors. theta energy: -242.899 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: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2704.314092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.314092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.314092 (E_RNA) where: Base-Base interactions energy: -1835.376 where: short stacking energy: -777.352 Base-Backbone interact. energy: 1.140 local terms energy: -870.078359 where: bonds (distance) C4'-P energy: -150.367 bonds (distance) P-C4' energy: -176.052 flat angles C4'-P-C4' energy: -181.366 flat angles P-C4'-P energy: -123.953 tors. eta vs tors. theta energy: -238.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2485.956486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.956486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.956486 (E_RNA) where: Base-Base interactions energy: -1687.567 where: short stacking energy: -724.844 Base-Backbone interact. energy: -3.110 local terms energy: -795.279338 where: bonds (distance) C4'-P energy: -164.041 bonds (distance) P-C4' energy: -158.692 flat angles C4'-P-C4' energy: -182.564 flat angles P-C4'-P energy: -96.514 tors. eta vs tors. theta energy: -193.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2319.791205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.791205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.791205 (E_RNA) where: Base-Base interactions energy: -1567.244 where: short stacking energy: -660.512 Base-Backbone interact. energy: -2.416 local terms energy: -750.132110 where: bonds (distance) C4'-P energy: -135.035 bonds (distance) P-C4' energy: -167.067 flat angles C4'-P-C4' energy: -163.459 flat angles P-C4'-P energy: -111.514 tors. eta vs tors. theta energy: -173.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2145.853772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.853772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.853772 (E_RNA) where: Base-Base interactions energy: -1404.993 where: short stacking energy: -631.984 Base-Backbone interact. energy: -0.893 local terms energy: -739.968503 where: bonds (distance) C4'-P energy: -158.143 bonds (distance) P-C4' energy: -145.239 flat angles C4'-P-C4' energy: -155.214 flat angles P-C4'-P energy: -97.058 tors. eta vs tors. theta energy: -184.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1956.897170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.897170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.897170 (E_RNA) where: Base-Base interactions energy: -1275.900 where: short stacking energy: -546.562 Base-Backbone interact. energy: -2.226 local terms energy: -678.771222 where: bonds (distance) C4'-P energy: -149.689 bonds (distance) P-C4' energy: -145.519 flat angles C4'-P-C4' energy: -142.537 flat angles P-C4'-P energy: -108.722 tors. eta vs tors. theta energy: -132.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1606.849929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.849929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.849929 (E_RNA) where: Base-Base interactions energy: -1002.176 where: short stacking energy: -489.874 Base-Backbone interact. energy: -2.293 local terms energy: -602.380940 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -146.786 flat angles C4'-P-C4' energy: -153.172 flat angles P-C4'-P energy: -89.676 tors. eta vs tors. theta energy: -100.215 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: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -864.069150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.069150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.069150 (E_RNA) where: Base-Base interactions energy: -408.633 where: short stacking energy: -242.427 Base-Backbone interact. energy: -0.143 local terms energy: -455.292985 where: bonds (distance) C4'-P energy: -117.477 bonds (distance) P-C4' energy: -153.838 flat angles C4'-P-C4' energy: -104.873 flat angles P-C4'-P energy: -82.303 tors. eta vs tors. theta energy: 3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -761.900771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.900771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.900771 (E_RNA) where: Base-Base interactions energy: -347.697 where: short stacking energy: -220.881 Base-Backbone interact. energy: -3.148 local terms energy: -411.055740 where: bonds (distance) C4'-P energy: -103.503 bonds (distance) P-C4' energy: -138.132 flat angles C4'-P-C4' energy: -116.157 flat angles P-C4'-P energy: -69.851 tors. eta vs tors. theta energy: 16.587 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: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2860.090420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.090420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.090420 (E_RNA) where: Base-Base interactions energy: -1975.633 where: short stacking energy: -842.801 Base-Backbone interact. energy: -0.703 local terms energy: -883.754375 where: bonds (distance) C4'-P energy: -160.324 bonds (distance) P-C4' energy: -174.600 flat angles C4'-P-C4' energy: -192.504 flat angles P-C4'-P energy: -113.521 tors. eta vs tors. theta energy: -242.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2800.490661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.490661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.490661 (E_RNA) where: Base-Base interactions energy: -1901.655 where: short stacking energy: -812.091 Base-Backbone interact. energy: -4.635 local terms energy: -894.200034 where: bonds (distance) C4'-P energy: -175.687 bonds (distance) P-C4' energy: -163.498 flat angles C4'-P-C4' energy: -190.154 flat angles P-C4'-P energy: -115.068 tors. eta vs tors. theta energy: -249.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2676.407608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.407608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.407608 (E_RNA) where: Base-Base interactions energy: -1844.053 where: short stacking energy: -780.125 Base-Backbone interact. energy: -3.223 local terms energy: -829.132029 where: bonds (distance) C4'-P energy: -149.399 bonds (distance) P-C4' energy: -140.758 flat angles C4'-P-C4' energy: -183.144 flat angles P-C4'-P energy: -110.890 tors. eta vs tors. theta energy: -244.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2426.266755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.266755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.266755 (E_RNA) where: Base-Base interactions energy: -1655.436 where: short stacking energy: -671.238 Base-Backbone interact. energy: 4.503 local terms energy: -775.334256 where: bonds (distance) C4'-P energy: -157.610 bonds (distance) P-C4' energy: -147.612 flat angles C4'-P-C4' energy: -176.689 flat angles P-C4'-P energy: -124.179 tors. eta vs tors. theta energy: -169.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2273.950620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.950620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.950620 (E_RNA) where: Base-Base interactions energy: -1532.794 where: short stacking energy: -652.145 Base-Backbone interact. energy: -4.204 local terms energy: -736.952953 where: bonds (distance) C4'-P energy: -137.403 bonds (distance) P-C4' energy: -155.541 flat angles C4'-P-C4' energy: -158.672 flat angles P-C4'-P energy: -105.130 tors. eta vs tors. theta energy: -180.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2107.278114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.278114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.278114 (E_RNA) where: Base-Base interactions energy: -1371.224 where: short stacking energy: -608.307 Base-Backbone interact. energy: -0.620 local terms energy: -735.433592 where: bonds (distance) C4'-P energy: -160.994 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -145.497 flat angles P-C4'-P energy: -98.679 tors. eta vs tors. theta energy: -168.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1827.967832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.967832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.967832 (E_RNA) where: Base-Base interactions energy: -1182.240 where: short stacking energy: -515.260 Base-Backbone interact. energy: -1.377 local terms energy: -644.351236 where: bonds (distance) C4'-P energy: -134.357 bonds (distance) P-C4' energy: -120.636 flat angles C4'-P-C4' energy: -171.007 flat angles P-C4'-P energy: -100.222 tors. eta vs tors. theta energy: -118.130 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: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1618.946496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.946496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.946496 (E_RNA) where: Base-Base interactions energy: -1022.463 where: short stacking energy: -479.983 Base-Backbone interact. energy: -2.268 local terms energy: -594.215283 where: bonds (distance) C4'-P energy: -124.577 bonds (distance) P-C4' energy: -138.269 flat angles C4'-P-C4' energy: -141.762 flat angles P-C4'-P energy: -86.289 tors. eta vs tors. theta energy: -103.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -937.641315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.641315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.641315 (E_RNA) where: Base-Base interactions energy: -498.992 where: short stacking energy: -235.468 Base-Backbone interact. energy: 3.534 local terms energy: -442.183050 where: bonds (distance) C4'-P energy: -134.825 bonds (distance) P-C4' energy: -137.143 flat angles C4'-P-C4' energy: -115.402 flat angles P-C4'-P energy: -52.230 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -822.604511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.604511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.604511 (E_RNA) where: Base-Base interactions energy: -367.671 where: short stacking energy: -205.620 Base-Backbone interact. energy: 4.645 local terms energy: -459.578949 where: bonds (distance) C4'-P energy: -120.980 bonds (distance) P-C4' energy: -155.492 flat angles C4'-P-C4' energy: -107.921 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: 0.556 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: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2864.177232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.177232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.177232 (E_RNA) where: Base-Base interactions energy: -1970.281 where: short stacking energy: -832.577 Base-Backbone interact. energy: 3.389 local terms energy: -897.284930 where: bonds (distance) C4'-P energy: -170.260 bonds (distance) P-C4' energy: -161.127 flat angles C4'-P-C4' energy: -190.264 flat angles P-C4'-P energy: -128.510 tors. eta vs tors. theta energy: -247.124 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: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2825.083976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.083976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.083976 (E_RNA) where: Base-Base interactions energy: -1928.651 where: short stacking energy: -800.404 Base-Backbone interact. energy: -4.373 local terms energy: -892.060051 where: bonds (distance) C4'-P energy: -173.283 bonds (distance) P-C4' energy: -169.494 flat angles C4'-P-C4' energy: -167.951 flat angles P-C4'-P energy: -131.656 tors. eta vs tors. theta energy: -249.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2680.604092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.604092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.604092 (E_RNA) where: Base-Base interactions energy: -1858.403 where: short stacking energy: -759.024 Base-Backbone interact. energy: -2.700 local terms energy: -819.501473 where: bonds (distance) C4'-P energy: -147.579 bonds (distance) P-C4' energy: -144.976 flat angles C4'-P-C4' energy: -169.093 flat angles P-C4'-P energy: -119.555 tors. eta vs tors. theta energy: -238.299 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: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2479.787779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.787779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.787779 (E_RNA) where: Base-Base interactions energy: -1707.914 where: short stacking energy: -703.097 Base-Backbone interact. energy: 4.123 local terms energy: -775.996063 where: bonds (distance) C4'-P energy: -145.347 bonds (distance) P-C4' energy: -142.782 flat angles C4'-P-C4' energy: -175.550 flat angles P-C4'-P energy: -115.571 tors. eta vs tors. theta energy: -196.746 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2298.789563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.789563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.789563 (E_RNA) where: Base-Base interactions energy: -1550.714 where: short stacking energy: -697.738 Base-Backbone interact. energy: 1.826 local terms energy: -749.901745 where: bonds (distance) C4'-P energy: -155.667 bonds (distance) P-C4' energy: -153.141 flat angles C4'-P-C4' energy: -169.757 flat angles P-C4'-P energy: -86.900 tors. eta vs tors. theta energy: -184.438 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: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2113.686604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.686604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.686604 (E_RNA) where: Base-Base interactions energy: -1421.065 where: short stacking energy: -621.000 Base-Backbone interact. energy: -1.468 local terms energy: -691.153368 where: bonds (distance) C4'-P energy: -134.314 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -146.564 flat angles P-C4'-P energy: -97.954 tors. eta vs tors. theta energy: -169.012 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: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1873.294520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.294520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.294520 (E_RNA) where: Base-Base interactions energy: -1239.422 where: short stacking energy: -545.534 Base-Backbone interact. energy: -0.740 local terms energy: -633.132390 where: bonds (distance) C4'-P energy: -125.395 bonds (distance) P-C4' energy: -133.523 flat angles C4'-P-C4' energy: -133.890 flat angles P-C4'-P energy: -103.069 tors. eta vs tors. theta energy: -137.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1586.934015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.934015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.934015 (E_RNA) where: Base-Base interactions energy: -1002.533 where: short stacking energy: -447.785 Base-Backbone interact. energy: 3.751 local terms energy: -588.151865 where: bonds (distance) C4'-P energy: -136.142 bonds (distance) P-C4' energy: -125.443 flat angles C4'-P-C4' energy: -141.728 flat angles P-C4'-P energy: -87.042 tors. eta vs tors. theta energy: -97.796 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: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -834.838856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.838856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.838856 (E_RNA) where: Base-Base interactions energy: -365.400 where: short stacking energy: -208.993 Base-Backbone interact. energy: -2.489 local terms energy: -466.949556 where: bonds (distance) C4'-P energy: -128.081 bonds (distance) P-C4' energy: -153.796 flat angles C4'-P-C4' energy: -117.524 flat angles P-C4'-P energy: -71.839 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: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -779.182224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.182224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.182224 (E_RNA) where: Base-Base interactions energy: -363.682 where: short stacking energy: -222.067 Base-Backbone interact. energy: 0.577 local terms energy: -416.076608 where: bonds (distance) C4'-P energy: -141.080 bonds (distance) P-C4' energy: -114.947 flat angles C4'-P-C4' energy: -109.305 flat angles P-C4'-P energy: -70.188 tors. eta vs tors. theta energy: 19.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2839.815280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.815280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.815280 (E_RNA) where: Base-Base interactions energy: -1948.475 where: short stacking energy: -838.457 Base-Backbone interact. energy: -3.711 local terms energy: -887.629733 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -159.428 flat angles C4'-P-C4' energy: -202.488 flat angles P-C4'-P energy: -119.450 tors. eta vs tors. theta energy: -251.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2779.174634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.174634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.174634 (E_RNA) where: Base-Base interactions energy: -1908.838 where: short stacking energy: -779.233 Base-Backbone interact. energy: -4.124 local terms energy: -866.212180 where: bonds (distance) C4'-P energy: -154.346 bonds (distance) P-C4' energy: -157.466 flat angles C4'-P-C4' energy: -186.956 flat angles P-C4'-P energy: -136.000 tors. eta vs tors. theta energy: -231.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2665.980140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.980140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.980140 (E_RNA) where: Base-Base interactions energy: -1838.243 where: short stacking energy: -771.865 Base-Backbone interact. energy: -3.234 local terms energy: -824.503678 where: bonds (distance) C4'-P energy: -157.241 bonds (distance) P-C4' energy: -143.589 flat angles C4'-P-C4' energy: -173.926 flat angles P-C4'-P energy: -103.305 tors. eta vs tors. theta energy: -246.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2492.976989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.976989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.976989 (E_RNA) where: Base-Base interactions energy: -1688.649 where: short stacking energy: -671.239 Base-Backbone interact. energy: -1.227 local terms energy: -803.101416 where: bonds (distance) C4'-P energy: -140.371 bonds (distance) P-C4' energy: -166.676 flat angles C4'-P-C4' energy: -183.756 flat angles P-C4'-P energy: -116.232 tors. eta vs tors. theta energy: -196.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2311.513517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.513517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.513517 (E_RNA) where: Base-Base interactions energy: -1593.055 where: short stacking energy: -686.398 Base-Backbone interact. energy: -0.015 local terms energy: -718.442915 where: bonds (distance) C4'-P energy: -131.668 bonds (distance) P-C4' energy: -152.378 flat angles C4'-P-C4' energy: -147.758 flat angles P-C4'-P energy: -116.599 tors. eta vs tors. theta energy: -170.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2093.335180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.335180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.335180 (E_RNA) where: Base-Base interactions energy: -1407.110 where: short stacking energy: -609.214 Base-Backbone interact. energy: 2.299 local terms energy: -688.523988 where: bonds (distance) C4'-P energy: -124.113 bonds (distance) P-C4' energy: -150.095 flat angles C4'-P-C4' energy: -145.152 flat angles P-C4'-P energy: -107.959 tors. eta vs tors. theta energy: -161.205 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: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1859.425335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.425335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.425335 (E_RNA) where: Base-Base interactions energy: -1199.070 where: short stacking energy: -520.281 Base-Backbone interact. energy: 1.871 local terms energy: -662.227016 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -148.675 flat angles C4'-P-C4' energy: -154.368 flat angles P-C4'-P energy: -92.413 tors. eta vs tors. theta energy: -132.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1684.986359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.986359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.986359 (E_RNA) where: Base-Base interactions energy: -1077.028 where: short stacking energy: -466.235 Base-Backbone interact. energy: -2.391 local terms energy: -605.566861 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -140.588 flat angles C4'-P-C4' energy: -125.029 flat angles P-C4'-P energy: -103.936 tors. eta vs tors. theta energy: -99.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -848.122207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.122207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.122207 (E_RNA) where: Base-Base interactions energy: -383.364 where: short stacking energy: -213.239 Base-Backbone interact. energy: -0.476 local terms energy: -464.281975 where: bonds (distance) C4'-P energy: -154.477 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -120.637 flat angles P-C4'-P energy: -69.792 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: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -829.379287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.379287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.379287 (E_RNA) where: Base-Base interactions energy: -445.655 where: short stacking energy: -224.980 Base-Backbone interact. energy: 8.877 local terms energy: -392.600791 where: bonds (distance) C4'-P energy: -118.281 bonds (distance) P-C4' energy: -128.167 flat angles C4'-P-C4' energy: -96.669 flat angles P-C4'-P energy: -67.649 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: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2881.717605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.717605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.717605 (E_RNA) where: Base-Base interactions energy: -1987.736 where: short stacking energy: -865.031 Base-Backbone interact. energy: -3.966 local terms energy: -890.015243 where: bonds (distance) C4'-P energy: -154.495 bonds (distance) P-C4' energy: -151.013 flat angles C4'-P-C4' energy: -196.857 flat angles P-C4'-P energy: -125.046 tors. eta vs tors. theta energy: -262.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2785.286086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.286086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.286086 (E_RNA) where: Base-Base interactions energy: -1885.328 where: short stacking energy: -802.487 Base-Backbone interact. energy: -4.420 local terms energy: -895.538423 where: bonds (distance) C4'-P energy: -160.767 bonds (distance) P-C4' energy: -173.781 flat angles C4'-P-C4' energy: -189.623 flat angles P-C4'-P energy: -133.597 tors. eta vs tors. theta energy: -237.771 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: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2721.161204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.161204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.161204 (E_RNA) where: Base-Base interactions energy: -1860.271 where: short stacking energy: -771.140 Base-Backbone interact. energy: -4.091 local terms energy: -856.798981 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -165.302 flat angles C4'-P-C4' energy: -178.834 flat angles P-C4'-P energy: -110.160 tors. eta vs tors. theta energy: -248.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2487.646744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.646744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.646744 (E_RNA) where: Base-Base interactions energy: -1676.109 where: short stacking energy: -704.327 Base-Backbone interact. energy: -2.898 local terms energy: -808.640333 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -175.096 flat angles C4'-P-C4' energy: -174.082 flat angles P-C4'-P energy: -124.825 tors. eta vs tors. theta energy: -198.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2264.070432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.070432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.070432 (E_RNA) where: Base-Base interactions energy: -1514.564 where: short stacking energy: -658.733 Base-Backbone interact. energy: -0.558 local terms energy: -748.948906 where: bonds (distance) C4'-P energy: -151.728 bonds (distance) P-C4' energy: -164.328 flat angles C4'-P-C4' energy: -164.660 flat angles P-C4'-P energy: -92.475 tors. eta vs tors. theta energy: -175.759 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: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2113.640592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.640592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.640592 (E_RNA) where: Base-Base interactions energy: -1416.831 where: short stacking energy: -624.152 Base-Backbone interact. energy: -0.972 local terms energy: -695.837453 where: bonds (distance) C4'-P energy: -147.947 bonds (distance) P-C4' energy: -154.737 flat angles C4'-P-C4' energy: -135.583 flat angles P-C4'-P energy: -96.327 tors. eta vs tors. theta energy: -161.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1908.174655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.174655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.174655 (E_RNA) where: Base-Base interactions energy: -1228.158 where: short stacking energy: -516.534 Base-Backbone interact. energy: 3.995 local terms energy: -684.011442 where: bonds (distance) C4'-P energy: -143.927 bonds (distance) P-C4' energy: -135.304 flat angles C4'-P-C4' energy: -153.607 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -143.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1666.874248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.874248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.874248 (E_RNA) where: Base-Base interactions energy: -1062.428 where: short stacking energy: -475.097 Base-Backbone interact. energy: -0.040 local terms energy: -604.406926 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -143.256 flat angles C4'-P-C4' energy: -139.613 flat angles P-C4'-P energy: -86.806 tors. eta vs tors. theta energy: -107.094 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: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -887.101823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.101823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.101823 (E_RNA) where: Base-Base interactions energy: -448.006 where: short stacking energy: -289.007 Base-Backbone interact. energy: 3.816 local terms energy: -442.911636 where: bonds (distance) C4'-P energy: -118.921 bonds (distance) P-C4' energy: -137.778 flat angles C4'-P-C4' energy: -121.749 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -770.727063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.727063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.727063 (E_RNA) where: Base-Base interactions energy: -350.224 where: short stacking energy: -216.933 Base-Backbone interact. energy: 1.975 local terms energy: -422.477371 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -111.879 flat angles C4'-P-C4' energy: -124.972 flat angles P-C4'-P energy: -65.800 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2862.632355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.632355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.632355 (E_RNA) where: Base-Base interactions energy: -1967.192 where: short stacking energy: -869.369 Base-Backbone interact. energy: -3.242 local terms energy: -892.197899 where: bonds (distance) C4'-P energy: -159.259 bonds (distance) P-C4' energy: -156.561 flat angles C4'-P-C4' energy: -192.977 flat angles P-C4'-P energy: -127.953 tors. eta vs tors. theta energy: -255.447 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: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2830.391071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.391071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.391071 (E_RNA) where: Base-Base interactions energy: -1954.159 where: short stacking energy: -827.108 Base-Backbone interact. energy: -2.776 local terms energy: -873.456203 where: bonds (distance) C4'-P energy: -167.373 bonds (distance) P-C4' energy: -160.618 flat angles C4'-P-C4' energy: -168.381 flat angles P-C4'-P energy: -127.068 tors. eta vs tors. theta energy: -250.016 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: 266 Temperature: 1.000000 Total energy: -2644.968297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.968297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.968297 (E_RNA) where: Base-Base interactions energy: -1806.584 where: short stacking energy: -791.253 Base-Backbone interact. energy: -1.760 local terms energy: -836.624343 where: bonds (distance) C4'-P energy: -148.454 bonds (distance) P-C4' energy: -156.266 flat angles C4'-P-C4' energy: -178.650 flat angles P-C4'-P energy: -108.774 tors. eta vs tors. theta energy: -244.481 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: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2502.728284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.728284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.728284 (E_RNA) where: Base-Base interactions energy: -1714.359 where: short stacking energy: -704.936 Base-Backbone interact. energy: -2.960 local terms energy: -785.409256 where: bonds (distance) C4'-P energy: -136.107 bonds (distance) P-C4' energy: -172.004 flat angles C4'-P-C4' energy: -178.106 flat angles P-C4'-P energy: -106.313 tors. eta vs tors. theta energy: -192.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2297.494303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.494303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.494303 (E_RNA) where: Base-Base interactions energy: -1577.993 where: short stacking energy: -695.529 Base-Backbone interact. energy: -5.065 local terms energy: -714.436067 where: bonds (distance) C4'-P energy: -143.861 bonds (distance) P-C4' energy: -124.922 flat angles C4'-P-C4' energy: -160.019 flat angles P-C4'-P energy: -89.937 tors. eta vs tors. theta energy: -195.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2040.420851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.420851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.420851 (E_RNA) where: Base-Base interactions energy: -1349.970 where: short stacking energy: -572.008 Base-Backbone interact. energy: -1.446 local terms energy: -689.004357 where: bonds (distance) C4'-P energy: -144.788 bonds (distance) P-C4' energy: -151.790 flat angles C4'-P-C4' energy: -155.338 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -138.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1800.664931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.664931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.664931 (E_RNA) where: Base-Base interactions energy: -1161.625 where: short stacking energy: -504.229 Base-Backbone interact. energy: 0.205 local terms energy: -639.245535 where: bonds (distance) C4'-P energy: -148.058 bonds (distance) P-C4' energy: -141.567 flat angles C4'-P-C4' energy: -149.270 flat angles P-C4'-P energy: -92.083 tors. eta vs tors. theta energy: -108.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1637.959748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.959748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.959748 (E_RNA) where: Base-Base interactions energy: -1066.360 where: short stacking energy: -463.992 Base-Backbone interact. energy: 2.214 local terms energy: -573.813881 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -134.367 flat angles C4'-P-C4' energy: -139.655 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -91.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -887.946947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.946947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.946947 (E_RNA) where: Base-Base interactions energy: -432.612 where: short stacking energy: -249.053 Base-Backbone interact. energy: 2.488 local terms energy: -457.822805 where: bonds (distance) C4'-P energy: -127.200 bonds (distance) P-C4' energy: -140.428 flat angles C4'-P-C4' energy: -115.357 flat angles P-C4'-P energy: -80.000 tors. eta vs tors. theta energy: 5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -771.276656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.276656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.276656 (E_RNA) where: Base-Base interactions energy: -327.037 where: short stacking energy: -204.117 Base-Backbone interact. energy: 4.730 local terms energy: -448.969343 where: bonds (distance) C4'-P energy: -145.476 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -129.364 flat angles P-C4'-P energy: -60.515 tors. eta vs tors. theta energy: 33.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2872.087223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.087223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.087223 (E_RNA) where: Base-Base interactions energy: -1969.500 where: short stacking energy: -848.270 Base-Backbone interact. energy: -6.523 local terms energy: -896.064573 where: bonds (distance) C4'-P energy: -164.784 bonds (distance) P-C4' energy: -152.350 flat angles C4'-P-C4' energy: -192.047 flat angles P-C4'-P energy: -125.319 tors. eta vs tors. theta energy: -261.565 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: 6 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2821.568513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.568513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.568513 (E_RNA) where: Base-Base interactions energy: -1927.930 where: short stacking energy: -815.201 Base-Backbone interact. energy: -2.879 local terms energy: -890.759460 where: bonds (distance) C4'-P energy: -163.233 bonds (distance) P-C4' energy: -161.716 flat angles C4'-P-C4' energy: -197.813 flat angles P-C4'-P energy: -120.242 tors. eta vs tors. theta energy: -247.755 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: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2689.145221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.145221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.145221 (E_RNA) where: Base-Base interactions energy: -1851.360 where: short stacking energy: -764.180 Base-Backbone interact. energy: -0.794 local terms energy: -836.991829 where: bonds (distance) C4'-P energy: -148.214 bonds (distance) P-C4' energy: -164.027 flat angles C4'-P-C4' energy: -169.501 flat angles P-C4'-P energy: -120.872 tors. eta vs tors. theta energy: -234.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2516.319770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.319770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.319770 (E_RNA) where: Base-Base interactions energy: -1744.274 where: short stacking energy: -709.099 Base-Backbone interact. energy: -5.525 local terms energy: -766.521382 where: bonds (distance) C4'-P energy: -160.049 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -168.161 flat angles P-C4'-P energy: -115.438 tors. eta vs tors. theta energy: -182.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2281.738441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.738441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.738441 (E_RNA) where: Base-Base interactions energy: -1567.215 where: short stacking energy: -678.786 Base-Backbone interact. energy: 6.554 local terms energy: -721.077774 where: bonds (distance) C4'-P energy: -121.496 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -140.630 flat angles P-C4'-P energy: -120.889 tors. eta vs tors. theta energy: -180.075 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2004.344756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.344756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.344756 (E_RNA) where: Base-Base interactions energy: -1339.814 where: short stacking energy: -561.953 Base-Backbone interact. energy: -1.862 local terms energy: -662.668328 where: bonds (distance) C4'-P energy: -151.288 bonds (distance) P-C4' energy: -113.757 flat angles C4'-P-C4' energy: -153.564 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -142.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1819.559787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.559787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.559787 (E_RNA) where: Base-Base interactions energy: -1184.802 where: short stacking energy: -522.936 Base-Backbone interact. energy: -4.809 local terms energy: -629.949500 where: bonds (distance) C4'-P energy: -146.928 bonds (distance) P-C4' energy: -132.412 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -118.434 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: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1661.372679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.372679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.372679 (E_RNA) where: Base-Base interactions energy: -1063.349 where: short stacking energy: -476.011 Base-Backbone interact. energy: -5.760 local terms energy: -592.263375 where: bonds (distance) C4'-P energy: -136.262 bonds (distance) P-C4' energy: -130.560 flat angles C4'-P-C4' energy: -135.400 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -107.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -946.220471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.220471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.220471 (E_RNA) where: Base-Base interactions energy: -457.572 where: short stacking energy: -244.457 Base-Backbone interact. energy: -6.211 local terms energy: -482.437287 where: bonds (distance) C4'-P energy: -126.588 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -122.393 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -15.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -783.388175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.388175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.388175 (E_RNA) where: Base-Base interactions energy: -356.626 where: short stacking energy: -218.083 Base-Backbone interact. energy: 3.745 local terms energy: -430.507371 where: bonds (distance) C4'-P energy: -127.452 bonds (distance) P-C4' energy: -127.569 flat angles C4'-P-C4' energy: -118.769 flat angles P-C4'-P energy: -75.042 tors. eta vs tors. theta energy: 18.324 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: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2851.425520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.425520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.425520 (E_RNA) where: Base-Base interactions energy: -1976.910 where: short stacking energy: -837.027 Base-Backbone interact. energy: -6.010 local terms energy: -868.505081 where: bonds (distance) C4'-P energy: -161.175 bonds (distance) P-C4' energy: -164.622 flat angles C4'-P-C4' energy: -178.230 flat angles P-C4'-P energy: -112.746 tors. eta vs tors. theta energy: -251.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2811.881732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.881732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.881732 (E_RNA) where: Base-Base interactions energy: -1947.181 where: short stacking energy: -802.783 Base-Backbone interact. energy: -3.217 local terms energy: -861.483689 where: bonds (distance) C4'-P energy: -150.230 bonds (distance) P-C4' energy: -158.934 flat angles C4'-P-C4' energy: -186.229 flat angles P-C4'-P energy: -124.793 tors. eta vs tors. theta energy: -241.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2634.956535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.956535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.956535 (E_RNA) where: Base-Base interactions energy: -1787.077 where: short stacking energy: -756.627 Base-Backbone interact. energy: -8.704 local terms energy: -839.175858 where: bonds (distance) C4'-P energy: -166.881 bonds (distance) P-C4' energy: -152.046 flat angles C4'-P-C4' energy: -183.211 flat angles P-C4'-P energy: -114.384 tors. eta vs tors. theta energy: -222.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2500.888733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.888733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.888733 (E_RNA) where: Base-Base interactions energy: -1755.291 where: short stacking energy: -708.942 Base-Backbone interact. energy: 4.489 local terms energy: -750.086798 where: bonds (distance) C4'-P energy: -141.894 bonds (distance) P-C4' energy: -159.502 flat angles C4'-P-C4' energy: -165.606 flat angles P-C4'-P energy: -103.778 tors. eta vs tors. theta energy: -179.306 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: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2366.903561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.903561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.903561 (E_RNA) where: Base-Base interactions energy: -1588.122 where: short stacking energy: -683.212 Base-Backbone interact. energy: -0.780 local terms energy: -778.000977 where: bonds (distance) C4'-P energy: -156.867 bonds (distance) P-C4' energy: -162.192 flat angles C4'-P-C4' energy: -155.533 flat angles P-C4'-P energy: -103.026 tors. eta vs tors. theta energy: -200.383 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: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1991.318352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.318352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.318352 (E_RNA) where: Base-Base interactions energy: -1324.050 where: short stacking energy: -539.475 Base-Backbone interact. energy: -1.293 local terms energy: -665.975932 where: bonds (distance) C4'-P energy: -135.127 bonds (distance) P-C4' energy: -142.443 flat angles C4'-P-C4' energy: -157.789 flat angles P-C4'-P energy: -98.507 tors. eta vs tors. theta energy: -132.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1825.367759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.367759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.367759 (E_RNA) where: Base-Base interactions energy: -1171.663 where: short stacking energy: -522.791 Base-Backbone interact. energy: 0.172 local terms energy: -653.877147 where: bonds (distance) C4'-P energy: -124.633 bonds (distance) P-C4' energy: -152.503 flat angles C4'-P-C4' energy: -152.444 flat angles P-C4'-P energy: -96.817 tors. eta vs tors. theta energy: -127.479 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1591.728289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.728289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.728289 (E_RNA) where: Base-Base interactions energy: -1033.352 where: short stacking energy: -471.509 Base-Backbone interact. energy: 0.145 local terms energy: -558.521303 where: bonds (distance) C4'-P energy: -118.096 bonds (distance) P-C4' energy: -129.485 flat angles C4'-P-C4' energy: -148.811 flat angles P-C4'-P energy: -80.159 tors. eta vs tors. theta energy: -81.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -943.291694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.291694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.291694 (E_RNA) where: Base-Base interactions energy: -484.749 where: short stacking energy: -226.197 Base-Backbone interact. energy: 0.535 local terms energy: -459.077233 where: bonds (distance) C4'-P energy: -150.049 bonds (distance) P-C4' energy: -119.878 flat angles C4'-P-C4' energy: -122.410 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: 5.981 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: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -836.635824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.635824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.635824 (E_RNA) where: Base-Base interactions energy: -409.786 where: short stacking energy: -226.707 Base-Backbone interact. energy: 10.275 local terms energy: -437.125148 where: bonds (distance) C4'-P energy: -131.133 bonds (distance) P-C4' energy: -129.952 flat angles C4'-P-C4' energy: -115.800 flat angles P-C4'-P energy: -74.553 tors. eta vs tors. theta energy: 14.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2874.293641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.293641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.293641 (E_RNA) where: Base-Base interactions energy: -1992.530 where: short stacking energy: -876.717 Base-Backbone interact. energy: -5.695 local terms energy: -876.069181 where: bonds (distance) C4'-P energy: -156.535 bonds (distance) P-C4' energy: -149.065 flat angles C4'-P-C4' energy: -177.652 flat angles P-C4'-P energy: -134.396 tors. eta vs tors. theta energy: -258.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2833.064290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.064290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.064290 (E_RNA) where: Base-Base interactions energy: -1973.951 where: short stacking energy: -798.200 Base-Backbone interact. energy: -1.859 local terms energy: -857.254962 where: bonds (distance) C4'-P energy: -166.118 bonds (distance) P-C4' energy: -162.242 flat angles C4'-P-C4' energy: -189.079 flat angles P-C4'-P energy: -108.405 tors. eta vs tors. theta energy: -231.411 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: 269 Temperature: 1.000000 Total energy: -2670.427177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.427177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.427177 (E_RNA) where: Base-Base interactions energy: -1838.868 where: short stacking energy: -750.656 Base-Backbone interact. energy: -4.800 local terms energy: -826.760120 where: bonds (distance) C4'-P energy: -159.425 bonds (distance) P-C4' energy: -159.852 flat angles C4'-P-C4' energy: -173.729 flat angles P-C4'-P energy: -107.220 tors. eta vs tors. theta energy: -226.535 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: 269 Temperature: 1.050000 Total energy: -2497.372973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.372973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.372973 (E_RNA) where: Base-Base interactions energy: -1737.424 where: short stacking energy: -727.760 Base-Backbone interact. energy: -2.350 local terms energy: -757.599053 where: bonds (distance) C4'-P energy: -130.205 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -199.258 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -195.849 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2328.438150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.438150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.438150 (E_RNA) where: Base-Base interactions energy: -1564.396 where: short stacking energy: -674.332 Base-Backbone interact. energy: -5.698 local terms energy: -758.344614 where: bonds (distance) C4'-P energy: -148.541 bonds (distance) P-C4' energy: -155.569 flat angles C4'-P-C4' energy: -166.239 flat angles P-C4'-P energy: -104.603 tors. eta vs tors. theta energy: -183.393 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: 269 Temperature: 1.150000 Total energy: -1967.668884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.668884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.668884 (E_RNA) where: Base-Base interactions energy: -1264.996 where: short stacking energy: -552.451 Base-Backbone interact. energy: 1.514 local terms energy: -704.186841 where: bonds (distance) C4'-P energy: -143.810 bonds (distance) P-C4' energy: -145.227 flat angles C4'-P-C4' energy: -163.763 flat angles P-C4'-P energy: -112.537 tors. eta vs tors. theta energy: -138.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1831.442341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.442341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.442341 (E_RNA) where: Base-Base interactions energy: -1215.909 where: short stacking energy: -520.996 Base-Backbone interact. energy: 1.867 local terms energy: -617.399697 where: bonds (distance) C4'-P energy: -137.323 bonds (distance) P-C4' energy: -136.507 flat angles C4'-P-C4' energy: -150.235 flat angles P-C4'-P energy: -95.459 tors. eta vs tors. theta energy: -97.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1622.971933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.971933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.971933 (E_RNA) where: Base-Base interactions energy: -1022.416 where: short stacking energy: -470.843 Base-Backbone interact. energy: -7.062 local terms energy: -593.493861 where: bonds (distance) C4'-P energy: -120.515 bonds (distance) P-C4' energy: -127.936 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -110.310 tors. eta vs tors. theta energy: -91.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1018.906359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.906359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.906359 (E_RNA) where: Base-Base interactions energy: -512.673 where: short stacking energy: -276.298 Base-Backbone interact. energy: 0.923 local terms energy: -507.155972 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -155.653 flat angles C4'-P-C4' energy: -127.814 flat angles P-C4'-P energy: -85.265 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -825.031066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.031066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.031066 (E_RNA) where: Base-Base interactions energy: -396.073 where: short stacking energy: -247.871 Base-Backbone interact. energy: 2.911 local terms energy: -431.868466 where: bonds (distance) C4'-P energy: -112.120 bonds (distance) P-C4' energy: -129.789 flat angles C4'-P-C4' energy: -132.819 flat angles P-C4'-P energy: -59.135 tors. eta vs tors. theta energy: 1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2864.210931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.210931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.210931 (E_RNA) where: Base-Base interactions energy: -1970.490 where: short stacking energy: -855.502 Base-Backbone interact. energy: 0.678 local terms energy: -894.399024 where: bonds (distance) C4'-P energy: -166.039 bonds (distance) P-C4' energy: -157.602 flat angles C4'-P-C4' energy: -189.864 flat angles P-C4'-P energy: -127.509 tors. eta vs tors. theta energy: -253.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2827.396068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.396068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.396068 (E_RNA) where: Base-Base interactions energy: -1944.334 where: short stacking energy: -813.640 Base-Backbone interact. energy: -5.972 local terms energy: -877.090184 where: bonds (distance) C4'-P energy: -155.673 bonds (distance) P-C4' energy: -163.987 flat angles C4'-P-C4' energy: -192.382 flat angles P-C4'-P energy: -115.377 tors. eta vs tors. theta energy: -249.671 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: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2673.194349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.194349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.194349 (E_RNA) where: Base-Base interactions energy: -1818.162 where: short stacking energy: -748.254 Base-Backbone interact. energy: -7.333 local terms energy: -847.699259 where: bonds (distance) C4'-P energy: -158.919 bonds (distance) P-C4' energy: -155.346 flat angles C4'-P-C4' energy: -181.384 flat angles P-C4'-P energy: -125.299 tors. eta vs tors. theta energy: -226.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2487.104369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.104369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.104369 (E_RNA) where: Base-Base interactions energy: -1705.643 where: short stacking energy: -694.850 Base-Backbone interact. energy: -2.617 local terms energy: -778.844076 where: bonds (distance) C4'-P energy: -143.483 bonds (distance) P-C4' energy: -163.210 flat angles C4'-P-C4' energy: -185.489 flat angles P-C4'-P energy: -108.778 tors. eta vs tors. theta energy: -177.884 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: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2357.642913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.642913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.642913 (E_RNA) where: Base-Base interactions energy: -1616.817 where: short stacking energy: -685.673 Base-Backbone interact. energy: 3.894 local terms energy: -744.719901 where: bonds (distance) C4'-P energy: -148.563 bonds (distance) P-C4' energy: -142.313 flat angles C4'-P-C4' energy: -154.223 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -190.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1954.682271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.682271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.682271 (E_RNA) where: Base-Base interactions energy: -1268.026 where: short stacking energy: -560.814 Base-Backbone interact. energy: -4.097 local terms energy: -682.559323 where: bonds (distance) C4'-P energy: -144.487 bonds (distance) P-C4' energy: -154.993 flat angles C4'-P-C4' energy: -149.679 flat angles P-C4'-P energy: -96.456 tors. eta vs tors. theta energy: -136.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1869.188435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.188435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.188435 (E_RNA) where: Base-Base interactions energy: -1208.879 where: short stacking energy: -539.331 Base-Backbone interact. energy: 2.667 local terms energy: -662.975889 where: bonds (distance) C4'-P energy: -131.576 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -150.333 flat angles P-C4'-P energy: -94.297 tors. eta vs tors. theta energy: -139.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1539.466896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.466896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.466896 (E_RNA) where: Base-Base interactions energy: -996.383 where: short stacking energy: -444.347 Base-Backbone interact. energy: 1.166 local terms energy: -544.250008 where: bonds (distance) C4'-P energy: -150.904 bonds (distance) P-C4' energy: -141.818 flat angles C4'-P-C4' energy: -98.481 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -76.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1101.075525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.075525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.075525 (E_RNA) where: Base-Base interactions energy: -629.915 where: short stacking energy: -320.277 Base-Backbone interact. energy: -3.759 local terms energy: -467.401571 where: bonds (distance) C4'-P energy: -113.114 bonds (distance) P-C4' energy: -130.832 flat angles C4'-P-C4' energy: -129.348 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -23.445 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: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -858.233502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.233502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.233502 (E_RNA) where: Base-Base interactions energy: -410.143 where: short stacking energy: -239.373 Base-Backbone interact. energy: -0.813 local terms energy: -447.277217 where: bonds (distance) C4'-P energy: -130.793 bonds (distance) P-C4' energy: -137.591 flat angles C4'-P-C4' energy: -120.951 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: 14.028 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: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2892.017676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.017676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.017676 (E_RNA) where: Base-Base interactions energy: -1988.667 where: short stacking energy: -848.499 Base-Backbone interact. energy: -4.195 local terms energy: -899.155079 where: bonds (distance) C4'-P energy: -166.399 bonds (distance) P-C4' energy: -165.782 flat angles C4'-P-C4' energy: -186.155 flat angles P-C4'-P energy: -117.908 tors. eta vs tors. theta energy: -262.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2812.526326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.526326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.526326 (E_RNA) where: Base-Base interactions energy: -1927.684 where: short stacking energy: -803.473 Base-Backbone interact. energy: -1.521 local terms energy: -883.320659 where: bonds (distance) C4'-P energy: -166.364 bonds (distance) P-C4' energy: -167.109 flat angles C4'-P-C4' energy: -187.882 flat angles P-C4'-P energy: -116.267 tors. eta vs tors. theta energy: -245.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2675.931090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.931090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.931090 (E_RNA) where: Base-Base interactions energy: -1836.929 where: short stacking energy: -762.954 Base-Backbone interact. energy: -4.308 local terms energy: -834.693575 where: bonds (distance) C4'-P energy: -144.544 bonds (distance) P-C4' energy: -158.247 flat angles C4'-P-C4' energy: -182.532 flat angles P-C4'-P energy: -120.580 tors. eta vs tors. theta energy: -228.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2501.931298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.931298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.931298 (E_RNA) where: Base-Base interactions energy: -1720.365 where: short stacking energy: -713.000 Base-Backbone interact. energy: 2.957 local terms energy: -784.523477 where: bonds (distance) C4'-P energy: -151.259 bonds (distance) P-C4' energy: -151.099 flat angles C4'-P-C4' energy: -169.144 flat angles P-C4'-P energy: -110.539 tors. eta vs tors. theta energy: -202.483 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: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2365.921889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.921889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.921889 (E_RNA) where: Base-Base interactions energy: -1589.117 where: short stacking energy: -701.616 Base-Backbone interact. energy: 5.187 local terms energy: -781.991717 where: bonds (distance) C4'-P energy: -146.574 bonds (distance) P-C4' energy: -157.345 flat angles C4'-P-C4' energy: -179.303 flat angles P-C4'-P energy: -97.035 tors. eta vs tors. theta energy: -201.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2013.520684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.520684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.520684 (E_RNA) where: Base-Base interactions energy: -1337.368 where: short stacking energy: -571.024 Base-Backbone interact. energy: -0.473 local terms energy: -675.679516 where: bonds (distance) C4'-P energy: -141.700 bonds (distance) P-C4' energy: -130.222 flat angles C4'-P-C4' energy: -159.416 flat angles P-C4'-P energy: -93.018 tors. eta vs tors. theta energy: -151.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1916.230362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.230362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.230362 (E_RNA) where: Base-Base interactions energy: -1275.406 where: short stacking energy: -534.407 Base-Backbone interact. energy: -3.818 local terms energy: -637.006050 where: bonds (distance) C4'-P energy: -126.937 bonds (distance) P-C4' energy: -130.840 flat angles C4'-P-C4' energy: -157.700 flat angles P-C4'-P energy: -85.889 tors. eta vs tors. theta energy: -135.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1603.904100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.904100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.904100 (E_RNA) where: Base-Base interactions energy: -1029.608 where: short stacking energy: -475.372 Base-Backbone interact. energy: 3.304 local terms energy: -577.599665 where: bonds (distance) C4'-P energy: -141.651 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -129.598 flat angles P-C4'-P energy: -80.653 tors. eta vs tors. theta energy: -97.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1045.784845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.784845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.784845 (E_RNA) where: Base-Base interactions energy: -542.147 where: short stacking energy: -280.775 Base-Backbone interact. energy: 0.757 local terms energy: -504.395153 where: bonds (distance) C4'-P energy: -135.807 bonds (distance) P-C4' energy: -139.598 flat angles C4'-P-C4' energy: -124.078 flat angles P-C4'-P energy: -75.093 tors. eta vs tors. theta energy: -29.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -846.355539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.355539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.355539 (E_RNA) where: Base-Base interactions energy: -420.697 where: short stacking energy: -236.879 Base-Backbone interact. energy: 7.288 local terms energy: -432.946733 where: bonds (distance) C4'-P energy: -119.056 bonds (distance) P-C4' energy: -125.491 flat angles C4'-P-C4' energy: -123.089 flat angles P-C4'-P energy: -70.558 tors. eta vs tors. theta energy: 5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2900.840451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.840451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.840451 (E_RNA) where: Base-Base interactions energy: -2010.061 where: short stacking energy: -829.810 Base-Backbone interact. energy: -3.678 local terms energy: -887.101325 where: bonds (distance) C4'-P energy: -153.993 bonds (distance) P-C4' energy: -157.511 flat angles C4'-P-C4' energy: -178.180 flat angles P-C4'-P energy: -138.483 tors. eta vs tors. theta energy: -258.935 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: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2811.875234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.875234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.875234 (E_RNA) where: Base-Base interactions energy: -1924.933 where: short stacking energy: -796.792 Base-Backbone interact. energy: -4.256 local terms energy: -882.686483 where: bonds (distance) C4'-P energy: -163.721 bonds (distance) P-C4' energy: -167.416 flat angles C4'-P-C4' energy: -198.911 flat angles P-C4'-P energy: -114.437 tors. eta vs tors. theta energy: -238.201 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: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2662.868736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.868736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.868736 (E_RNA) where: Base-Base interactions energy: -1828.553 where: short stacking energy: -756.950 Base-Backbone interact. energy: -4.249 local terms energy: -830.067461 where: bonds (distance) C4'-P energy: -152.593 bonds (distance) P-C4' energy: -151.863 flat angles C4'-P-C4' energy: -181.873 flat angles P-C4'-P energy: -117.535 tors. eta vs tors. theta energy: -226.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2521.600014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.600014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.600014 (E_RNA) where: Base-Base interactions energy: -1747.642 where: short stacking energy: -683.108 Base-Backbone interact. energy: -3.267 local terms energy: -770.690803 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -138.843 flat angles C4'-P-C4' energy: -181.588 flat angles P-C4'-P energy: -112.114 tors. eta vs tors. theta energy: -182.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2367.496488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.496488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.496488 (E_RNA) where: Base-Base interactions energy: -1609.523 where: short stacking energy: -672.200 Base-Backbone interact. energy: -0.368 local terms energy: -757.605799 where: bonds (distance) C4'-P energy: -150.873 bonds (distance) P-C4' energy: -141.603 flat angles C4'-P-C4' energy: -169.754 flat angles P-C4'-P energy: -102.736 tors. eta vs tors. theta energy: -192.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2041.512497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.512497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.512497 (E_RNA) where: Base-Base interactions energy: -1384.207 where: short stacking energy: -586.359 Base-Backbone interact. energy: 3.098 local terms energy: -660.403508 where: bonds (distance) C4'-P energy: -151.680 bonds (distance) P-C4' energy: -138.726 flat angles C4'-P-C4' energy: -147.695 flat angles P-C4'-P energy: -76.607 tors. eta vs tors. theta energy: -145.695 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: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1923.350502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.350502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.350502 (E_RNA) where: Base-Base interactions energy: -1262.977 where: short stacking energy: -565.420 Base-Backbone interact. energy: -3.193 local terms energy: -657.180589 where: bonds (distance) C4'-P energy: -149.218 bonds (distance) P-C4' energy: -140.291 flat angles C4'-P-C4' energy: -144.850 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: -136.900 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: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1541.324750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.324750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.324750 (E_RNA) where: Base-Base interactions energy: -993.681 where: short stacking energy: -453.435 Base-Backbone interact. energy: 6.013 local terms energy: -553.656321 where: bonds (distance) C4'-P energy: -126.143 bonds (distance) P-C4' energy: -137.259 flat angles C4'-P-C4' energy: -126.854 flat angles P-C4'-P energy: -73.498 tors. eta vs tors. theta energy: -89.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1007.522726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.522726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.522726 (E_RNA) where: Base-Base interactions energy: -545.583 where: short stacking energy: -257.215 Base-Backbone interact. energy: -1.002 local terms energy: -460.937511 where: bonds (distance) C4'-P energy: -126.667 bonds (distance) P-C4' energy: -129.510 flat angles C4'-P-C4' energy: -124.855 flat angles P-C4'-P energy: -69.628 tors. eta vs tors. theta energy: -10.278 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: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -720.141229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.141229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.141229 (E_RNA) where: Base-Base interactions energy: -293.747 where: short stacking energy: -175.997 Base-Backbone interact. energy: -0.797 local terms energy: -425.597197 where: bonds (distance) C4'-P energy: -138.630 bonds (distance) P-C4' energy: -137.914 flat angles C4'-P-C4' energy: -124.238 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: 30.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2887.208905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.208905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.208905 (E_RNA) where: Base-Base interactions energy: -1976.988 where: short stacking energy: -853.520 Base-Backbone interact. energy: -3.256 local terms energy: -906.965714 where: bonds (distance) C4'-P energy: -163.392 bonds (distance) P-C4' energy: -164.638 flat angles C4'-P-C4' energy: -193.670 flat angles P-C4'-P energy: -133.188 tors. eta vs tors. theta energy: -252.077 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: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2782.750388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.750388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.750388 (E_RNA) where: Base-Base interactions energy: -1960.463 where: short stacking energy: -826.678 Base-Backbone interact. energy: 1.002 local terms energy: -823.289210 where: bonds (distance) C4'-P energy: -155.648 bonds (distance) P-C4' energy: -153.755 flat angles C4'-P-C4' energy: -176.785 flat angles P-C4'-P energy: -96.681 tors. eta vs tors. theta energy: -240.421 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: 273 Temperature: 1.000000 Total energy: -2621.208436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.208436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.208436 (E_RNA) where: Base-Base interactions energy: -1785.498 where: short stacking energy: -760.490 Base-Backbone interact. energy: -1.812 local terms energy: -833.898622 where: bonds (distance) C4'-P energy: -150.518 bonds (distance) P-C4' energy: -155.932 flat angles C4'-P-C4' energy: -195.273 flat angles P-C4'-P energy: -110.740 tors. eta vs tors. theta energy: -221.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2500.172516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.172516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.172516 (E_RNA) where: Base-Base interactions energy: -1750.592 where: short stacking energy: -716.203 Base-Backbone interact. energy: -3.049 local terms energy: -746.532156 where: bonds (distance) C4'-P energy: -134.948 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -160.112 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -194.699 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: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2307.317276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.317276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.317276 (E_RNA) where: Base-Base interactions energy: -1563.511 where: short stacking energy: -673.307 Base-Backbone interact. energy: 2.912 local terms energy: -746.718111 where: bonds (distance) C4'-P energy: -130.834 bonds (distance) P-C4' energy: -168.012 flat angles C4'-P-C4' energy: -163.938 flat angles P-C4'-P energy: -109.416 tors. eta vs tors. theta energy: -174.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1983.797120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.797120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.797120 (E_RNA) where: Base-Base interactions energy: -1294.358 where: short stacking energy: -571.765 Base-Backbone interact. energy: -1.820 local terms energy: -687.619603 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -135.016 flat angles C4'-P-C4' energy: -160.015 flat angles P-C4'-P energy: -98.676 tors. eta vs tors. theta energy: -150.683 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: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1841.319827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.319827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.319827 (E_RNA) where: Base-Base interactions energy: -1181.978 where: short stacking energy: -514.143 Base-Backbone interact. energy: -2.345 local terms energy: -656.996877 where: bonds (distance) C4'-P energy: -143.255 bonds (distance) P-C4' energy: -130.391 flat angles C4'-P-C4' energy: -157.761 flat angles P-C4'-P energy: -100.049 tors. eta vs tors. theta energy: -125.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1525.218738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.218738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.218738 (E_RNA) where: Base-Base interactions energy: -943.371 where: short stacking energy: -434.308 Base-Backbone interact. energy: -2.945 local terms energy: -578.903711 where: bonds (distance) C4'-P energy: -137.246 bonds (distance) P-C4' energy: -135.296 flat angles C4'-P-C4' energy: -125.175 flat angles P-C4'-P energy: -79.354 tors. eta vs tors. theta energy: -101.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1057.002762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.002762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.002762 (E_RNA) where: Base-Base interactions energy: -557.058 where: short stacking energy: -262.329 Base-Backbone interact. energy: 3.884 local terms energy: -503.828116 where: bonds (distance) C4'-P energy: -144.197 bonds (distance) P-C4' energy: -134.790 flat angles C4'-P-C4' energy: -131.069 flat angles P-C4'-P energy: -75.232 tors. eta vs tors. theta energy: -18.540 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -717.433563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.433563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.433563 (E_RNA) where: Base-Base interactions energy: -329.860 where: short stacking energy: -244.504 Base-Backbone interact. energy: 3.443 local terms energy: -391.016341 where: bonds (distance) C4'-P energy: -152.618 bonds (distance) P-C4' energy: -121.169 flat angles C4'-P-C4' energy: -97.632 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: 38.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2905.485984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.485984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.485984 (E_RNA) where: Base-Base interactions energy: -1989.628 where: short stacking energy: -858.810 Base-Backbone interact. energy: -2.000 local terms energy: -913.858382 where: bonds (distance) C4'-P energy: -160.747 bonds (distance) P-C4' energy: -163.108 flat angles C4'-P-C4' energy: -191.958 flat angles P-C4'-P energy: -135.085 tors. eta vs tors. theta energy: -262.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2818.620720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.620720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.620720 (E_RNA) where: Base-Base interactions energy: -1949.182 where: short stacking energy: -793.565 Base-Backbone interact. energy: -4.860 local terms energy: -864.579239 where: bonds (distance) C4'-P energy: -167.380 bonds (distance) P-C4' energy: -157.163 flat angles C4'-P-C4' energy: -185.226 flat angles P-C4'-P energy: -119.995 tors. eta vs tors. theta energy: -234.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2654.235839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.235839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.235839 (E_RNA) where: Base-Base interactions energy: -1808.190 where: short stacking energy: -757.224 Base-Backbone interact. energy: -1.373 local terms energy: -844.672629 where: bonds (distance) C4'-P energy: -143.231 bonds (distance) P-C4' energy: -161.865 flat angles C4'-P-C4' energy: -176.694 flat angles P-C4'-P energy: -126.003 tors. eta vs tors. theta energy: -236.880 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: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2532.338291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.338291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.338291 (E_RNA) where: Base-Base interactions energy: -1758.257 where: short stacking energy: -729.916 Base-Backbone interact. energy: 0.730 local terms energy: -774.811855 where: bonds (distance) C4'-P energy: -141.626 bonds (distance) P-C4' energy: -131.172 flat angles C4'-P-C4' energy: -183.480 flat angles P-C4'-P energy: -112.101 tors. eta vs tors. theta energy: -206.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2300.398891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.398891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.398891 (E_RNA) where: Base-Base interactions energy: -1566.645 where: short stacking energy: -658.218 Base-Backbone interact. energy: -0.254 local terms energy: -733.499533 where: bonds (distance) C4'-P energy: -148.967 bonds (distance) P-C4' energy: -145.922 flat angles C4'-P-C4' energy: -163.764 flat angles P-C4'-P energy: -93.465 tors. eta vs tors. theta energy: -181.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2024.931120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.931120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.931120 (E_RNA) where: Base-Base interactions energy: -1332.398 where: short stacking energy: -588.838 Base-Backbone interact. energy: 12.302 local terms energy: -704.834520 where: bonds (distance) C4'-P energy: -154.452 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -149.644 flat angles P-C4'-P energy: -89.120 tors. eta vs tors. theta energy: -153.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1875.481124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.481124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.481124 (E_RNA) where: Base-Base interactions energy: -1217.292 where: short stacking energy: -533.080 Base-Backbone interact. energy: -1.153 local terms energy: -657.036397 where: bonds (distance) C4'-P energy: -130.436 bonds (distance) P-C4' energy: -143.136 flat angles C4'-P-C4' energy: -153.500 flat angles P-C4'-P energy: -106.480 tors. eta vs tors. theta energy: -123.483 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: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1542.741189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.741189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.741189 (E_RNA) where: Base-Base interactions energy: -937.669 where: short stacking energy: -431.920 Base-Backbone interact. energy: 2.257 local terms energy: -607.329690 where: bonds (distance) C4'-P energy: -147.017 bonds (distance) P-C4' energy: -132.200 flat angles C4'-P-C4' energy: -148.122 flat angles P-C4'-P energy: -87.532 tors. eta vs tors. theta energy: -92.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1074.995969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.995969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.995969 (E_RNA) where: Base-Base interactions energy: -599.562 where: short stacking energy: -281.344 Base-Backbone interact. energy: -1.755 local terms energy: -473.679011 where: bonds (distance) C4'-P energy: -128.621 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -130.467 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: -9.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -739.804288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.804288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.804288 (E_RNA) where: Base-Base interactions energy: -329.345 where: short stacking energy: -221.958 Base-Backbone interact. energy: 1.193 local terms energy: -411.652362 where: bonds (distance) C4'-P energy: -129.131 bonds (distance) P-C4' energy: -147.487 flat angles C4'-P-C4' energy: -105.189 flat angles P-C4'-P energy: -50.379 tors. eta vs tors. theta energy: 20.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2879.945240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.945240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.945240 (E_RNA) where: Base-Base interactions energy: -1980.817 where: short stacking energy: -835.633 Base-Backbone interact. energy: -1.101 local terms energy: -898.027213 where: bonds (distance) C4'-P energy: -173.618 bonds (distance) P-C4' energy: -161.485 flat angles C4'-P-C4' energy: -189.642 flat angles P-C4'-P energy: -122.269 tors. eta vs tors. theta energy: -251.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2766.860320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.860320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.860320 (E_RNA) where: Base-Base interactions energy: -1911.124 where: short stacking energy: -793.890 Base-Backbone interact. energy: -5.306 local terms energy: -850.429691 where: bonds (distance) C4'-P energy: -148.698 bonds (distance) P-C4' energy: -165.698 flat angles C4'-P-C4' energy: -185.363 flat angles P-C4'-P energy: -111.385 tors. eta vs tors. theta energy: -239.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2663.292149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.292149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.292149 (E_RNA) where: Base-Base interactions energy: -1834.437 where: short stacking energy: -759.425 Base-Backbone interact. energy: -1.473 local terms energy: -827.381890 where: bonds (distance) C4'-P energy: -157.904 bonds (distance) P-C4' energy: -158.681 flat angles C4'-P-C4' energy: -182.598 flat angles P-C4'-P energy: -110.246 tors. eta vs tors. theta energy: -217.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2483.114643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.114643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.114643 (E_RNA) where: Base-Base interactions energy: -1732.392 where: short stacking energy: -653.256 Base-Backbone interact. energy: 5.309 local terms energy: -756.031185 where: bonds (distance) C4'-P energy: -140.234 bonds (distance) P-C4' energy: -164.739 flat angles C4'-P-C4' energy: -155.986 flat angles P-C4'-P energy: -110.225 tors. eta vs tors. theta energy: -184.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2338.928065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.928065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.928065 (E_RNA) where: Base-Base interactions energy: -1564.148 where: short stacking energy: -669.688 Base-Backbone interact. energy: -3.547 local terms energy: -771.233005 where: bonds (distance) C4'-P energy: -152.399 bonds (distance) P-C4' energy: -156.759 flat angles C4'-P-C4' energy: -166.756 flat angles P-C4'-P energy: -119.589 tors. eta vs tors. theta energy: -175.731 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: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2016.563517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.563517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.563517 (E_RNA) where: Base-Base interactions energy: -1326.093 where: short stacking energy: -612.964 Base-Backbone interact. energy: -4.429 local terms energy: -686.040849 where: bonds (distance) C4'-P energy: -135.225 bonds (distance) P-C4' energy: -147.046 flat angles C4'-P-C4' energy: -147.244 flat angles P-C4'-P energy: -90.009 tors. eta vs tors. theta energy: -166.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1932.617325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.617325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.617325 (E_RNA) where: Base-Base interactions energy: -1270.323 where: short stacking energy: -561.536 Base-Backbone interact. energy: 1.506 local terms energy: -663.800413 where: bonds (distance) C4'-P energy: -128.507 bonds (distance) P-C4' energy: -147.902 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -95.667 tors. eta vs tors. theta energy: -138.041 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: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1501.492556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.492556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.492556 (E_RNA) where: Base-Base interactions energy: -906.790 where: short stacking energy: -405.579 Base-Backbone interact. energy: 0.360 local terms energy: -595.062176 where: bonds (distance) C4'-P energy: -133.199 bonds (distance) P-C4' energy: -154.186 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -99.289 tors. eta vs tors. theta energy: -64.523 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: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1050.018764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.018764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.018764 (E_RNA) where: Base-Base interactions energy: -576.037 where: short stacking energy: -313.608 Base-Backbone interact. energy: 6.644 local terms energy: -480.625694 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -149.742 flat angles C4'-P-C4' energy: -120.490 flat angles P-C4'-P energy: -65.200 tors. eta vs tors. theta energy: -25.876 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: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -720.009517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.009517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.009517 (E_RNA) where: Base-Base interactions energy: -305.011 where: short stacking energy: -188.926 Base-Backbone interact. energy: 1.769 local terms energy: -416.768433 where: bonds (distance) C4'-P energy: -129.820 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -112.722 flat angles P-C4'-P energy: -52.509 tors. eta vs tors. theta energy: 26.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2872.421734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.421734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.421734 (E_RNA) where: Base-Base interactions energy: -1979.202 where: short stacking energy: -846.431 Base-Backbone interact. energy: -2.751 local terms energy: -890.468151 where: bonds (distance) C4'-P energy: -162.519 bonds (distance) P-C4' energy: -166.434 flat angles C4'-P-C4' energy: -193.208 flat angles P-C4'-P energy: -107.879 tors. eta vs tors. theta energy: -260.428 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: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2781.503032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.503032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.503032 (E_RNA) where: Base-Base interactions energy: -1912.142 where: short stacking energy: -799.126 Base-Backbone interact. energy: -5.100 local terms energy: -864.260943 where: bonds (distance) C4'-P energy: -158.673 bonds (distance) P-C4' energy: -142.935 flat angles C4'-P-C4' energy: -191.983 flat angles P-C4'-P energy: -132.599 tors. eta vs tors. theta energy: -238.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2624.403657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.403657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.403657 (E_RNA) where: Base-Base interactions energy: -1787.537 where: short stacking energy: -750.967 Base-Backbone interact. energy: 3.588 local terms energy: -840.454671 where: bonds (distance) C4'-P energy: -146.277 bonds (distance) P-C4' energy: -165.873 flat angles C4'-P-C4' energy: -191.104 flat angles P-C4'-P energy: -105.754 tors. eta vs tors. theta energy: -231.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2522.064393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.064393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.064393 (E_RNA) where: Base-Base interactions energy: -1724.984 where: short stacking energy: -676.034 Base-Backbone interact. energy: 1.271 local terms energy: -798.351145 where: bonds (distance) C4'-P energy: -159.741 bonds (distance) P-C4' energy: -156.197 flat angles C4'-P-C4' energy: -182.004 flat angles P-C4'-P energy: -117.627 tors. eta vs tors. theta energy: -182.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2307.375291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.375291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.375291 (E_RNA) where: Base-Base interactions energy: -1576.253 where: short stacking energy: -657.196 Base-Backbone interact. energy: -0.739 local terms energy: -730.383375 where: bonds (distance) C4'-P energy: -138.432 bonds (distance) P-C4' energy: -152.837 flat angles C4'-P-C4' energy: -152.339 flat angles P-C4'-P energy: -98.773 tors. eta vs tors. theta energy: -188.002 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: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2055.734017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.734017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.734017 (E_RNA) where: Base-Base interactions energy: -1389.259 where: short stacking energy: -575.673 Base-Backbone interact. energy: -4.367 local terms energy: -662.107741 where: bonds (distance) C4'-P energy: -114.386 bonds (distance) P-C4' energy: -154.829 flat angles C4'-P-C4' energy: -155.274 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -130.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1873.576881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.576881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.576881 (E_RNA) where: Base-Base interactions energy: -1188.466 where: short stacking energy: -531.558 Base-Backbone interact. energy: 0.520 local terms energy: -685.631011 where: bonds (distance) C4'-P energy: -130.023 bonds (distance) P-C4' energy: -161.242 flat angles C4'-P-C4' energy: -146.680 flat angles P-C4'-P energy: -108.421 tors. eta vs tors. theta energy: -139.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1461.583845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.583845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.583845 (E_RNA) where: Base-Base interactions energy: -890.789 where: short stacking energy: -417.207 Base-Backbone interact. energy: -1.682 local terms energy: -569.112606 where: bonds (distance) C4'-P energy: -137.671 bonds (distance) P-C4' energy: -145.049 flat angles C4'-P-C4' energy: -130.578 flat angles P-C4'-P energy: -75.061 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: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -934.659661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.659661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.659661 (E_RNA) where: Base-Base interactions energy: -476.768 where: short stacking energy: -251.271 Base-Backbone interact. energy: -3.760 local terms energy: -454.131903 where: bonds (distance) C4'-P energy: -136.367 bonds (distance) P-C4' energy: -124.505 flat angles C4'-P-C4' energy: -121.947 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: 9.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -710.844666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.844666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.844666 (E_RNA) where: Base-Base interactions energy: -286.665 where: short stacking energy: -193.257 Base-Backbone interact. energy: -0.406 local terms energy: -423.773655 where: bonds (distance) C4'-P energy: -125.204 bonds (distance) P-C4' energy: -133.804 flat angles C4'-P-C4' energy: -123.200 flat angles P-C4'-P energy: -64.671 tors. eta vs tors. theta energy: 23.105 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: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2860.752591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.752591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.752591 (E_RNA) where: Base-Base interactions energy: -1952.024 where: short stacking energy: -851.023 Base-Backbone interact. energy: -2.103 local terms energy: -906.624867 where: bonds (distance) C4'-P energy: -161.516 bonds (distance) P-C4' energy: -164.318 flat angles C4'-P-C4' energy: -185.678 flat angles P-C4'-P energy: -139.467 tors. eta vs tors. theta energy: -255.645 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: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2848.746057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.746057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.746057 (E_RNA) where: Base-Base interactions energy: -1970.967 where: short stacking energy: -821.635 Base-Backbone interact. energy: -4.534 local terms energy: -873.244919 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -161.987 flat angles C4'-P-C4' energy: -181.490 flat angles P-C4'-P energy: -129.982 tors. eta vs tors. theta energy: -250.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2651.334587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.334587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.334587 (E_RNA) where: Base-Base interactions energy: -1872.356 where: short stacking energy: -764.619 Base-Backbone interact. energy: 1.088 local terms energy: -780.066131 where: bonds (distance) C4'-P energy: -151.747 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -177.473 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -215.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2479.222004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.222004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.222004 (E_RNA) where: Base-Base interactions energy: -1714.744 where: short stacking energy: -700.236 Base-Backbone interact. energy: -4.277 local terms energy: -760.200482 where: bonds (distance) C4'-P energy: -145.448 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -189.378 flat angles P-C4'-P energy: -86.411 tors. eta vs tors. theta energy: -189.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2274.353157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.353157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.353157 (E_RNA) where: Base-Base interactions energy: -1553.353 where: short stacking energy: -669.826 Base-Backbone interact. energy: -1.245 local terms energy: -719.756051 where: bonds (distance) C4'-P energy: -121.014 bonds (distance) P-C4' energy: -148.440 flat angles C4'-P-C4' energy: -172.063 flat angles P-C4'-P energy: -105.264 tors. eta vs tors. theta energy: -172.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2075.502106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.502106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.502106 (E_RNA) where: Base-Base interactions energy: -1401.972 where: short stacking energy: -602.996 Base-Backbone interact. energy: 1.221 local terms energy: -674.750808 where: bonds (distance) C4'-P energy: -128.273 bonds (distance) P-C4' energy: -150.244 flat angles C4'-P-C4' energy: -149.929 flat angles P-C4'-P energy: -102.031 tors. eta vs tors. theta energy: -144.274 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: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1899.413148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.413148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.413148 (E_RNA) where: Base-Base interactions energy: -1237.390 where: short stacking energy: -545.296 Base-Backbone interact. energy: -3.056 local terms energy: -658.966755 where: bonds (distance) C4'-P energy: -139.081 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -132.338 flat angles P-C4'-P energy: -99.552 tors. eta vs tors. theta energy: -141.940 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: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1490.985391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.985391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.985391 (E_RNA) where: Base-Base interactions energy: -918.600 where: short stacking energy: -399.310 Base-Backbone interact. energy: -1.321 local terms energy: -571.064626 where: bonds (distance) C4'-P energy: -131.876 bonds (distance) P-C4' energy: -151.570 flat angles C4'-P-C4' energy: -149.904 flat angles P-C4'-P energy: -80.811 tors. eta vs tors. theta energy: -56.904 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: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -990.783511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.783511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.783511 (E_RNA) where: Base-Base interactions energy: -515.567 where: short stacking energy: -276.577 Base-Backbone interact. energy: 1.856 local terms energy: -477.073385 where: bonds (distance) C4'-P energy: -119.645 bonds (distance) P-C4' energy: -133.308 flat angles C4'-P-C4' energy: -123.698 flat angles P-C4'-P energy: -84.389 tors. eta vs tors. theta energy: -16.034 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: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -694.784285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.784285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.784285 (E_RNA) where: Base-Base interactions energy: -270.268 where: short stacking energy: -179.081 Base-Backbone interact. energy: -1.945 local terms energy: -422.570658 where: bonds (distance) C4'-P energy: -123.377 bonds (distance) P-C4' energy: -138.774 flat angles C4'-P-C4' energy: -114.597 flat angles P-C4'-P energy: -68.391 tors. eta vs tors. theta energy: 22.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2871.870953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.870953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.870953 (E_RNA) where: Base-Base interactions energy: -1969.793 where: short stacking energy: -857.887 Base-Backbone interact. energy: 0.885 local terms energy: -902.962896 where: bonds (distance) C4'-P energy: -161.138 bonds (distance) P-C4' energy: -166.639 flat angles C4'-P-C4' energy: -195.053 flat angles P-C4'-P energy: -120.662 tors. eta vs tors. theta energy: -259.470 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: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2767.581353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.581353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.581353 (E_RNA) where: Base-Base interactions energy: -1920.774 where: short stacking energy: -820.816 Base-Backbone interact. energy: -0.874 local terms energy: -845.933757 where: bonds (distance) C4'-P energy: -154.143 bonds (distance) P-C4' energy: -152.833 flat angles C4'-P-C4' energy: -177.693 flat angles P-C4'-P energy: -117.489 tors. eta vs tors. theta energy: -243.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2680.579735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.579735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.579735 (E_RNA) where: Base-Base interactions energy: -1834.185 where: short stacking energy: -774.419 Base-Backbone interact. energy: -0.122 local terms energy: -846.273266 where: bonds (distance) C4'-P energy: -158.538 bonds (distance) P-C4' energy: -169.384 flat angles C4'-P-C4' energy: -174.439 flat angles P-C4'-P energy: -120.423 tors. eta vs tors. theta energy: -223.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2419.688423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.688423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.688423 (E_RNA) where: Base-Base interactions energy: -1660.514 where: short stacking energy: -683.408 Base-Backbone interact. energy: 4.701 local terms energy: -763.875158 where: bonds (distance) C4'-P energy: -152.031 bonds (distance) P-C4' energy: -160.351 flat angles C4'-P-C4' energy: -168.344 flat angles P-C4'-P energy: -93.156 tors. eta vs tors. theta energy: -189.993 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: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2322.022310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.022310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.022310 (E_RNA) where: Base-Base interactions energy: -1570.964 where: short stacking energy: -671.800 Base-Backbone interact. energy: -2.934 local terms energy: -748.124161 where: bonds (distance) C4'-P energy: -153.829 bonds (distance) P-C4' energy: -150.905 flat angles C4'-P-C4' energy: -171.135 flat angles P-C4'-P energy: -89.352 tors. eta vs tors. theta energy: -182.904 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: 278 Temperature: 1.150000 Total energy: -2093.585292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.585292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.585292 (E_RNA) where: Base-Base interactions energy: -1389.673 where: short stacking energy: -573.085 Base-Backbone interact. energy: -4.254 local terms energy: -699.658072 where: bonds (distance) C4'-P energy: -140.741 bonds (distance) P-C4' energy: -132.227 flat angles C4'-P-C4' energy: -169.989 flat angles P-C4'-P energy: -119.254 tors. eta vs tors. theta energy: -137.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1931.483001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.483001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.483001 (E_RNA) where: Base-Base interactions energy: -1247.487 where: short stacking energy: -563.609 Base-Backbone interact. energy: -2.783 local terms energy: -681.213909 where: bonds (distance) C4'-P energy: -128.474 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -165.891 flat angles P-C4'-P energy: -97.449 tors. eta vs tors. theta energy: -140.843 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: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1519.716998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.716998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.716998 (E_RNA) where: Base-Base interactions energy: -923.966 where: short stacking energy: -444.197 Base-Backbone interact. energy: 3.459 local terms energy: -599.210001 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -132.261 flat angles C4'-P-C4' energy: -140.121 flat angles P-C4'-P energy: -104.103 tors. eta vs tors. theta energy: -97.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -975.678584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.678584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.678584 (E_RNA) where: Base-Base interactions energy: -513.897 where: short stacking energy: -269.290 Base-Backbone interact. energy: 1.266 local terms energy: -463.047669 where: bonds (distance) C4'-P energy: -126.011 bonds (distance) P-C4' energy: -119.081 flat angles C4'-P-C4' energy: -116.087 flat angles P-C4'-P energy: -85.327 tors. eta vs tors. theta energy: -16.541 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: 278 Temperature: 1.350000 Total energy: -723.268242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.268242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.268242 (E_RNA) where: Base-Base interactions energy: -315.023 where: short stacking energy: -204.183 Base-Backbone interact. energy: -1.441 local terms energy: -406.803420 where: bonds (distance) C4'-P energy: -123.412 bonds (distance) P-C4' energy: -144.784 flat angles C4'-P-C4' energy: -110.389 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: 18.969 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: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2861.614338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.614338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.614338 (E_RNA) where: Base-Base interactions energy: -1994.726 where: short stacking energy: -833.513 Base-Backbone interact. energy: -1.699 local terms energy: -865.189319 where: bonds (distance) C4'-P energy: -143.042 bonds (distance) P-C4' energy: -165.730 flat angles C4'-P-C4' energy: -176.243 flat angles P-C4'-P energy: -121.091 tors. eta vs tors. theta energy: -259.083 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: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2759.726313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.726313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.726313 (E_RNA) where: Base-Base interactions energy: -1907.711 where: short stacking energy: -773.712 Base-Backbone interact. energy: -5.293 local terms energy: -846.722179 where: bonds (distance) C4'-P energy: -162.825 bonds (distance) P-C4' energy: -162.554 flat angles C4'-P-C4' energy: -178.028 flat angles P-C4'-P energy: -119.768 tors. eta vs tors. theta energy: -223.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2708.940236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.940236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.940236 (E_RNA) where: Base-Base interactions energy: -1851.617 where: short stacking energy: -768.777 Base-Backbone interact. energy: -5.324 local terms energy: -852.000044 where: bonds (distance) C4'-P energy: -151.494 bonds (distance) P-C4' energy: -165.532 flat angles C4'-P-C4' energy: -179.337 flat angles P-C4'-P energy: -128.429 tors. eta vs tors. theta energy: -227.209 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: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2453.121173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.121173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.121173 (E_RNA) where: Base-Base interactions energy: -1663.085 where: short stacking energy: -724.562 Base-Backbone interact. energy: 2.725 local terms energy: -792.761026 where: bonds (distance) C4'-P energy: -143.002 bonds (distance) P-C4' energy: -142.005 flat angles C4'-P-C4' energy: -182.300 flat angles P-C4'-P energy: -116.087 tors. eta vs tors. theta energy: -209.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2331.615626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.615626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.615626 (E_RNA) where: Base-Base interactions energy: -1623.827 where: short stacking energy: -639.240 Base-Backbone interact. energy: -4.551 local terms energy: -703.237681 where: bonds (distance) C4'-P energy: -142.508 bonds (distance) P-C4' energy: -127.743 flat angles C4'-P-C4' energy: -150.014 flat angles P-C4'-P energy: -113.819 tors. eta vs tors. theta energy: -169.154 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2163.379435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.379435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.379435 (E_RNA) where: Base-Base interactions energy: -1424.993 where: short stacking energy: -603.419 Base-Backbone interact. energy: -3.810 local terms energy: -734.576810 where: bonds (distance) C4'-P energy: -152.535 bonds (distance) P-C4' energy: -158.097 flat angles C4'-P-C4' energy: -168.037 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -154.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1915.494413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.494413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.494413 (E_RNA) where: Base-Base interactions energy: -1211.401 where: short stacking energy: -541.680 Base-Backbone interact. energy: -4.159 local terms energy: -699.934704 where: bonds (distance) C4'-P energy: -141.563 bonds (distance) P-C4' energy: -150.440 flat angles C4'-P-C4' energy: -147.715 flat angles P-C4'-P energy: -107.845 tors. eta vs tors. theta energy: -152.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1510.385809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.385809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.385809 (E_RNA) where: Base-Base interactions energy: -927.884 where: short stacking energy: -398.631 Base-Backbone interact. energy: -1.061 local terms energy: -581.441459 where: bonds (distance) C4'-P energy: -118.790 bonds (distance) P-C4' energy: -142.092 flat angles C4'-P-C4' energy: -149.533 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -67.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1003.602223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.602223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.602223 (E_RNA) where: Base-Base interactions energy: -521.450 where: short stacking energy: -263.817 Base-Backbone interact. energy: -0.001 local terms energy: -482.151380 where: bonds (distance) C4'-P energy: -143.262 bonds (distance) P-C4' energy: -140.787 flat angles C4'-P-C4' energy: -124.759 flat angles P-C4'-P energy: -65.772 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -765.736361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.736361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.736361 (E_RNA) where: Base-Base interactions energy: -352.568 where: short stacking energy: -231.393 Base-Backbone interact. energy: 2.430 local terms energy: -415.597944 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -132.878 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: 4.202 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: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2907.973852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.973852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.973852 (E_RNA) where: Base-Base interactions energy: -2020.492 where: short stacking energy: -854.498 Base-Backbone interact. energy: -2.705 local terms energy: -884.776922 where: bonds (distance) C4'-P energy: -152.830 bonds (distance) P-C4' energy: -163.036 flat angles C4'-P-C4' energy: -183.574 flat angles P-C4'-P energy: -125.046 tors. eta vs tors. theta energy: -260.291 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: 280 Temperature: 0.950000 Total energy: -2768.324111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.324111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.324111 (E_RNA) where: Base-Base interactions energy: -1926.044 where: short stacking energy: -822.329 Base-Backbone interact. energy: 1.436 local terms energy: -843.715580 where: bonds (distance) C4'-P energy: -155.789 bonds (distance) P-C4' energy: -159.472 flat angles C4'-P-C4' energy: -170.276 flat angles P-C4'-P energy: -118.846 tors. eta vs tors. theta energy: -239.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2724.238618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.238618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.238618 (E_RNA) where: Base-Base interactions energy: -1862.401 where: short stacking energy: -777.224 Base-Backbone interact. energy: -0.781 local terms energy: -861.056088 where: bonds (distance) C4'-P energy: -155.233 bonds (distance) P-C4' energy: -168.485 flat angles C4'-P-C4' energy: -177.229 flat angles P-C4'-P energy: -115.993 tors. eta vs tors. theta energy: -244.115 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: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2395.634603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.634603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.634603 (E_RNA) where: Base-Base interactions energy: -1617.891 where: short stacking energy: -676.728 Base-Backbone interact. energy: -5.021 local terms energy: -772.723096 where: bonds (distance) C4'-P energy: -149.836 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -172.974 flat angles P-C4'-P energy: -109.546 tors. eta vs tors. theta energy: -187.028 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: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2395.294988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.294988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.294988 (E_RNA) where: Base-Base interactions energy: -1660.624 where: short stacking energy: -656.463 Base-Backbone interact. energy: 3.230 local terms energy: -737.900823 where: bonds (distance) C4'-P energy: -144.642 bonds (distance) P-C4' energy: -150.306 flat angles C4'-P-C4' energy: -169.016 flat angles P-C4'-P energy: -108.952 tors. eta vs tors. theta energy: -164.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2094.739382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.739382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.739382 (E_RNA) where: Base-Base interactions energy: -1425.145 where: short stacking energy: -592.920 Base-Backbone interact. energy: 6.617 local terms energy: -676.210974 where: bonds (distance) C4'-P energy: -127.711 bonds (distance) P-C4' energy: -134.543 flat angles C4'-P-C4' energy: -170.398 flat angles P-C4'-P energy: -96.035 tors. eta vs tors. theta energy: -147.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1941.838833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.838833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.838833 (E_RNA) where: Base-Base interactions energy: -1276.814 where: short stacking energy: -561.099 Base-Backbone interact. energy: 1.799 local terms energy: -666.823168 where: bonds (distance) C4'-P energy: -132.580 bonds (distance) P-C4' energy: -142.909 flat angles C4'-P-C4' energy: -163.985 flat angles P-C4'-P energy: -79.576 tors. eta vs tors. theta energy: -147.773 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1547.452397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.452397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.452397 (E_RNA) where: Base-Base interactions energy: -996.752 where: short stacking energy: -435.411 Base-Backbone interact. energy: 2.176 local terms energy: -552.876446 where: bonds (distance) C4'-P energy: -121.893 bonds (distance) P-C4' energy: -128.639 flat angles C4'-P-C4' energy: -140.211 flat angles P-C4'-P energy: -79.727 tors. eta vs tors. theta energy: -82.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -894.935584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.935584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.935584 (E_RNA) where: Base-Base interactions energy: -457.613 where: short stacking energy: -267.331 Base-Backbone interact. energy: 3.757 local terms energy: -441.079800 where: bonds (distance) C4'-P energy: -119.071 bonds (distance) P-C4' energy: -137.533 flat angles C4'-P-C4' energy: -102.776 flat angles P-C4'-P energy: -86.864 tors. eta vs tors. theta energy: 5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -817.676641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.676641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.676641 (E_RNA) where: Base-Base interactions energy: -402.559 where: short stacking energy: -251.586 Base-Backbone interact. energy: -4.160 local terms energy: -410.958496 where: bonds (distance) C4'-P energy: -129.766 bonds (distance) P-C4' energy: -128.733 flat angles C4'-P-C4' energy: -107.218 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: 16.764 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: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2870.378189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.378189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.378189 (E_RNA) where: Base-Base interactions energy: -1979.109 where: short stacking energy: -832.127 Base-Backbone interact. energy: -4.937 local terms energy: -886.331561 where: bonds (distance) C4'-P energy: -156.074 bonds (distance) P-C4' energy: -180.937 flat angles C4'-P-C4' energy: -176.619 flat angles P-C4'-P energy: -120.626 tors. eta vs tors. theta energy: -252.076 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: 281 Temperature: 0.950000 Total energy: -2739.433684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.433684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.433684 (E_RNA) where: Base-Base interactions energy: -1879.732 where: short stacking energy: -788.548 Base-Backbone interact. energy: -1.471 local terms energy: -858.231222 where: bonds (distance) C4'-P energy: -161.329 bonds (distance) P-C4' energy: -166.483 flat angles C4'-P-C4' energy: -178.430 flat angles P-C4'-P energy: -117.411 tors. eta vs tors. theta energy: -234.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2738.625553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.625553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.625553 (E_RNA) where: Base-Base interactions energy: -1865.495 where: short stacking energy: -783.343 Base-Backbone interact. energy: -6.443 local terms energy: -866.687519 where: bonds (distance) C4'-P energy: -145.934 bonds (distance) P-C4' energy: -176.005 flat angles C4'-P-C4' energy: -185.785 flat angles P-C4'-P energy: -118.899 tors. eta vs tors. theta energy: -240.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2367.330203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.330203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.330203 (E_RNA) where: Base-Base interactions energy: -1605.808 where: short stacking energy: -667.509 Base-Backbone interact. energy: -7.786 local terms energy: -753.736255 where: bonds (distance) C4'-P energy: -155.568 bonds (distance) P-C4' energy: -158.292 flat angles C4'-P-C4' energy: -158.719 flat angles P-C4'-P energy: -99.756 tors. eta vs tors. theta energy: -181.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2325.908017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.908017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.908017 (E_RNA) where: Base-Base interactions energy: -1588.164 where: short stacking energy: -658.577 Base-Backbone interact. energy: 1.327 local terms energy: -739.070563 where: bonds (distance) C4'-P energy: -139.321 bonds (distance) P-C4' energy: -148.666 flat angles C4'-P-C4' energy: -167.758 flat angles P-C4'-P energy: -120.529 tors. eta vs tors. theta energy: -162.796 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: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2041.265749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.265749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.265749 (E_RNA) where: Base-Base interactions energy: -1330.462 where: short stacking energy: -543.071 Base-Backbone interact. energy: -3.131 local terms energy: -707.672724 where: bonds (distance) C4'-P energy: -149.313 bonds (distance) P-C4' energy: -157.267 flat angles C4'-P-C4' energy: -159.077 flat angles P-C4'-P energy: -106.450 tors. eta vs tors. theta energy: -135.566 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: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1868.837022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.837022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.837022 (E_RNA) where: Base-Base interactions energy: -1219.652 where: short stacking energy: -539.924 Base-Backbone interact. energy: -3.186 local terms energy: -645.999181 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -132.780 flat angles C4'-P-C4' energy: -148.381 flat angles P-C4'-P energy: -95.324 tors. eta vs tors. theta energy: -121.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1685.885393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.885393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.885393 (E_RNA) where: Base-Base interactions energy: -1099.721 where: short stacking energy: -493.163 Base-Backbone interact. energy: -1.903 local terms energy: -584.261414 where: bonds (distance) C4'-P energy: -116.069 bonds (distance) P-C4' energy: -147.781 flat angles C4'-P-C4' energy: -133.514 flat angles P-C4'-P energy: -81.227 tors. eta vs tors. theta energy: -105.670 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: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -890.675343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.675343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.675343 (E_RNA) where: Base-Base interactions energy: -392.922 where: short stacking energy: -223.410 Base-Backbone interact. energy: -1.712 local terms energy: -496.041661 where: bonds (distance) C4'-P energy: -129.421 bonds (distance) P-C4' energy: -141.535 flat angles C4'-P-C4' energy: -158.204 flat angles P-C4'-P energy: -84.982 tors. eta vs tors. theta energy: 18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -878.068565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.068565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.068565 (E_RNA) where: Base-Base interactions energy: -448.234 where: short stacking energy: -234.994 Base-Backbone interact. energy: -0.305 local terms energy: -429.529752 where: bonds (distance) C4'-P energy: -124.838 bonds (distance) P-C4' energy: -141.487 flat angles C4'-P-C4' energy: -112.683 flat angles P-C4'-P energy: -62.686 tors. eta vs tors. theta energy: 12.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2891.976899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.976899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.976899 (E_RNA) where: Base-Base interactions energy: -1976.869 where: short stacking energy: -835.571 Base-Backbone interact. energy: -7.568 local terms energy: -907.540340 where: bonds (distance) C4'-P energy: -171.426 bonds (distance) P-C4' energy: -177.389 flat angles C4'-P-C4' energy: -177.424 flat angles P-C4'-P energy: -128.683 tors. eta vs tors. theta energy: -252.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2755.350148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.350148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.350148 (E_RNA) where: Base-Base interactions energy: -1883.011 where: short stacking energy: -795.191 Base-Backbone interact. energy: -1.722 local terms energy: -870.617519 where: bonds (distance) C4'-P energy: -166.388 bonds (distance) P-C4' energy: -175.515 flat angles C4'-P-C4' energy: -176.279 flat angles P-C4'-P energy: -114.801 tors. eta vs tors. theta energy: -237.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2715.198800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.198800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.198800 (E_RNA) where: Base-Base interactions energy: -1874.147 where: short stacking energy: -775.177 Base-Backbone interact. energy: -3.952 local terms energy: -837.100091 where: bonds (distance) C4'-P energy: -156.812 bonds (distance) P-C4' energy: -151.700 flat angles C4'-P-C4' energy: -180.598 flat angles P-C4'-P energy: -121.299 tors. eta vs tors. theta energy: -226.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2373.312829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.312829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.312829 (E_RNA) where: Base-Base interactions energy: -1629.365 where: short stacking energy: -662.339 Base-Backbone interact. energy: -4.256 local terms energy: -739.691569 where: bonds (distance) C4'-P energy: -137.438 bonds (distance) P-C4' energy: -149.172 flat angles C4'-P-C4' energy: -162.803 flat angles P-C4'-P energy: -107.434 tors. eta vs tors. theta energy: -182.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2314.764085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.764085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.764085 (E_RNA) where: Base-Base interactions energy: -1574.353 where: short stacking energy: -643.089 Base-Backbone interact. energy: 4.944 local terms energy: -745.354986 where: bonds (distance) C4'-P energy: -155.064 bonds (distance) P-C4' energy: -164.540 flat angles C4'-P-C4' energy: -170.517 flat angles P-C4'-P energy: -98.531 tors. eta vs tors. theta energy: -156.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2110.189037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.189037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.189037 (E_RNA) where: Base-Base interactions energy: -1419.083 where: short stacking energy: -589.592 Base-Backbone interact. energy: -0.634 local terms energy: -690.472936 where: bonds (distance) C4'-P energy: -143.941 bonds (distance) P-C4' energy: -137.323 flat angles C4'-P-C4' energy: -163.377 flat angles P-C4'-P energy: -96.049 tors. eta vs tors. theta energy: -149.783 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: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1950.846710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.846710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.846710 (E_RNA) where: Base-Base interactions energy: -1308.393 where: short stacking energy: -566.071 Base-Backbone interact. energy: -3.680 local terms energy: -638.773178 where: bonds (distance) C4'-P energy: -114.601 bonds (distance) P-C4' energy: -147.003 flat angles C4'-P-C4' energy: -150.160 flat angles P-C4'-P energy: -81.202 tors. eta vs tors. theta energy: -145.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1649.304066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.304066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.304066 (E_RNA) where: Base-Base interactions energy: -1065.984 where: short stacking energy: -465.257 Base-Backbone interact. energy: 6.262 local terms energy: -589.582517 where: bonds (distance) C4'-P energy: -126.364 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -142.131 flat angles P-C4'-P energy: -75.587 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: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -946.627178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.627178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.627178 (E_RNA) where: Base-Base interactions energy: -497.595 where: short stacking energy: -268.385 Base-Backbone interact. energy: -2.810 local terms energy: -446.222354 where: bonds (distance) C4'-P energy: -140.589 bonds (distance) P-C4' energy: -124.489 flat angles C4'-P-C4' energy: -123.867 flat angles P-C4'-P energy: -60.603 tors. eta vs tors. theta energy: 3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -972.188104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.188104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.188104 (E_RNA) where: Base-Base interactions energy: -482.846 where: short stacking energy: -275.221 Base-Backbone interact. energy: 8.718 local terms energy: -498.059802 where: bonds (distance) C4'-P energy: -149.540 bonds (distance) P-C4' energy: -137.512 flat angles C4'-P-C4' energy: -128.932 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2889.092318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.092318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.092318 (E_RNA) where: Base-Base interactions energy: -1974.520 where: short stacking energy: -844.399 Base-Backbone interact. energy: -10.217 local terms energy: -904.354944 where: bonds (distance) C4'-P energy: -163.746 bonds (distance) P-C4' energy: -163.693 flat angles C4'-P-C4' energy: -200.613 flat angles P-C4'-P energy: -118.728 tors. eta vs tors. theta energy: -257.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2793.344493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.344493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.344493 (E_RNA) where: Base-Base interactions energy: -1935.328 where: short stacking energy: -799.076 Base-Backbone interact. energy: -2.674 local terms energy: -855.342027 where: bonds (distance) C4'-P energy: -152.622 bonds (distance) P-C4' energy: -155.544 flat angles C4'-P-C4' energy: -181.510 flat angles P-C4'-P energy: -116.771 tors. eta vs tors. theta energy: -248.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2676.713653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.713653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.713653 (E_RNA) where: Base-Base interactions energy: -1864.534 where: short stacking energy: -781.316 Base-Backbone interact. energy: -0.131 local terms energy: -812.048741 where: bonds (distance) C4'-P energy: -147.202 bonds (distance) P-C4' energy: -149.126 flat angles C4'-P-C4' energy: -168.426 flat angles P-C4'-P energy: -124.352 tors. eta vs tors. theta energy: -222.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2441.614887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.614887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.614887 (E_RNA) where: Base-Base interactions energy: -1662.053 where: short stacking energy: -677.349 Base-Backbone interact. energy: -3.811 local terms energy: -775.751369 where: bonds (distance) C4'-P energy: -149.079 bonds (distance) P-C4' energy: -161.446 flat angles C4'-P-C4' energy: -164.604 flat angles P-C4'-P energy: -119.080 tors. eta vs tors. theta energy: -181.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2279.867636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.867636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.867636 (E_RNA) where: Base-Base interactions energy: -1551.136 where: short stacking energy: -620.131 Base-Backbone interact. energy: -3.757 local terms energy: -724.975122 where: bonds (distance) C4'-P energy: -136.334 bonds (distance) P-C4' energy: -160.004 flat angles C4'-P-C4' energy: -159.322 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -169.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2079.079730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.079730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.079730 (E_RNA) where: Base-Base interactions energy: -1375.926 where: short stacking energy: -609.641 Base-Backbone interact. energy: 1.262 local terms energy: -704.416188 where: bonds (distance) C4'-P energy: -158.252 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -138.373 flat angles P-C4'-P energy: -98.048 tors. eta vs tors. theta energy: -171.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1883.899957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.899957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.899957 (E_RNA) where: Base-Base interactions energy: -1223.466 where: short stacking energy: -530.918 Base-Backbone interact. energy: 0.075 local terms energy: -660.508199 where: bonds (distance) C4'-P energy: -128.535 bonds (distance) P-C4' energy: -150.950 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -104.366 tors. eta vs tors. theta energy: -123.111 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: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1622.164527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.164527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.164527 (E_RNA) where: Base-Base interactions energy: -1050.317 where: short stacking energy: -443.452 Base-Backbone interact. energy: 0.705 local terms energy: -572.553362 where: bonds (distance) C4'-P energy: -146.288 bonds (distance) P-C4' energy: -141.474 flat angles C4'-P-C4' energy: -124.285 flat angles P-C4'-P energy: -81.908 tors. eta vs tors. theta energy: -78.597 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: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -960.216629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.216629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.216629 (E_RNA) where: Base-Base interactions energy: -490.164 where: short stacking energy: -282.190 Base-Backbone interact. energy: 1.066 local terms energy: -471.118995 where: bonds (distance) C4'-P energy: -125.150 bonds (distance) P-C4' energy: -151.679 flat angles C4'-P-C4' energy: -118.864 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -13.782 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: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -869.652529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.652529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.652529 (E_RNA) where: Base-Base interactions energy: -444.762 where: short stacking energy: -224.191 Base-Backbone interact. energy: -1.209 local terms energy: -423.681337 where: bonds (distance) C4'-P energy: -120.228 bonds (distance) P-C4' energy: -134.729 flat angles C4'-P-C4' energy: -105.418 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: 6.904 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: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2923.040675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.040675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.040675 (E_RNA) where: Base-Base interactions energy: -1996.713 where: short stacking energy: -839.287 Base-Backbone interact. energy: -2.234 local terms energy: -924.094472 where: bonds (distance) C4'-P energy: -170.878 bonds (distance) P-C4' energy: -166.547 flat angles C4'-P-C4' energy: -187.491 flat angles P-C4'-P energy: -139.990 tors. eta vs tors. theta energy: -259.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2771.849953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.849953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.849953 (E_RNA) where: Base-Base interactions energy: -1908.118 where: short stacking energy: -790.712 Base-Backbone interact. energy: -4.418 local terms energy: -859.314359 where: bonds (distance) C4'-P energy: -172.951 bonds (distance) P-C4' energy: -156.311 flat angles C4'-P-C4' energy: -180.438 flat angles P-C4'-P energy: -116.839 tors. eta vs tors. theta energy: -232.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2703.097564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.097564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.097564 (E_RNA) where: Base-Base interactions energy: -1873.589 where: short stacking energy: -782.188 Base-Backbone interact. energy: -3.620 local terms energy: -825.889020 where: bonds (distance) C4'-P energy: -152.963 bonds (distance) P-C4' energy: -150.503 flat angles C4'-P-C4' energy: -173.427 flat angles P-C4'-P energy: -123.934 tors. eta vs tors. theta energy: -225.062 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: 284 Temperature: 1.050000 Total energy: -2465.608660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.608660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.608660 (E_RNA) where: Base-Base interactions energy: -1682.511 where: short stacking energy: -681.158 Base-Backbone interact. energy: 3.328 local terms energy: -786.425046 where: bonds (distance) C4'-P energy: -163.292 bonds (distance) P-C4' energy: -155.669 flat angles C4'-P-C4' energy: -171.583 flat angles P-C4'-P energy: -110.984 tors. eta vs tors. theta energy: -184.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2301.222268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.222268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.222268 (E_RNA) where: Base-Base interactions energy: -1566.050 where: short stacking energy: -687.234 Base-Backbone interact. energy: 5.405 local terms energy: -740.577270 where: bonds (distance) C4'-P energy: -132.927 bonds (distance) P-C4' energy: -155.023 flat angles C4'-P-C4' energy: -162.301 flat angles P-C4'-P energy: -108.958 tors. eta vs tors. theta energy: -181.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2137.993654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.993654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.993654 (E_RNA) where: Base-Base interactions energy: -1434.671 where: short stacking energy: -612.705 Base-Backbone interact. energy: -0.945 local terms energy: -702.377820 where: bonds (distance) C4'-P energy: -130.209 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -157.198 flat angles P-C4'-P energy: -97.749 tors. eta vs tors. theta energy: -174.856 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: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1863.723392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.723392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.723392 (E_RNA) where: Base-Base interactions energy: -1190.952 where: short stacking energy: -510.779 Base-Backbone interact. energy: 1.330 local terms energy: -674.101446 where: bonds (distance) C4'-P energy: -145.163 bonds (distance) P-C4' energy: -158.748 flat angles C4'-P-C4' energy: -155.849 flat angles P-C4'-P energy: -94.577 tors. eta vs tors. theta energy: -119.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1536.386805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.386805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.386805 (E_RNA) where: Base-Base interactions energy: -968.715 where: short stacking energy: -428.973 Base-Backbone interact. energy: -0.579 local terms energy: -567.092346 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -152.752 flat angles C4'-P-C4' energy: -136.820 flat angles P-C4'-P energy: -63.369 tors. eta vs tors. theta energy: -80.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -985.306899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.306899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.306899 (E_RNA) where: Base-Base interactions energy: -508.221 where: short stacking energy: -258.220 Base-Backbone interact. energy: -4.043 local terms energy: -473.043409 where: bonds (distance) C4'-P energy: -129.771 bonds (distance) P-C4' energy: -144.418 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -75.344 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: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -838.876411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.876411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.876411 (E_RNA) where: Base-Base interactions energy: -447.226 where: short stacking energy: -232.279 Base-Backbone interact. energy: -1.498 local terms energy: -390.151563 where: bonds (distance) C4'-P energy: -111.195 bonds (distance) P-C4' energy: -136.237 flat angles C4'-P-C4' energy: -111.414 flat angles P-C4'-P energy: -40.064 tors. eta vs tors. theta energy: 8.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2895.446049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.446049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.446049 (E_RNA) where: Base-Base interactions energy: -1991.409 where: short stacking energy: -870.742 Base-Backbone interact. energy: -5.161 local terms energy: -898.876046 where: bonds (distance) C4'-P energy: -165.127 bonds (distance) P-C4' energy: -140.542 flat angles C4'-P-C4' energy: -200.961 flat angles P-C4'-P energy: -126.113 tors. eta vs tors. theta energy: -266.132 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: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2763.790164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.790164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.790164 (E_RNA) where: Base-Base interactions energy: -1894.070 where: short stacking energy: -807.210 Base-Backbone interact. energy: 0.872 local terms energy: -870.592423 where: bonds (distance) C4'-P energy: -148.015 bonds (distance) P-C4' energy: -169.982 flat angles C4'-P-C4' energy: -188.845 flat angles P-C4'-P energy: -132.457 tors. eta vs tors. theta energy: -231.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2654.043293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.043293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.043293 (E_RNA) where: Base-Base interactions energy: -1834.073 where: short stacking energy: -736.402 Base-Backbone interact. energy: -0.056 local terms energy: -819.914218 where: bonds (distance) C4'-P energy: -161.225 bonds (distance) P-C4' energy: -145.988 flat angles C4'-P-C4' energy: -188.723 flat angles P-C4'-P energy: -111.615 tors. eta vs tors. theta energy: -212.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2480.421717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.421717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.421717 (E_RNA) where: Base-Base interactions energy: -1718.356 where: short stacking energy: -682.536 Base-Backbone interact. energy: -3.850 local terms energy: -758.215526 where: bonds (distance) C4'-P energy: -149.076 bonds (distance) P-C4' energy: -141.792 flat angles C4'-P-C4' energy: -164.488 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -186.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2262.731371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.731371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.731371 (E_RNA) where: Base-Base interactions energy: -1499.262 where: short stacking energy: -629.562 Base-Backbone interact. energy: -1.148 local terms energy: -762.320538 where: bonds (distance) C4'-P energy: -157.139 bonds (distance) P-C4' energy: -149.183 flat angles C4'-P-C4' energy: -178.730 flat angles P-C4'-P energy: -102.919 tors. eta vs tors. theta energy: -174.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2010.766699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.766699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.766699 (E_RNA) where: Base-Base interactions energy: -1331.431 where: short stacking energy: -579.572 Base-Backbone interact. energy: 0.592 local terms energy: -679.928036 where: bonds (distance) C4'-P energy: -135.910 bonds (distance) P-C4' energy: -133.508 flat angles C4'-P-C4' energy: -152.567 flat angles P-C4'-P energy: -101.395 tors. eta vs tors. theta energy: -156.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2004.740066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.740066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.740066 (E_RNA) where: Base-Base interactions energy: -1300.030 where: short stacking energy: -536.813 Base-Backbone interact. energy: -4.427 local terms energy: -700.282617 where: bonds (distance) C4'-P energy: -138.237 bonds (distance) P-C4' energy: -145.087 flat angles C4'-P-C4' energy: -163.208 flat angles P-C4'-P energy: -98.236 tors. eta vs tors. theta energy: -155.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1571.136122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.136122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.136122 (E_RNA) where: Base-Base interactions energy: -1025.315 where: short stacking energy: -429.623 Base-Backbone interact. energy: -2.082 local terms energy: -543.738406 where: bonds (distance) C4'-P energy: -130.628 bonds (distance) P-C4' energy: -143.067 flat angles C4'-P-C4' energy: -135.044 flat angles P-C4'-P energy: -67.318 tors. eta vs tors. theta energy: -67.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -984.737747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.737747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.737747 (E_RNA) where: Base-Base interactions energy: -507.526 where: short stacking energy: -272.562 Base-Backbone interact. energy: 5.648 local terms energy: -482.859655 where: bonds (distance) C4'-P energy: -133.905 bonds (distance) P-C4' energy: -135.991 flat angles C4'-P-C4' energy: -132.219 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -742.721200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.721200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.721200 (E_RNA) where: Base-Base interactions energy: -334.600 where: short stacking energy: -194.127 Base-Backbone interact. energy: 1.887 local terms energy: -410.007698 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -129.150 flat angles C4'-P-C4' energy: -114.207 flat angles P-C4'-P energy: -62.774 tors. eta vs tors. theta energy: 27.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2890.218981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.218981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.218981 (E_RNA) where: Base-Base interactions energy: -1973.256 where: short stacking energy: -864.137 Base-Backbone interact. energy: -0.864 local terms energy: -916.098543 where: bonds (distance) C4'-P energy: -166.616 bonds (distance) P-C4' energy: -157.958 flat angles C4'-P-C4' energy: -191.731 flat angles P-C4'-P energy: -129.049 tors. eta vs tors. theta energy: -270.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2743.427105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.427105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.427105 (E_RNA) where: Base-Base interactions energy: -1895.899 where: short stacking energy: -790.308 Base-Backbone interact. energy: -5.850 local terms energy: -841.678837 where: bonds (distance) C4'-P energy: -158.079 bonds (distance) P-C4' energy: -157.142 flat angles C4'-P-C4' energy: -185.787 flat angles P-C4'-P energy: -103.805 tors. eta vs tors. theta energy: -236.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2650.405538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.405538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.405538 (E_RNA) where: Base-Base interactions energy: -1811.789 where: short stacking energy: -781.453 Base-Backbone interact. energy: -4.369 local terms energy: -834.247246 where: bonds (distance) C4'-P energy: -154.639 bonds (distance) P-C4' energy: -147.110 flat angles C4'-P-C4' energy: -189.010 flat angles P-C4'-P energy: -112.211 tors. eta vs tors. theta energy: -231.277 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: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2522.541802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.541802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.541802 (E_RNA) where: Base-Base interactions energy: -1741.453 where: short stacking energy: -741.201 Base-Backbone interact. energy: 8.781 local terms energy: -789.869652 where: bonds (distance) C4'-P energy: -133.175 bonds (distance) P-C4' energy: -158.599 flat angles C4'-P-C4' energy: -187.473 flat angles P-C4'-P energy: -113.287 tors. eta vs tors. theta energy: -197.336 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: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2277.191076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.191076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.191076 (E_RNA) where: Base-Base interactions energy: -1549.385 where: short stacking energy: -638.731 Base-Backbone interact. energy: -0.457 local terms energy: -727.348916 where: bonds (distance) C4'-P energy: -139.141 bonds (distance) P-C4' energy: -149.761 flat angles C4'-P-C4' energy: -167.806 flat angles P-C4'-P energy: -92.574 tors. eta vs tors. theta energy: -178.067 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: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2061.015705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.015705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.015705 (E_RNA) where: Base-Base interactions energy: -1378.089 where: short stacking energy: -604.859 Base-Backbone interact. energy: 1.028 local terms energy: -683.955603 where: bonds (distance) C4'-P energy: -135.301 bonds (distance) P-C4' energy: -130.362 flat angles C4'-P-C4' energy: -147.052 flat angles P-C4'-P energy: -121.224 tors. eta vs tors. theta energy: -150.017 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: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2041.656043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.656043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.656043 (E_RNA) where: Base-Base interactions energy: -1391.581 where: short stacking energy: -600.211 Base-Backbone interact. energy: -2.574 local terms energy: -647.501043 where: bonds (distance) C4'-P energy: -113.241 bonds (distance) P-C4' energy: -143.111 flat angles C4'-P-C4' energy: -148.423 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -151.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1584.068237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.068237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.068237 (E_RNA) where: Base-Base interactions energy: -1006.200 where: short stacking energy: -427.634 Base-Backbone interact. energy: -3.152 local terms energy: -574.716263 where: bonds (distance) C4'-P energy: -130.012 bonds (distance) P-C4' energy: -143.802 flat angles C4'-P-C4' energy: -125.433 flat angles P-C4'-P energy: -100.019 tors. eta vs tors. theta energy: -75.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1036.225125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.225125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.225125 (E_RNA) where: Base-Base interactions energy: -562.369 where: short stacking energy: -306.932 Base-Backbone interact. energy: 2.673 local terms energy: -476.530026 where: bonds (distance) C4'-P energy: -118.391 bonds (distance) P-C4' energy: -136.851 flat angles C4'-P-C4' energy: -132.068 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -32.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -722.883645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.883645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.883645 (E_RNA) where: Base-Base interactions energy: -311.895 where: short stacking energy: -201.031 Base-Backbone interact. energy: 1.594 local terms energy: -412.582314 where: bonds (distance) C4'-P energy: -121.618 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -118.958 flat angles P-C4'-P energy: -62.639 tors. eta vs tors. theta energy: 17.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2868.599284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.599284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.599284 (E_RNA) where: Base-Base interactions energy: -1951.801 where: short stacking energy: -816.760 Base-Backbone interact. energy: -5.567 local terms energy: -911.230903 where: bonds (distance) C4'-P energy: -173.603 bonds (distance) P-C4' energy: -180.856 flat angles C4'-P-C4' energy: -175.892 flat angles P-C4'-P energy: -124.546 tors. eta vs tors. theta energy: -256.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2738.872815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.872815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.872815 (E_RNA) where: Base-Base interactions energy: -1897.509 where: short stacking energy: -781.584 Base-Backbone interact. energy: -2.632 local terms energy: -838.731240 where: bonds (distance) C4'-P energy: -152.584 bonds (distance) P-C4' energy: -149.951 flat angles C4'-P-C4' energy: -186.789 flat angles P-C4'-P energy: -120.330 tors. eta vs tors. theta energy: -229.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2703.841915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.841915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.841915 (E_RNA) where: Base-Base interactions energy: -1881.319 where: short stacking energy: -774.703 Base-Backbone interact. energy: -5.767 local terms energy: -816.755529 where: bonds (distance) C4'-P energy: -155.619 bonds (distance) P-C4' energy: -136.060 flat angles C4'-P-C4' energy: -179.591 flat angles P-C4'-P energy: -114.322 tors. eta vs tors. theta energy: -231.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2470.038825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.038825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.038825 (E_RNA) where: Base-Base interactions energy: -1694.655 where: short stacking energy: -682.705 Base-Backbone interact. energy: 3.303 local terms energy: -778.687044 where: bonds (distance) C4'-P energy: -154.323 bonds (distance) P-C4' energy: -162.302 flat angles C4'-P-C4' energy: -156.100 flat angles P-C4'-P energy: -110.010 tors. eta vs tors. theta energy: -195.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2318.635191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.635191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.635191 (E_RNA) where: Base-Base interactions energy: -1599.274 where: short stacking energy: -678.889 Base-Backbone interact. energy: 3.078 local terms energy: -722.439544 where: bonds (distance) C4'-P energy: -138.405 bonds (distance) P-C4' energy: -151.528 flat angles C4'-P-C4' energy: -153.410 flat angles P-C4'-P energy: -100.746 tors. eta vs tors. theta energy: -178.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2105.990136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.990136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.990136 (E_RNA) where: Base-Base interactions energy: -1389.586 where: short stacking energy: -566.666 Base-Backbone interact. energy: -1.674 local terms energy: -714.730118 where: bonds (distance) C4'-P energy: -135.185 bonds (distance) P-C4' energy: -152.292 flat angles C4'-P-C4' energy: -152.365 flat angles P-C4'-P energy: -110.259 tors. eta vs tors. theta energy: -164.629 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: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1890.560046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.560046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.560046 (E_RNA) where: Base-Base interactions energy: -1233.840 where: short stacking energy: -543.246 Base-Backbone interact. energy: -1.507 local terms energy: -655.213218 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -137.928 flat angles C4'-P-C4' energy: -130.187 flat angles P-C4'-P energy: -100.077 tors. eta vs tors. theta energy: -148.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1577.782941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.782941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.782941 (E_RNA) where: Base-Base interactions energy: -979.592 where: short stacking energy: -441.885 Base-Backbone interact. energy: -3.189 local terms energy: -595.002199 where: bonds (distance) C4'-P energy: -137.510 bonds (distance) P-C4' energy: -141.530 flat angles C4'-P-C4' energy: -137.568 flat angles P-C4'-P energy: -85.177 tors. eta vs tors. theta energy: -93.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1036.414267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.414267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.414267 (E_RNA) where: Base-Base interactions energy: -553.213 where: short stacking energy: -284.975 Base-Backbone interact. energy: -0.288 local terms energy: -482.913901 where: bonds (distance) C4'-P energy: -124.700 bonds (distance) P-C4' energy: -124.671 flat angles C4'-P-C4' energy: -135.929 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -20.094 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: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -847.339029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.339029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.339029 (E_RNA) where: Base-Base interactions energy: -394.158 where: short stacking energy: -239.409 Base-Backbone interact. energy: 4.237 local terms energy: -457.417724 where: bonds (distance) C4'-P energy: -123.197 bonds (distance) P-C4' energy: -143.984 flat angles C4'-P-C4' energy: -115.820 flat angles P-C4'-P energy: -85.621 tors. eta vs tors. theta energy: 11.204 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: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2895.331550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.331550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.331550 (E_RNA) where: Base-Base interactions energy: -1983.895 where: short stacking energy: -833.974 Base-Backbone interact. energy: -4.053 local terms energy: -907.383887 where: bonds (distance) C4'-P energy: -171.032 bonds (distance) P-C4' energy: -167.641 flat angles C4'-P-C4' energy: -187.410 flat angles P-C4'-P energy: -127.355 tors. eta vs tors. theta energy: -253.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2743.859451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.859451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.859451 (E_RNA) where: Base-Base interactions energy: -1879.934 where: short stacking energy: -790.801 Base-Backbone interact. energy: -6.081 local terms energy: -857.844289 where: bonds (distance) C4'-P energy: -155.167 bonds (distance) P-C4' energy: -164.890 flat angles C4'-P-C4' energy: -185.285 flat angles P-C4'-P energy: -113.634 tors. eta vs tors. theta energy: -238.869 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: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2645.095061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.095061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.095061 (E_RNA) where: Base-Base interactions energy: -1829.742 where: short stacking energy: -770.308 Base-Backbone interact. energy: -1.216 local terms energy: -814.136966 where: bonds (distance) C4'-P energy: -153.733 bonds (distance) P-C4' energy: -158.851 flat angles C4'-P-C4' energy: -174.921 flat angles P-C4'-P energy: -107.573 tors. eta vs tors. theta energy: -219.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2466.414710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.414710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.414710 (E_RNA) where: Base-Base interactions energy: -1692.134 where: short stacking energy: -679.870 Base-Backbone interact. energy: 2.229 local terms energy: -776.509248 where: bonds (distance) C4'-P energy: -154.313 bonds (distance) P-C4' energy: -149.269 flat angles C4'-P-C4' energy: -169.948 flat angles P-C4'-P energy: -113.191 tors. eta vs tors. theta energy: -189.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2262.426715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.426715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.426715 (E_RNA) where: Base-Base interactions energy: -1505.403 where: short stacking energy: -636.691 Base-Backbone interact. energy: -0.308 local terms energy: -756.715594 where: bonds (distance) C4'-P energy: -158.084 bonds (distance) P-C4' energy: -150.612 flat angles C4'-P-C4' energy: -163.537 flat angles P-C4'-P energy: -102.674 tors. eta vs tors. theta energy: -181.810 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: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2081.890793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.890793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.890793 (E_RNA) where: Base-Base interactions energy: -1408.819 where: short stacking energy: -603.233 Base-Backbone interact. energy: 0.280 local terms energy: -673.352195 where: bonds (distance) C4'-P energy: -137.133 bonds (distance) P-C4' energy: -131.108 flat angles C4'-P-C4' energy: -153.293 flat angles P-C4'-P energy: -93.983 tors. eta vs tors. theta energy: -157.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1958.062135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.062135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.062135 (E_RNA) where: Base-Base interactions energy: -1270.187 where: short stacking energy: -570.630 Base-Backbone interact. energy: -1.295 local terms energy: -686.579627 where: bonds (distance) C4'-P energy: -141.315 bonds (distance) P-C4' energy: -144.525 flat angles C4'-P-C4' energy: -143.943 flat angles P-C4'-P energy: -103.011 tors. eta vs tors. theta energy: -153.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1455.543394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.543394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.543394 (E_RNA) where: Base-Base interactions energy: -921.545 where: short stacking energy: -416.110 Base-Backbone interact. energy: -3.904 local terms energy: -530.094435 where: bonds (distance) C4'-P energy: -118.941 bonds (distance) P-C4' energy: -134.203 flat angles C4'-P-C4' energy: -120.145 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -78.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1054.578687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.578687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.578687 (E_RNA) where: Base-Base interactions energy: -545.515 where: short stacking energy: -262.711 Base-Backbone interact. energy: 5.539 local terms energy: -514.602353 where: bonds (distance) C4'-P energy: -143.709 bonds (distance) P-C4' energy: -142.655 flat angles C4'-P-C4' energy: -117.775 flat angles P-C4'-P energy: -101.925 tors. eta vs tors. theta energy: -8.537 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: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -778.935051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.935051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.935051 (E_RNA) where: Base-Base interactions energy: -351.845 where: short stacking energy: -213.007 Base-Backbone interact. energy: -3.663 local terms energy: -423.427625 where: bonds (distance) C4'-P energy: -121.883 bonds (distance) P-C4' energy: -128.040 flat angles C4'-P-C4' energy: -129.528 flat angles P-C4'-P energy: -67.181 tors. eta vs tors. theta energy: 23.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2893.551663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.551663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.551663 (E_RNA) where: Base-Base interactions energy: -2002.976 where: short stacking energy: -867.014 Base-Backbone interact. energy: -1.067 local terms energy: -889.508920 where: bonds (distance) C4'-P energy: -171.241 bonds (distance) P-C4' energy: -162.277 flat angles C4'-P-C4' energy: -173.823 flat angles P-C4'-P energy: -125.083 tors. eta vs tors. theta energy: -257.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2754.558808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.558808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.558808 (E_RNA) where: Base-Base interactions energy: -1879.374 where: short stacking energy: -788.035 Base-Backbone interact. energy: -5.459 local terms energy: -869.725882 where: bonds (distance) C4'-P energy: -158.959 bonds (distance) P-C4' energy: -160.520 flat angles C4'-P-C4' energy: -185.369 flat angles P-C4'-P energy: -127.111 tors. eta vs tors. theta energy: -237.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2714.063139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.063139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.063139 (E_RNA) where: Base-Base interactions energy: -1908.569 where: short stacking energy: -750.222 Base-Backbone interact. energy: -1.564 local terms energy: -803.930437 where: bonds (distance) C4'-P energy: -139.087 bonds (distance) P-C4' energy: -154.958 flat angles C4'-P-C4' energy: -172.066 flat angles P-C4'-P energy: -115.997 tors. eta vs tors. theta energy: -221.823 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: 289 Temperature: 1.050000 Total energy: -2461.531204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.531204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.531204 (E_RNA) where: Base-Base interactions energy: -1697.574 where: short stacking energy: -682.988 Base-Backbone interact. energy: -1.369 local terms energy: -762.587692 where: bonds (distance) C4'-P energy: -156.836 bonds (distance) P-C4' energy: -153.454 flat angles C4'-P-C4' energy: -165.498 flat angles P-C4'-P energy: -98.016 tors. eta vs tors. theta energy: -188.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2273.383353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.383353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.383353 (E_RNA) where: Base-Base interactions energy: -1569.286 where: short stacking energy: -673.352 Base-Backbone interact. energy: -2.218 local terms energy: -701.879402 where: bonds (distance) C4'-P energy: -119.295 bonds (distance) P-C4' energy: -151.132 flat angles C4'-P-C4' energy: -176.428 flat angles P-C4'-P energy: -83.336 tors. eta vs tors. theta energy: -171.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2071.770270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.770270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.770270 (E_RNA) where: Base-Base interactions energy: -1384.597 where: short stacking energy: -591.265 Base-Backbone interact. energy: 0.807 local terms energy: -687.980268 where: bonds (distance) C4'-P energy: -136.331 bonds (distance) P-C4' energy: -135.662 flat angles C4'-P-C4' energy: -166.913 flat angles P-C4'-P energy: -106.218 tors. eta vs tors. theta energy: -142.856 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: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1851.801540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.801540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.801540 (E_RNA) where: Base-Base interactions energy: -1222.115 where: short stacking energy: -525.267 Base-Backbone interact. energy: 2.849 local terms energy: -632.536313 where: bonds (distance) C4'-P energy: -129.403 bonds (distance) P-C4' energy: -142.913 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -85.518 tors. eta vs tors. theta energy: -121.998 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: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1443.711073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.711073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.711073 (E_RNA) where: Base-Base interactions energy: -881.097 where: short stacking energy: -424.180 Base-Backbone interact. energy: -1.211 local terms energy: -561.402878 where: bonds (distance) C4'-P energy: -124.673 bonds (distance) P-C4' energy: -136.682 flat angles C4'-P-C4' energy: -145.716 flat angles P-C4'-P energy: -85.746 tors. eta vs tors. theta energy: -68.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1011.101386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.101386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.101386 (E_RNA) where: Base-Base interactions energy: -491.400 where: short stacking energy: -254.377 Base-Backbone interact. energy: -3.376 local terms energy: -516.325390 where: bonds (distance) C4'-P energy: -111.565 bonds (distance) P-C4' energy: -162.642 flat angles C4'-P-C4' energy: -146.302 flat angles P-C4'-P energy: -82.173 tors. eta vs tors. theta energy: -13.643 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: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -841.368908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.368908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.368908 (E_RNA) where: Base-Base interactions energy: -407.801 where: short stacking energy: -238.533 Base-Backbone interact. energy: 4.390 local terms energy: -437.957497 where: bonds (distance) C4'-P energy: -115.816 bonds (distance) P-C4' energy: -151.843 flat angles C4'-P-C4' energy: -109.048 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: 9.087 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: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2871.940098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.940098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.940098 (E_RNA) where: Base-Base interactions energy: -1961.589 where: short stacking energy: -814.625 Base-Backbone interact. energy: -4.567 local terms energy: -905.783522 where: bonds (distance) C4'-P energy: -156.977 bonds (distance) P-C4' energy: -171.356 flat angles C4'-P-C4' energy: -194.760 flat angles P-C4'-P energy: -129.459 tors. eta vs tors. theta energy: -253.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2699.041814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.041814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.041814 (E_RNA) where: Base-Base interactions energy: -1847.298 where: short stacking energy: -773.724 Base-Backbone interact. energy: -2.362 local terms energy: -849.381657 where: bonds (distance) C4'-P energy: -165.386 bonds (distance) P-C4' energy: -153.819 flat angles C4'-P-C4' energy: -175.660 flat angles P-C4'-P energy: -121.054 tors. eta vs tors. theta energy: -233.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2685.499037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.499037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.499037 (E_RNA) where: Base-Base interactions energy: -1908.881 where: short stacking energy: -765.645 Base-Backbone interact. energy: -2.237 local terms energy: -774.380997 where: bonds (distance) C4'-P energy: -123.758 bonds (distance) P-C4' energy: -155.051 flat angles C4'-P-C4' energy: -176.142 flat angles P-C4'-P energy: -103.362 tors. eta vs tors. theta energy: -216.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2475.699975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.699975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.699975 (E_RNA) where: Base-Base interactions energy: -1696.676 where: short stacking energy: -672.387 Base-Backbone interact. energy: 1.237 local terms energy: -780.260440 where: bonds (distance) C4'-P energy: -149.934 bonds (distance) P-C4' energy: -159.550 flat angles C4'-P-C4' energy: -184.271 flat angles P-C4'-P energy: -120.135 tors. eta vs tors. theta energy: -166.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2261.631664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.631664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.631664 (E_RNA) where: Base-Base interactions energy: -1539.127 where: short stacking energy: -640.678 Base-Backbone interact. energy: -1.087 local terms energy: -721.418531 where: bonds (distance) C4'-P energy: -141.653 bonds (distance) P-C4' energy: -152.664 flat angles C4'-P-C4' energy: -174.477 flat angles P-C4'-P energy: -92.269 tors. eta vs tors. theta energy: -160.355 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: 290 Temperature: 1.150000 Total energy: -2048.418664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.418664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.418664 (E_RNA) where: Base-Base interactions energy: -1364.502 where: short stacking energy: -605.600 Base-Backbone interact. energy: -1.581 local terms energy: -682.335512 where: bonds (distance) C4'-P energy: -118.881 bonds (distance) P-C4' energy: -151.175 flat angles C4'-P-C4' energy: -157.221 flat angles P-C4'-P energy: -91.954 tors. eta vs tors. theta energy: -163.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1876.579240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.579240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.579240 (E_RNA) where: Base-Base interactions energy: -1250.405 where: short stacking energy: -540.927 Base-Backbone interact. energy: 3.499 local terms energy: -629.672774 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -139.097 flat angles C4'-P-C4' energy: -142.681 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -131.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1461.688485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.688485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.688485 (E_RNA) where: Base-Base interactions energy: -869.052 where: short stacking energy: -425.748 Base-Backbone interact. energy: -4.389 local terms energy: -588.247519 where: bonds (distance) C4'-P energy: -135.372 bonds (distance) P-C4' energy: -141.959 flat angles C4'-P-C4' energy: -139.468 flat angles P-C4'-P energy: -95.919 tors. eta vs tors. theta energy: -75.529 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: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -867.710122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.710122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.710122 (E_RNA) where: Base-Base interactions energy: -405.658 where: short stacking energy: -241.548 Base-Backbone interact. energy: -1.109 local terms energy: -460.943046 where: bonds (distance) C4'-P energy: -133.982 bonds (distance) P-C4' energy: -118.412 flat angles C4'-P-C4' energy: -137.138 flat angles P-C4'-P energy: -66.510 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -956.233583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.233583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.233583 (E_RNA) where: Base-Base interactions energy: -526.795 where: short stacking energy: -277.037 Base-Backbone interact. energy: -2.042 local terms energy: -427.396121 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -124.897 flat angles C4'-P-C4' energy: -109.632 flat angles P-C4'-P energy: -56.270 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2899.002014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.002014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.002014 (E_RNA) where: Base-Base interactions energy: -2026.194 where: short stacking energy: -841.380 Base-Backbone interact. energy: -0.655 local terms energy: -872.153131 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -174.577 flat angles C4'-P-C4' energy: -183.301 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -244.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2724.789549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.789549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.789549 (E_RNA) where: Base-Base interactions energy: -1854.973 where: short stacking energy: -753.255 Base-Backbone interact. energy: 0.095 local terms energy: -869.911726 where: bonds (distance) C4'-P energy: -158.617 bonds (distance) P-C4' energy: -157.740 flat angles C4'-P-C4' energy: -191.815 flat angles P-C4'-P energy: -123.046 tors. eta vs tors. theta energy: -238.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2665.557488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.557488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.557488 (E_RNA) where: Base-Base interactions energy: -1843.803 where: short stacking energy: -753.642 Base-Backbone interact. energy: -0.929 local terms energy: -820.824636 where: bonds (distance) C4'-P energy: -167.829 bonds (distance) P-C4' energy: -150.057 flat angles C4'-P-C4' energy: -180.541 flat angles P-C4'-P energy: -108.427 tors. eta vs tors. theta energy: -213.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2489.228252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.228252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.228252 (E_RNA) where: Base-Base interactions energy: -1730.986 where: short stacking energy: -694.232 Base-Backbone interact. energy: 3.198 local terms energy: -761.440768 where: bonds (distance) C4'-P energy: -147.220 bonds (distance) P-C4' energy: -138.158 flat angles C4'-P-C4' energy: -166.945 flat angles P-C4'-P energy: -120.803 tors. eta vs tors. theta energy: -188.314 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: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2219.230427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.230427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.230427 (E_RNA) where: Base-Base interactions energy: -1505.071 where: short stacking energy: -615.229 Base-Backbone interact. energy: -2.438 local terms energy: -711.721375 where: bonds (distance) C4'-P energy: -145.109 bonds (distance) P-C4' energy: -147.341 flat angles C4'-P-C4' energy: -166.342 flat angles P-C4'-P energy: -97.437 tors. eta vs tors. theta energy: -155.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2094.982529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.982529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.982529 (E_RNA) where: Base-Base interactions energy: -1431.528 where: short stacking energy: -608.210 Base-Backbone interact. energy: 3.989 local terms energy: -667.443318 where: bonds (distance) C4'-P energy: -126.855 bonds (distance) P-C4' energy: -154.397 flat angles C4'-P-C4' energy: -157.912 flat angles P-C4'-P energy: -101.400 tors. eta vs tors. theta energy: -126.879 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: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1850.514478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.514478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.514478 (E_RNA) where: Base-Base interactions energy: -1234.403 where: short stacking energy: -505.131 Base-Backbone interact. energy: 4.021 local terms energy: -620.131798 where: bonds (distance) C4'-P energy: -135.905 bonds (distance) P-C4' energy: -149.955 flat angles C4'-P-C4' energy: -132.971 flat angles P-C4'-P energy: -81.341 tors. eta vs tors. theta energy: -119.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1453.061736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.061736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.061736 (E_RNA) where: Base-Base interactions energy: -872.453 where: short stacking energy: -440.777 Base-Backbone interact. energy: 0.907 local terms energy: -581.516310 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -131.039 flat angles C4'-P-C4' energy: -157.170 flat angles P-C4'-P energy: -78.283 tors. eta vs tors. theta energy: -94.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -853.701919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.701919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.701919 (E_RNA) where: Base-Base interactions energy: -403.412 where: short stacking energy: -240.192 Base-Backbone interact. energy: 2.394 local terms energy: -452.683146 where: bonds (distance) C4'-P energy: -120.698 bonds (distance) P-C4' energy: -149.158 flat angles C4'-P-C4' energy: -110.637 flat angles P-C4'-P energy: -77.085 tors. eta vs tors. theta energy: 4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -992.157229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.157229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.157229 (E_RNA) where: Base-Base interactions energy: -531.953 where: short stacking energy: -274.426 Base-Backbone interact. energy: -2.263 local terms energy: -457.940987 where: bonds (distance) C4'-P energy: -118.658 bonds (distance) P-C4' energy: -119.413 flat angles C4'-P-C4' energy: -130.110 flat angles P-C4'-P energy: -72.049 tors. eta vs tors. theta energy: -17.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2884.478475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.478475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.478475 (E_RNA) where: Base-Base interactions energy: -2008.493 where: short stacking energy: -835.274 Base-Backbone interact. energy: -3.176 local terms energy: -872.809676 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -154.257 flat angles C4'-P-C4' energy: -189.306 flat angles P-C4'-P energy: -118.330 tors. eta vs tors. theta energy: -248.983 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: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2728.355613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.355613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.355613 (E_RNA) where: Base-Base interactions energy: -1879.939 where: short stacking energy: -786.359 Base-Backbone interact. energy: -2.719 local terms energy: -845.698246 where: bonds (distance) C4'-P energy: -152.235 bonds (distance) P-C4' energy: -156.994 flat angles C4'-P-C4' energy: -183.240 flat angles P-C4'-P energy: -123.763 tors. eta vs tors. theta energy: -229.466 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: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2691.537506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.537506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.537506 (E_RNA) where: Base-Base interactions energy: -1868.594 where: short stacking energy: -733.596 Base-Backbone interact. energy: -2.727 local terms energy: -820.216585 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -150.622 flat angles C4'-P-C4' energy: -180.924 flat angles P-C4'-P energy: -124.523 tors. eta vs tors. theta energy: -215.226 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: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2515.290346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.290346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.290346 (E_RNA) where: Base-Base interactions energy: -1747.376 where: short stacking energy: -703.193 Base-Backbone interact. energy: -3.892 local terms energy: -764.023049 where: bonds (distance) C4'-P energy: -148.426 bonds (distance) P-C4' energy: -146.202 flat angles C4'-P-C4' energy: -173.501 flat angles P-C4'-P energy: -104.698 tors. eta vs tors. theta energy: -191.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2248.308054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.308054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.308054 (E_RNA) where: Base-Base interactions energy: -1500.949 where: short stacking energy: -664.535 Base-Backbone interact. energy: -5.005 local terms energy: -742.354306 where: bonds (distance) C4'-P energy: -163.503 bonds (distance) P-C4' energy: -159.217 flat angles C4'-P-C4' energy: -156.790 flat angles P-C4'-P energy: -90.705 tors. eta vs tors. theta energy: -172.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2103.015684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.015684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.015684 (E_RNA) where: Base-Base interactions energy: -1418.827 where: short stacking energy: -560.930 Base-Backbone interact. energy: -3.044 local terms energy: -681.144997 where: bonds (distance) C4'-P energy: -135.045 bonds (distance) P-C4' energy: -155.776 flat angles C4'-P-C4' energy: -152.225 flat angles P-C4'-P energy: -93.741 tors. eta vs tors. theta energy: -144.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1905.476605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.476605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.476605 (E_RNA) where: Base-Base interactions energy: -1273.869 where: short stacking energy: -570.931 Base-Backbone interact. energy: -1.368 local terms energy: -630.240132 where: bonds (distance) C4'-P energy: -120.474 bonds (distance) P-C4' energy: -127.494 flat angles C4'-P-C4' energy: -154.019 flat angles P-C4'-P energy: -91.088 tors. eta vs tors. theta energy: -137.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1437.988689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.988689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.988689 (E_RNA) where: Base-Base interactions energy: -862.914 where: short stacking energy: -410.787 Base-Backbone interact. energy: -0.898 local terms energy: -574.176504 where: bonds (distance) C4'-P energy: -133.362 bonds (distance) P-C4' energy: -153.788 flat angles C4'-P-C4' energy: -139.320 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -67.672 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: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -984.805945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.805945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.805945 (E_RNA) where: Base-Base interactions energy: -505.578 where: short stacking energy: -251.212 Base-Backbone interact. energy: 10.631 local terms energy: -489.859182 where: bonds (distance) C4'-P energy: -130.309 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -129.837 flat angles P-C4'-P energy: -89.770 tors. eta vs tors. theta energy: 6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -901.901979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.901979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.901979 (E_RNA) where: Base-Base interactions energy: -452.186 where: short stacking energy: -251.455 Base-Backbone interact. energy: -0.574 local terms energy: -449.142548 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -158.262 flat angles C4'-P-C4' energy: -101.839 flat angles P-C4'-P energy: -63.731 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: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2883.963836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.963836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.963836 (E_RNA) where: Base-Base interactions energy: -1983.505 where: short stacking energy: -822.620 Base-Backbone interact. energy: -4.772 local terms energy: -895.686806 where: bonds (distance) C4'-P energy: -161.287 bonds (distance) P-C4' energy: -168.828 flat angles C4'-P-C4' energy: -195.983 flat angles P-C4'-P energy: -128.161 tors. eta vs tors. theta energy: -241.428 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: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2736.360686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.360686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.360686 (E_RNA) where: Base-Base interactions energy: -1919.705 where: short stacking energy: -806.135 Base-Backbone interact. energy: -0.515 local terms energy: -816.140512 where: bonds (distance) C4'-P energy: -127.463 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -187.337 flat angles P-C4'-P energy: -111.141 tors. eta vs tors. theta energy: -231.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2674.308600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.308600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.308600 (E_RNA) where: Base-Base interactions energy: -1827.831 where: short stacking energy: -763.118 Base-Backbone interact. energy: -6.117 local terms energy: -840.360734 where: bonds (distance) C4'-P energy: -158.255 bonds (distance) P-C4' energy: -160.306 flat angles C4'-P-C4' energy: -174.406 flat angles P-C4'-P energy: -132.543 tors. eta vs tors. theta energy: -214.851 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: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2556.575814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.575814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.575814 (E_RNA) where: Base-Base interactions energy: -1756.966 where: short stacking energy: -706.704 Base-Backbone interact. energy: 0.977 local terms energy: -800.586845 where: bonds (distance) C4'-P energy: -152.367 bonds (distance) P-C4' energy: -161.175 flat angles C4'-P-C4' energy: -171.571 flat angles P-C4'-P energy: -118.158 tors. eta vs tors. theta energy: -197.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2277.206939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.206939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.206939 (E_RNA) where: Base-Base interactions energy: -1560.395 where: short stacking energy: -657.263 Base-Backbone interact. energy: -4.501 local terms energy: -712.311331 where: bonds (distance) C4'-P energy: -147.055 bonds (distance) P-C4' energy: -152.425 flat angles C4'-P-C4' energy: -155.533 flat angles P-C4'-P energy: -94.793 tors. eta vs tors. theta energy: -162.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2169.702367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.702367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.702367 (E_RNA) where: Base-Base interactions energy: -1477.088 where: short stacking energy: -612.328 Base-Backbone interact. energy: 0.531 local terms energy: -693.145893 where: bonds (distance) C4'-P energy: -133.904 bonds (distance) P-C4' energy: -151.967 flat angles C4'-P-C4' energy: -145.804 flat angles P-C4'-P energy: -95.943 tors. eta vs tors. theta energy: -165.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1963.683549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.683549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.683549 (E_RNA) where: Base-Base interactions energy: -1294.919 where: short stacking energy: -559.864 Base-Backbone interact. energy: -0.093 local terms energy: -668.671211 where: bonds (distance) C4'-P energy: -135.935 bonds (distance) P-C4' energy: -135.240 flat angles C4'-P-C4' energy: -159.309 flat angles P-C4'-P energy: -88.986 tors. eta vs tors. theta energy: -149.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1496.968338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.968338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.968338 (E_RNA) where: Base-Base interactions energy: -908.098 where: short stacking energy: -423.163 Base-Backbone interact. energy: -0.878 local terms energy: -587.992550 where: bonds (distance) C4'-P energy: -139.074 bonds (distance) P-C4' energy: -147.136 flat angles C4'-P-C4' energy: -137.986 flat angles P-C4'-P energy: -97.749 tors. eta vs tors. theta energy: -66.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1023.718501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.718501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.718501 (E_RNA) where: Base-Base interactions energy: -557.586 where: short stacking energy: -297.372 Base-Backbone interact. energy: -0.959 local terms energy: -465.173434 where: bonds (distance) C4'-P energy: -139.207 bonds (distance) P-C4' energy: -138.469 flat angles C4'-P-C4' energy: -128.301 flat angles P-C4'-P energy: -49.640 tors. eta vs tors. theta energy: -9.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -832.316727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.316727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.316727 (E_RNA) where: Base-Base interactions energy: -411.115 where: short stacking energy: -238.140 Base-Backbone interact. energy: -2.697 local terms energy: -418.504712 where: bonds (distance) C4'-P energy: -115.757 bonds (distance) P-C4' energy: -134.408 flat angles C4'-P-C4' energy: -117.463 flat angles P-C4'-P energy: -48.865 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2878.492207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.492207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.492207 (E_RNA) where: Base-Base interactions energy: -1983.748 where: short stacking energy: -847.382 Base-Backbone interact. energy: -2.088 local terms energy: -892.655618 where: bonds (distance) C4'-P energy: -155.197 bonds (distance) P-C4' energy: -171.295 flat angles C4'-P-C4' energy: -176.799 flat angles P-C4'-P energy: -127.317 tors. eta vs tors. theta energy: -262.047 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: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2765.712187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.712187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.712187 (E_RNA) where: Base-Base interactions energy: -1897.206 where: short stacking energy: -785.534 Base-Backbone interact. energy: 0.619 local terms energy: -869.124953 where: bonds (distance) C4'-P energy: -151.794 bonds (distance) P-C4' energy: -170.367 flat angles C4'-P-C4' energy: -191.075 flat angles P-C4'-P energy: -127.451 tors. eta vs tors. theta energy: -228.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2642.607888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.607888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.607888 (E_RNA) where: Base-Base interactions energy: -1825.519 where: short stacking energy: -749.986 Base-Backbone interact. energy: 0.518 local terms energy: -817.606423 where: bonds (distance) C4'-P energy: -158.388 bonds (distance) P-C4' energy: -162.477 flat angles C4'-P-C4' energy: -180.412 flat angles P-C4'-P energy: -107.569 tors. eta vs tors. theta energy: -208.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2491.069662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.069662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.069662 (E_RNA) where: Base-Base interactions energy: -1723.905 where: short stacking energy: -676.840 Base-Backbone interact. energy: 0.331 local terms energy: -767.495889 where: bonds (distance) C4'-P energy: -146.540 bonds (distance) P-C4' energy: -148.150 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -113.396 tors. eta vs tors. theta energy: -199.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2283.027844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.027844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.027844 (E_RNA) where: Base-Base interactions energy: -1552.122 where: short stacking energy: -663.715 Base-Backbone interact. energy: -3.637 local terms energy: -727.269342 where: bonds (distance) C4'-P energy: -142.710 bonds (distance) P-C4' energy: -156.060 flat angles C4'-P-C4' energy: -157.744 flat angles P-C4'-P energy: -96.794 tors. eta vs tors. theta energy: -173.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2091.892753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.892753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.892753 (E_RNA) where: Base-Base interactions energy: -1397.043 where: short stacking energy: -591.477 Base-Backbone interact. energy: -1.812 local terms energy: -693.037503 where: bonds (distance) C4'-P energy: -127.495 bonds (distance) P-C4' energy: -164.492 flat angles C4'-P-C4' energy: -165.248 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -141.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1977.993130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.993130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.993130 (E_RNA) where: Base-Base interactions energy: -1341.306 where: short stacking energy: -573.914 Base-Backbone interact. energy: 4.981 local terms energy: -641.668622 where: bonds (distance) C4'-P energy: -149.585 bonds (distance) P-C4' energy: -108.941 flat angles C4'-P-C4' energy: -151.652 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -143.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1461.159098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.159098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.159098 (E_RNA) where: Base-Base interactions energy: -919.810 where: short stacking energy: -425.279 Base-Backbone interact. energy: -3.601 local terms energy: -537.748552 where: bonds (distance) C4'-P energy: -141.355 bonds (distance) P-C4' energy: -140.888 flat angles C4'-P-C4' energy: -121.319 flat angles P-C4'-P energy: -65.412 tors. eta vs tors. theta energy: -68.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -996.492772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.492772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.492772 (E_RNA) where: Base-Base interactions energy: -521.344 where: short stacking energy: -277.204 Base-Backbone interact. energy: -1.825 local terms energy: -473.323606 where: bonds (distance) C4'-P energy: -133.930 bonds (distance) P-C4' energy: -124.388 flat angles C4'-P-C4' energy: -131.750 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -6.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -794.480294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.480294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.480294 (E_RNA) where: Base-Base interactions energy: -382.346 where: short stacking energy: -218.465 Base-Backbone interact. energy: 1.632 local terms energy: -413.766295 where: bonds (distance) C4'-P energy: -131.858 bonds (distance) P-C4' energy: -140.439 flat angles C4'-P-C4' energy: -121.231 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: 29.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2894.172027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.172027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.172027 (E_RNA) where: Base-Base interactions energy: -1960.702 where: short stacking energy: -825.193 Base-Backbone interact. energy: -7.162 local terms energy: -926.307375 where: bonds (distance) C4'-P energy: -169.048 bonds (distance) P-C4' energy: -169.751 flat angles C4'-P-C4' energy: -200.907 flat angles P-C4'-P energy: -132.274 tors. eta vs tors. theta energy: -254.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2764.082090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.082090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.082090 (E_RNA) where: Base-Base interactions energy: -1896.884 where: short stacking energy: -788.252 Base-Backbone interact. energy: -4.032 local terms energy: -863.165785 where: bonds (distance) C4'-P energy: -166.114 bonds (distance) P-C4' energy: -158.117 flat angles C4'-P-C4' energy: -189.878 flat angles P-C4'-P energy: -128.658 tors. eta vs tors. theta energy: -220.398 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2688.383139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.383139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.383139 (E_RNA) where: Base-Base interactions energy: -1881.283 where: short stacking energy: -794.489 Base-Backbone interact. energy: -2.362 local terms energy: -804.738002 where: bonds (distance) C4'-P energy: -137.199 bonds (distance) P-C4' energy: -154.939 flat angles C4'-P-C4' energy: -178.362 flat angles P-C4'-P energy: -106.846 tors. eta vs tors. theta energy: -227.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2530.826432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.826432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.826432 (E_RNA) where: Base-Base interactions energy: -1749.990 where: short stacking energy: -679.651 Base-Backbone interact. energy: -5.988 local terms energy: -774.848150 where: bonds (distance) C4'-P energy: -148.707 bonds (distance) P-C4' energy: -139.875 flat angles C4'-P-C4' energy: -180.088 flat angles P-C4'-P energy: -96.935 tors. eta vs tors. theta energy: -209.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2245.199749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.199749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.199749 (E_RNA) where: Base-Base interactions energy: -1499.083 where: short stacking energy: -631.105 Base-Backbone interact. energy: -3.869 local terms energy: -742.247695 where: bonds (distance) C4'-P energy: -143.005 bonds (distance) P-C4' energy: -163.631 flat angles C4'-P-C4' energy: -168.144 flat angles P-C4'-P energy: -99.826 tors. eta vs tors. theta energy: -167.642 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: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2146.740640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.740640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.740640 (E_RNA) where: Base-Base interactions energy: -1434.078 where: short stacking energy: -610.155 Base-Backbone interact. energy: -3.834 local terms energy: -708.829054 where: bonds (distance) C4'-P energy: -145.078 bonds (distance) P-C4' energy: -146.915 flat angles C4'-P-C4' energy: -151.379 flat angles P-C4'-P energy: -98.924 tors. eta vs tors. theta energy: -166.535 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: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2022.833663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.833663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.833663 (E_RNA) where: Base-Base interactions energy: -1354.196 where: short stacking energy: -579.308 Base-Backbone interact. energy: -2.442 local terms energy: -666.195887 where: bonds (distance) C4'-P energy: -143.063 bonds (distance) P-C4' energy: -144.206 flat angles C4'-P-C4' energy: -149.921 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: -148.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1475.929772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.929772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.929772 (E_RNA) where: Base-Base interactions energy: -871.777 where: short stacking energy: -431.119 Base-Backbone interact. energy: 0.104 local terms energy: -604.257166 where: bonds (distance) C4'-P energy: -148.028 bonds (distance) P-C4' energy: -135.689 flat angles C4'-P-C4' energy: -148.632 flat angles P-C4'-P energy: -84.931 tors. eta vs tors. theta energy: -86.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1021.808129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.808129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.808129 (E_RNA) where: Base-Base interactions energy: -546.379 where: short stacking energy: -293.384 Base-Backbone interact. energy: 4.669 local terms energy: -480.098762 where: bonds (distance) C4'-P energy: -117.275 bonds (distance) P-C4' energy: -149.686 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -66.466 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: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -817.155129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.155129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.155129 (E_RNA) where: Base-Base interactions energy: -403.701 where: short stacking energy: -210.751 Base-Backbone interact. energy: 6.853 local terms energy: -420.307560 where: bonds (distance) C4'-P energy: -103.768 bonds (distance) P-C4' energy: -160.608 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: 12.252 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: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2906.585869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.585869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.585869 (E_RNA) where: Base-Base interactions energy: -2011.005 where: short stacking energy: -858.265 Base-Backbone interact. energy: -2.862 local terms energy: -892.719251 where: bonds (distance) C4'-P energy: -163.875 bonds (distance) P-C4' energy: -169.032 flat angles C4'-P-C4' energy: -185.598 flat angles P-C4'-P energy: -115.579 tors. eta vs tors. theta energy: -258.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2749.662326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.662326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.662326 (E_RNA) where: Base-Base interactions energy: -1872.840 where: short stacking energy: -830.304 Base-Backbone interact. energy: 0.627 local terms energy: -877.449167 where: bonds (distance) C4'-P energy: -159.234 bonds (distance) P-C4' energy: -155.936 flat angles C4'-P-C4' energy: -188.453 flat angles P-C4'-P energy: -139.260 tors. eta vs tors. theta energy: -234.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2671.894067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.894067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.894067 (E_RNA) where: Base-Base interactions energy: -1829.813 where: short stacking energy: -755.340 Base-Backbone interact. energy: -4.531 local terms energy: -837.549778 where: bonds (distance) C4'-P energy: -149.578 bonds (distance) P-C4' energy: -158.757 flat angles C4'-P-C4' energy: -183.560 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -234.450 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: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2538.505441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.505441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.505441 (E_RNA) where: Base-Base interactions energy: -1756.072 where: short stacking energy: -689.792 Base-Backbone interact. energy: -5.461 local terms energy: -776.972374 where: bonds (distance) C4'-P energy: -145.880 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -157.567 flat angles P-C4'-P energy: -120.054 tors. eta vs tors. theta energy: -192.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2261.661543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.661543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.661543 (E_RNA) where: Base-Base interactions energy: -1519.832 where: short stacking energy: -627.505 Base-Backbone interact. energy: -1.435 local terms energy: -740.394413 where: bonds (distance) C4'-P energy: -146.421 bonds (distance) P-C4' energy: -156.710 flat angles C4'-P-C4' energy: -167.786 flat angles P-C4'-P energy: -100.628 tors. eta vs tors. theta energy: -168.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2190.373869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.373869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.373869 (E_RNA) where: Base-Base interactions energy: -1483.034 where: short stacking energy: -633.957 Base-Backbone interact. energy: -0.670 local terms energy: -706.669723 where: bonds (distance) C4'-P energy: -123.084 bonds (distance) P-C4' energy: -148.480 flat angles C4'-P-C4' energy: -165.872 flat angles P-C4'-P energy: -100.629 tors. eta vs tors. theta energy: -168.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1974.815853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.815853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.815853 (E_RNA) where: Base-Base interactions energy: -1307.214 where: short stacking energy: -568.399 Base-Backbone interact. energy: 3.154 local terms energy: -670.755442 where: bonds (distance) C4'-P energy: -139.210 bonds (distance) P-C4' energy: -120.756 flat angles C4'-P-C4' energy: -156.337 flat angles P-C4'-P energy: -98.495 tors. eta vs tors. theta energy: -155.958 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: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1452.165344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.165344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.165344 (E_RNA) where: Base-Base interactions energy: -863.200 where: short stacking energy: -398.172 Base-Backbone interact. energy: 0.819 local terms energy: -589.784341 where: bonds (distance) C4'-P energy: -135.232 bonds (distance) P-C4' energy: -148.362 flat angles C4'-P-C4' energy: -143.860 flat angles P-C4'-P energy: -85.674 tors. eta vs tors. theta energy: -76.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -989.808138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.808138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.808138 (E_RNA) where: Base-Base interactions energy: -543.504 where: short stacking energy: -287.685 Base-Backbone interact. energy: 1.889 local terms energy: -448.192960 where: bonds (distance) C4'-P energy: -114.416 bonds (distance) P-C4' energy: -125.836 flat angles C4'-P-C4' energy: -122.912 flat angles P-C4'-P energy: -77.885 tors. eta vs tors. theta energy: -7.143 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: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -773.832696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.832696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.832696 (E_RNA) where: Base-Base interactions energy: -352.897 where: short stacking energy: -192.719 Base-Backbone interact. energy: -1.774 local terms energy: -419.161075 where: bonds (distance) C4'-P energy: -118.151 bonds (distance) P-C4' energy: -138.505 flat angles C4'-P-C4' energy: -97.870 flat angles P-C4'-P energy: -91.388 tors. eta vs tors. theta energy: 26.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2918.601417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.601417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.601417 (E_RNA) where: Base-Base interactions energy: -2015.626 where: short stacking energy: -874.724 Base-Backbone interact. energy: -6.261 local terms energy: -896.714522 where: bonds (distance) C4'-P energy: -157.392 bonds (distance) P-C4' energy: -159.054 flat angles C4'-P-C4' energy: -188.840 flat angles P-C4'-P energy: -133.248 tors. eta vs tors. theta energy: -258.179 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: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2795.324860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.324860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.324860 (E_RNA) where: Base-Base interactions energy: -1913.914 where: short stacking energy: -794.750 Base-Backbone interact. energy: -0.815 local terms energy: -880.595096 where: bonds (distance) C4'-P energy: -162.249 bonds (distance) P-C4' energy: -174.625 flat angles C4'-P-C4' energy: -185.103 flat angles P-C4'-P energy: -123.235 tors. eta vs tors. theta energy: -235.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2701.883707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.883707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.883707 (E_RNA) where: Base-Base interactions energy: -1871.168 where: short stacking energy: -777.929 Base-Backbone interact. energy: -2.906 local terms energy: -827.809792 where: bonds (distance) C4'-P energy: -145.414 bonds (distance) P-C4' energy: -156.862 flat angles C4'-P-C4' energy: -177.956 flat angles P-C4'-P energy: -124.288 tors. eta vs tors. theta energy: -223.290 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: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2559.667317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.667317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.667317 (E_RNA) where: Base-Base interactions energy: -1786.249 where: short stacking energy: -681.460 Base-Backbone interact. energy: -1.397 local terms energy: -772.020945 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -177.039 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -189.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2255.756323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.756323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.756323 (E_RNA) where: Base-Base interactions energy: -1547.101 where: short stacking energy: -634.873 Base-Backbone interact. energy: -3.028 local terms energy: -705.627695 where: bonds (distance) C4'-P energy: -136.056 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -165.744 flat angles P-C4'-P energy: -93.287 tors. eta vs tors. theta energy: -165.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2145.721727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.721727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.721727 (E_RNA) where: Base-Base interactions energy: -1446.415 where: short stacking energy: -596.603 Base-Backbone interact. energy: -0.809 local terms energy: -698.497409 where: bonds (distance) C4'-P energy: -134.688 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -154.219 flat angles P-C4'-P energy: -104.591 tors. eta vs tors. theta energy: -162.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1913.957602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.957602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.957602 (E_RNA) where: Base-Base interactions energy: -1284.516 where: short stacking energy: -572.426 Base-Backbone interact. energy: 6.389 local terms energy: -635.831051 where: bonds (distance) C4'-P energy: -124.557 bonds (distance) P-C4' energy: -149.376 flat angles C4'-P-C4' energy: -153.900 flat angles P-C4'-P energy: -78.295 tors. eta vs tors. theta energy: -129.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1441.978678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.978678 (E_RNA) where: Base-Base interactions energy: -892.107 where: short stacking energy: -423.186 Base-Backbone interact. energy: 4.124 local terms energy: -553.996418 where: bonds (distance) C4'-P energy: -120.044 bonds (distance) P-C4' energy: -140.097 flat angles C4'-P-C4' energy: -131.712 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -77.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -943.047025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.047025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.047025 (E_RNA) where: Base-Base interactions energy: -465.154 where: short stacking energy: -246.651 Base-Backbone interact. energy: 0.967 local terms energy: -478.860546 where: bonds (distance) C4'-P energy: -131.779 bonds (distance) P-C4' energy: -153.840 flat angles C4'-P-C4' energy: -122.108 flat angles P-C4'-P energy: -66.140 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: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -728.858882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.858882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.858882 (E_RNA) where: Base-Base interactions energy: -309.818 where: short stacking energy: -213.442 Base-Backbone interact. energy: 1.081 local terms energy: -420.121584 where: bonds (distance) C4'-P energy: -113.053 bonds (distance) P-C4' energy: -120.437 flat angles C4'-P-C4' energy: -128.335 flat angles P-C4'-P energy: -74.192 tors. eta vs tors. theta energy: 15.895 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: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2899.873450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.873450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.873450 (E_RNA) where: Base-Base interactions energy: -1990.236 where: short stacking energy: -862.181 Base-Backbone interact. energy: -9.628 local terms energy: -900.009393 where: bonds (distance) C4'-P energy: -164.112 bonds (distance) P-C4' energy: -171.995 flat angles C4'-P-C4' energy: -189.445 flat angles P-C4'-P energy: -119.617 tors. eta vs tors. theta energy: -254.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2805.190362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.190362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.190362 (E_RNA) where: Base-Base interactions energy: -1939.748 where: short stacking energy: -826.836 Base-Backbone interact. energy: -7.587 local terms energy: -857.854717 where: bonds (distance) C4'-P energy: -159.832 bonds (distance) P-C4' energy: -157.872 flat angles C4'-P-C4' energy: -172.575 flat angles P-C4'-P energy: -120.993 tors. eta vs tors. theta energy: -246.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2699.434351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.434351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.434351 (E_RNA) where: Base-Base interactions energy: -1868.193 where: short stacking energy: -774.151 Base-Backbone interact. energy: -4.672 local terms energy: -826.569308 where: bonds (distance) C4'-P energy: -144.230 bonds (distance) P-C4' energy: -157.692 flat angles C4'-P-C4' energy: -188.043 flat angles P-C4'-P energy: -115.855 tors. eta vs tors. theta energy: -220.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2510.617273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.617273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.617273 (E_RNA) where: Base-Base interactions energy: -1771.909 where: short stacking energy: -687.272 Base-Backbone interact. energy: 2.947 local terms energy: -741.655041 where: bonds (distance) C4'-P energy: -138.507 bonds (distance) P-C4' energy: -154.007 flat angles C4'-P-C4' energy: -159.531 flat angles P-C4'-P energy: -100.059 tors. eta vs tors. theta energy: -189.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2217.241195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.241195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.241195 (E_RNA) where: Base-Base interactions energy: -1488.911 where: short stacking energy: -643.150 Base-Backbone interact. energy: -2.575 local terms energy: -725.754991 where: bonds (distance) C4'-P energy: -140.291 bonds (distance) P-C4' energy: -163.322 flat angles C4'-P-C4' energy: -151.998 flat angles P-C4'-P energy: -92.639 tors. eta vs tors. theta energy: -177.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2125.774129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.774129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.774129 (E_RNA) where: Base-Base interactions energy: -1423.065 where: short stacking energy: -600.730 Base-Backbone interact. energy: -0.177 local terms energy: -702.532801 where: bonds (distance) C4'-P energy: -139.087 bonds (distance) P-C4' energy: -144.067 flat angles C4'-P-C4' energy: -162.988 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -159.734 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: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1944.059161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.059161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.059161 (E_RNA) where: Base-Base interactions energy: -1283.940 where: short stacking energy: -537.378 Base-Backbone interact. energy: -0.833 local terms energy: -659.287093 where: bonds (distance) C4'-P energy: -131.542 bonds (distance) P-C4' energy: -142.077 flat angles C4'-P-C4' energy: -151.866 flat angles P-C4'-P energy: -109.291 tors. eta vs tors. theta energy: -124.511 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: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1446.682459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.682459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.682459 (E_RNA) where: Base-Base interactions energy: -898.518 where: short stacking energy: -425.009 Base-Backbone interact. energy: -0.157 local terms energy: -548.007405 where: bonds (distance) C4'-P energy: -130.242 bonds (distance) P-C4' energy: -142.117 flat angles C4'-P-C4' energy: -141.961 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -75.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -914.089027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.089027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.089027 (E_RNA) where: Base-Base interactions energy: -445.867 where: short stacking energy: -269.173 Base-Backbone interact. energy: 1.047 local terms energy: -469.269190 where: bonds (distance) C4'-P energy: -139.028 bonds (distance) P-C4' energy: -127.218 flat angles C4'-P-C4' energy: -138.285 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -0.095 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: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -762.423782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.423782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.423782 (E_RNA) where: Base-Base interactions energy: -340.990 where: short stacking energy: -212.984 Base-Backbone interact. energy: -0.543 local terms energy: -420.890949 where: bonds (distance) C4'-P energy: -115.163 bonds (distance) P-C4' energy: -130.685 flat angles C4'-P-C4' energy: -128.891 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: 4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2893.283151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.283151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.283151 (E_RNA) where: Base-Base interactions energy: -1996.627 where: short stacking energy: -863.658 Base-Backbone interact. energy: -2.013 local terms energy: -894.643449 where: bonds (distance) C4'-P energy: -160.299 bonds (distance) P-C4' energy: -168.011 flat angles C4'-P-C4' energy: -190.670 flat angles P-C4'-P energy: -114.820 tors. eta vs tors. theta energy: -260.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2837.466023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.466023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.466023 (E_RNA) where: Base-Base interactions energy: -1990.407 where: short stacking energy: -821.941 Base-Backbone interact. energy: -3.080 local terms energy: -843.978567 where: bonds (distance) C4'-P energy: -151.952 bonds (distance) P-C4' energy: -152.949 flat angles C4'-P-C4' energy: -181.847 flat angles P-C4'-P energy: -119.983 tors. eta vs tors. theta energy: -237.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2677.004197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.004197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.004197 (E_RNA) where: Base-Base interactions energy: -1842.033 where: short stacking energy: -784.108 Base-Backbone interact. energy: -5.636 local terms energy: -829.334459 where: bonds (distance) C4'-P energy: -151.241 bonds (distance) P-C4' energy: -153.473 flat angles C4'-P-C4' energy: -172.234 flat angles P-C4'-P energy: -121.235 tors. eta vs tors. theta energy: -231.151 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: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2538.096104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.096104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.096104 (E_RNA) where: Base-Base interactions energy: -1774.582 where: short stacking energy: -689.514 Base-Backbone interact. energy: 1.302 local terms energy: -764.815988 where: bonds (distance) C4'-P energy: -149.297 bonds (distance) P-C4' energy: -161.763 flat angles C4'-P-C4' energy: -167.286 flat angles P-C4'-P energy: -111.096 tors. eta vs tors. theta energy: -175.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2221.427187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.427187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.427187 (E_RNA) where: Base-Base interactions energy: -1479.685 where: short stacking energy: -618.603 Base-Backbone interact. energy: 1.957 local terms energy: -743.698328 where: bonds (distance) C4'-P energy: -146.970 bonds (distance) P-C4' energy: -158.309 flat angles C4'-P-C4' energy: -154.162 flat angles P-C4'-P energy: -107.655 tors. eta vs tors. theta energy: -176.603 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: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2113.571658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.571658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.571658 (E_RNA) where: Base-Base interactions energy: -1416.587 where: short stacking energy: -606.366 Base-Backbone interact. energy: -1.143 local terms energy: -695.841861 where: bonds (distance) C4'-P energy: -129.079 bonds (distance) P-C4' energy: -165.327 flat angles C4'-P-C4' energy: -168.506 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -138.561 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: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1926.806188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.806188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.806188 (E_RNA) where: Base-Base interactions energy: -1270.006 where: short stacking energy: -539.764 Base-Backbone interact. energy: 1.212 local terms energy: -658.012480 where: bonds (distance) C4'-P energy: -124.967 bonds (distance) P-C4' energy: -154.394 flat angles C4'-P-C4' energy: -159.572 flat angles P-C4'-P energy: -91.770 tors. eta vs tors. theta energy: -127.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1389.428419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.428419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.428419 (E_RNA) where: Base-Base interactions energy: -831.439 where: short stacking energy: -356.731 Base-Backbone interact. energy: 3.354 local terms energy: -561.343162 where: bonds (distance) C4'-P energy: -133.321 bonds (distance) P-C4' energy: -165.034 flat angles C4'-P-C4' energy: -145.144 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -42.154 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: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -928.876710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.876710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.876710 (E_RNA) where: Base-Base interactions energy: -440.038 where: short stacking energy: -282.976 Base-Backbone interact. energy: 0.486 local terms energy: -489.324698 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -141.920 flat angles C4'-P-C4' energy: -121.634 flat angles P-C4'-P energy: -79.362 tors. eta vs tors. theta energy: -19.064 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: 299 Temperature: 1.350000 Total energy: -734.281264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.281264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.281264 (E_RNA) where: Base-Base interactions energy: -326.554 where: short stacking energy: -222.094 Base-Backbone interact. energy: 1.390 local terms energy: -409.117049 where: bonds (distance) C4'-P energy: -112.670 bonds (distance) P-C4' energy: -129.484 flat angles C4'-P-C4' energy: -111.716 flat angles P-C4'-P energy: -53.037 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: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2930.797096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.797096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.797096 (E_RNA) where: Base-Base interactions energy: -2013.547 where: short stacking energy: -861.230 Base-Backbone interact. energy: -7.352 local terms energy: -909.898498 where: bonds (distance) C4'-P energy: -167.749 bonds (distance) P-C4' energy: -172.893 flat angles C4'-P-C4' energy: -177.744 flat angles P-C4'-P energy: -135.266 tors. eta vs tors. theta energy: -256.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2818.146230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.146230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.146230 (E_RNA) where: Base-Base interactions energy: -1948.965 where: short stacking energy: -825.364 Base-Backbone interact. energy: -3.315 local terms energy: -865.865753 where: bonds (distance) C4'-P energy: -157.163 bonds (distance) P-C4' energy: -159.201 flat angles C4'-P-C4' energy: -186.173 flat angles P-C4'-P energy: -118.873 tors. eta vs tors. theta energy: -244.455 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: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2666.224091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.224091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.224091 (E_RNA) where: Base-Base interactions energy: -1831.996 where: short stacking energy: -770.559 Base-Backbone interact. energy: -3.559 local terms energy: -830.669036 where: bonds (distance) C4'-P energy: -157.380 bonds (distance) P-C4' energy: -163.663 flat angles C4'-P-C4' energy: -179.616 flat angles P-C4'-P energy: -105.951 tors. eta vs tors. theta energy: -224.059 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: 300 Temperature: 1.050000 Total energy: -2542.296346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.296346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.296346 (E_RNA) where: Base-Base interactions energy: -1766.484 where: short stacking energy: -707.846 Base-Backbone interact. energy: -1.624 local terms energy: -774.187931 where: bonds (distance) C4'-P energy: -145.954 bonds (distance) P-C4' energy: -157.008 flat angles C4'-P-C4' energy: -175.321 flat angles P-C4'-P energy: -86.650 tors. eta vs tors. theta energy: -209.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2247.479514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.479514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.479514 (E_RNA) where: Base-Base interactions energy: -1522.636 where: short stacking energy: -633.409 Base-Backbone interact. energy: -2.993 local terms energy: -721.850920 where: bonds (distance) C4'-P energy: -156.759 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -153.504 flat angles P-C4'-P energy: -110.853 tors. eta vs tors. theta energy: -156.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2097.852222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.852222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.852222 (E_RNA) where: Base-Base interactions energy: -1387.824 where: short stacking energy: -590.127 Base-Backbone interact. energy: 3.762 local terms energy: -713.790154 where: bonds (distance) C4'-P energy: -166.173 bonds (distance) P-C4' energy: -146.096 flat angles C4'-P-C4' energy: -154.406 flat angles P-C4'-P energy: -108.296 tors. eta vs tors. theta energy: -138.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1870.596636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.596636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.596636 (E_RNA) where: Base-Base interactions energy: -1241.509 where: short stacking energy: -538.876 Base-Backbone interact. energy: -2.628 local terms energy: -626.459702 where: bonds (distance) C4'-P energy: -156.530 bonds (distance) P-C4' energy: -117.807 flat angles C4'-P-C4' energy: -128.729 flat angles P-C4'-P energy: -93.929 tors. eta vs tors. theta energy: -129.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1435.934439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.934439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.934439 (E_RNA) where: Base-Base interactions energy: -905.516 where: short stacking energy: -421.626 Base-Backbone interact. energy: -0.100 local terms energy: -530.318376 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -123.689 flat angles C4'-P-C4' energy: -138.708 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -61.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -868.461235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.461235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.461235 (E_RNA) where: Base-Base interactions energy: -432.026 where: short stacking energy: -220.083 Base-Backbone interact. energy: 1.097 local terms energy: -437.531732 where: bonds (distance) C4'-P energy: -142.557 bonds (distance) P-C4' energy: -152.920 flat angles C4'-P-C4' energy: -109.620 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: 16.723 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: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -763.384470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.384470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.384470 (E_RNA) where: Base-Base interactions energy: -360.944 where: short stacking energy: -216.036 Base-Backbone interact. energy: 1.815 local terms energy: -404.255662 where: bonds (distance) C4'-P energy: -106.258 bonds (distance) P-C4' energy: -137.466 flat angles C4'-P-C4' energy: -106.973 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: 6.380 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: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2890.040248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.040248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.040248 (E_RNA) where: Base-Base interactions energy: -1970.896 where: short stacking energy: -839.899 Base-Backbone interact. energy: -4.686 local terms energy: -914.459188 where: bonds (distance) C4'-P energy: -180.569 bonds (distance) P-C4' energy: -164.759 flat angles C4'-P-C4' energy: -185.540 flat angles P-C4'-P energy: -130.095 tors. eta vs tors. theta energy: -253.496 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: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2819.649206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.649206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.649206 (E_RNA) where: Base-Base interactions energy: -1937.540 where: short stacking energy: -814.567 Base-Backbone interact. energy: -3.878 local terms energy: -878.230835 where: bonds (distance) C4'-P energy: -164.076 bonds (distance) P-C4' energy: -163.401 flat angles C4'-P-C4' energy: -183.849 flat angles P-C4'-P energy: -127.351 tors. eta vs tors. theta energy: -239.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2669.007139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.007139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.007139 (E_RNA) where: Base-Base interactions energy: -1813.896 where: short stacking energy: -786.034 Base-Backbone interact. energy: -0.233 local terms energy: -854.878339 where: bonds (distance) C4'-P energy: -157.931 bonds (distance) P-C4' energy: -155.389 flat angles C4'-P-C4' energy: -176.067 flat angles P-C4'-P energy: -132.874 tors. eta vs tors. theta energy: -232.618 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: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2550.005662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.005662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.005662 (E_RNA) where: Base-Base interactions energy: -1776.031 where: short stacking energy: -725.262 Base-Backbone interact. energy: -0.856 local terms energy: -773.118760 where: bonds (distance) C4'-P energy: -120.579 bonds (distance) P-C4' energy: -135.858 flat angles C4'-P-C4' energy: -189.997 flat angles P-C4'-P energy: -124.236 tors. eta vs tors. theta energy: -202.449 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: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2281.427168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.427168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.427168 (E_RNA) where: Base-Base interactions energy: -1533.363 where: short stacking energy: -659.650 Base-Backbone interact. energy: -1.719 local terms energy: -746.344607 where: bonds (distance) C4'-P energy: -143.524 bonds (distance) P-C4' energy: -147.155 flat angles C4'-P-C4' energy: -173.537 flat angles P-C4'-P energy: -102.658 tors. eta vs tors. theta energy: -179.470 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: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2096.527158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.527158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.527158 (E_RNA) where: Base-Base interactions energy: -1401.449 where: short stacking energy: -596.102 Base-Backbone interact. energy: -1.078 local terms energy: -694.000879 where: bonds (distance) C4'-P energy: -156.110 bonds (distance) P-C4' energy: -130.905 flat angles C4'-P-C4' energy: -158.938 flat angles P-C4'-P energy: -97.320 tors. eta vs tors. theta energy: -150.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1928.288872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.288872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.288872 (E_RNA) where: Base-Base interactions energy: -1270.984 where: short stacking energy: -580.963 Base-Backbone interact. energy: -2.334 local terms energy: -654.971473 where: bonds (distance) C4'-P energy: -125.309 bonds (distance) P-C4' energy: -126.677 flat angles C4'-P-C4' energy: -145.296 flat angles P-C4'-P energy: -105.612 tors. eta vs tors. theta energy: -152.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1402.447822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.447822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.447822 (E_RNA) where: Base-Base interactions energy: -850.258 where: short stacking energy: -401.341 Base-Backbone interact. energy: 2.720 local terms energy: -554.909835 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -121.381 flat angles C4'-P-C4' energy: -139.925 flat angles P-C4'-P energy: -82.688 tors. eta vs tors. theta energy: -72.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -884.087914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.087914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.087914 (E_RNA) where: Base-Base interactions energy: -432.069 where: short stacking energy: -257.601 Base-Backbone interact. energy: 2.692 local terms energy: -454.710947 where: bonds (distance) C4'-P energy: -127.351 bonds (distance) P-C4' energy: -134.387 flat angles C4'-P-C4' energy: -114.873 flat angles P-C4'-P energy: -76.731 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -741.917191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.917191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.917191 (E_RNA) where: Base-Base interactions energy: -308.122 where: short stacking energy: -195.656 Base-Backbone interact. energy: -1.757 local terms energy: -432.038182 where: bonds (distance) C4'-P energy: -114.178 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -126.694 flat angles P-C4'-P energy: -65.123 tors. eta vs tors. theta energy: 0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2874.671950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.671950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.671950 (E_RNA) where: Base-Base interactions energy: -1953.440 where: short stacking energy: -849.807 Base-Backbone interact. energy: 7.026 local terms energy: -928.258440 where: bonds (distance) C4'-P energy: -165.165 bonds (distance) P-C4' energy: -177.239 flat angles C4'-P-C4' energy: -189.593 flat angles P-C4'-P energy: -138.304 tors. eta vs tors. theta energy: -257.958 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: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2824.965260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.965260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.965260 (E_RNA) where: Base-Base interactions energy: -1982.866 where: short stacking energy: -803.927 Base-Backbone interact. energy: -3.228 local terms energy: -838.871661 where: bonds (distance) C4'-P energy: -159.053 bonds (distance) P-C4' energy: -149.095 flat angles C4'-P-C4' energy: -172.256 flat angles P-C4'-P energy: -117.344 tors. eta vs tors. theta energy: -241.123 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: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2673.242398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.242398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.242398 (E_RNA) where: Base-Base interactions energy: -1836.423 where: short stacking energy: -784.046 Base-Backbone interact. energy: -4.480 local terms energy: -832.339729 where: bonds (distance) C4'-P energy: -155.720 bonds (distance) P-C4' energy: -158.334 flat angles C4'-P-C4' energy: -172.752 flat angles P-C4'-P energy: -111.705 tors. eta vs tors. theta energy: -233.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2526.472447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.472447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.472447 (E_RNA) where: Base-Base interactions energy: -1764.283 where: short stacking energy: -697.413 Base-Backbone interact. energy: 2.830 local terms energy: -765.019438 where: bonds (distance) C4'-P energy: -143.539 bonds (distance) P-C4' energy: -139.186 flat angles C4'-P-C4' energy: -174.647 flat angles P-C4'-P energy: -97.919 tors. eta vs tors. theta energy: -209.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2308.741482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.741482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.741482 (E_RNA) where: Base-Base interactions energy: -1561.450 where: short stacking energy: -683.655 Base-Backbone interact. energy: -2.041 local terms energy: -745.250267 where: bonds (distance) C4'-P energy: -135.510 bonds (distance) P-C4' energy: -158.866 flat angles C4'-P-C4' energy: -160.009 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -187.132 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: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2090.861466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.861466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.861466 (E_RNA) where: Base-Base interactions energy: -1364.941 where: short stacking energy: -590.381 Base-Backbone interact. energy: -1.726 local terms energy: -724.194027 where: bonds (distance) C4'-P energy: -156.143 bonds (distance) P-C4' energy: -143.816 flat angles C4'-P-C4' energy: -167.069 flat angles P-C4'-P energy: -97.166 tors. eta vs tors. theta energy: -160.000 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: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1896.878792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.878792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.878792 (E_RNA) where: Base-Base interactions energy: -1255.660 where: short stacking energy: -565.405 Base-Backbone interact. energy: 4.137 local terms energy: -645.356379 where: bonds (distance) C4'-P energy: -134.632 bonds (distance) P-C4' energy: -142.969 flat angles C4'-P-C4' energy: -150.433 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: -142.407 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: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1425.402790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.402790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.402790 (E_RNA) where: Base-Base interactions energy: -871.662 where: short stacking energy: -382.022 Base-Backbone interact. energy: -2.157 local terms energy: -551.583856 where: bonds (distance) C4'-P energy: -120.886 bonds (distance) P-C4' energy: -144.796 flat angles C4'-P-C4' energy: -132.540 flat angles P-C4'-P energy: -96.393 tors. eta vs tors. theta energy: -56.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -841.894595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.894595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.894595 (E_RNA) where: Base-Base interactions energy: -425.596 where: short stacking energy: -238.258 Base-Backbone interact. energy: -1.624 local terms energy: -414.674651 where: bonds (distance) C4'-P energy: -118.529 bonds (distance) P-C4' energy: -122.937 flat angles C4'-P-C4' energy: -111.726 flat angles P-C4'-P energy: -71.150 tors. eta vs tors. theta energy: 9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -725.143924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.143924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.143924 (E_RNA) where: Base-Base interactions energy: -307.110 where: short stacking energy: -187.370 Base-Backbone interact. energy: 1.191 local terms energy: -419.224824 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -145.498 flat angles C4'-P-C4' energy: -105.994 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: 25.833 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: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2869.770336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.770336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.770336 (E_RNA) where: Base-Base interactions energy: -1964.936 where: short stacking energy: -830.345 Base-Backbone interact. energy: -2.292 local terms energy: -902.543198 where: bonds (distance) C4'-P energy: -162.215 bonds (distance) P-C4' energy: -175.628 flat angles C4'-P-C4' energy: -180.509 flat angles P-C4'-P energy: -126.398 tors. eta vs tors. theta energy: -257.794 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: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2816.905709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.905709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.905709 (E_RNA) where: Base-Base interactions energy: -1931.941 where: short stacking energy: -802.192 Base-Backbone interact. energy: -4.961 local terms energy: -880.004187 where: bonds (distance) C4'-P energy: -156.282 bonds (distance) P-C4' energy: -155.340 flat angles C4'-P-C4' energy: -183.216 flat angles P-C4'-P energy: -141.601 tors. eta vs tors. theta energy: -243.565 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: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2687.528442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.528442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.528442 (E_RNA) where: Base-Base interactions energy: -1857.509 where: short stacking energy: -766.549 Base-Backbone interact. energy: -1.091 local terms energy: -828.929345 where: bonds (distance) C4'-P energy: -155.635 bonds (distance) P-C4' energy: -153.575 flat angles C4'-P-C4' energy: -169.955 flat angles P-C4'-P energy: -127.935 tors. eta vs tors. theta energy: -221.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2516.134680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.134680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.134680 (E_RNA) where: Base-Base interactions energy: -1745.452 where: short stacking energy: -705.896 Base-Backbone interact. energy: 0.472 local terms energy: -771.154259 where: bonds (distance) C4'-P energy: -146.621 bonds (distance) P-C4' energy: -157.202 flat angles C4'-P-C4' energy: -159.430 flat angles P-C4'-P energy: -107.726 tors. eta vs tors. theta energy: -200.175 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: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2268.831709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.831709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.831709 (E_RNA) where: Base-Base interactions energy: -1549.820 where: short stacking energy: -658.449 Base-Backbone interact. energy: 1.119 local terms energy: -720.130107 where: bonds (distance) C4'-P energy: -154.600 bonds (distance) P-C4' energy: -150.342 flat angles C4'-P-C4' energy: -154.235 flat angles P-C4'-P energy: -97.345 tors. eta vs tors. theta energy: -163.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2136.261239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.261239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.261239 (E_RNA) where: Base-Base interactions energy: -1405.001 where: short stacking energy: -606.980 Base-Backbone interact. energy: -0.629 local terms energy: -730.631360 where: bonds (distance) C4'-P energy: -134.258 bonds (distance) P-C4' energy: -155.246 flat angles C4'-P-C4' energy: -180.370 flat angles P-C4'-P energy: -97.686 tors. eta vs tors. theta energy: -163.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1976.999882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.999882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.999882 (E_RNA) where: Base-Base interactions energy: -1309.317 where: short stacking energy: -550.850 Base-Backbone interact. energy: -1.265 local terms energy: -666.418521 where: bonds (distance) C4'-P energy: -128.681 bonds (distance) P-C4' energy: -157.202 flat angles C4'-P-C4' energy: -156.221 flat angles P-C4'-P energy: -78.786 tors. eta vs tors. theta energy: -145.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1418.226968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.226968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.226968 (E_RNA) where: Base-Base interactions energy: -894.283 where: short stacking energy: -389.655 Base-Backbone interact. energy: -1.967 local terms energy: -521.976887 where: bonds (distance) C4'-P energy: -130.174 bonds (distance) P-C4' energy: -139.701 flat angles C4'-P-C4' energy: -138.843 flat angles P-C4'-P energy: -73.279 tors. eta vs tors. theta energy: -39.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -872.759593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.759593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.759593 (E_RNA) where: Base-Base interactions energy: -429.660 where: short stacking energy: -226.217 Base-Backbone interact. energy: -1.692 local terms energy: -441.407180 where: bonds (distance) C4'-P energy: -122.869 bonds (distance) P-C4' energy: -139.868 flat angles C4'-P-C4' energy: -126.533 flat angles P-C4'-P energy: -72.952 tors. eta vs tors. theta energy: 20.815 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: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -706.529567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.529567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.529567 (E_RNA) where: Base-Base interactions energy: -311.878 where: short stacking energy: -207.618 Base-Backbone interact. energy: -0.293 local terms energy: -394.358698 where: bonds (distance) C4'-P energy: -124.936 bonds (distance) P-C4' energy: -126.923 flat angles C4'-P-C4' energy: -104.458 flat angles P-C4'-P energy: -59.967 tors. eta vs tors. theta energy: 21.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2875.159786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.159786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.159786 (E_RNA) where: Base-Base interactions energy: -1982.468 where: short stacking energy: -844.544 Base-Backbone interact. energy: -4.038 local terms energy: -888.654502 where: bonds (distance) C4'-P energy: -157.920 bonds (distance) P-C4' energy: -169.444 flat angles C4'-P-C4' energy: -189.491 flat angles P-C4'-P energy: -125.306 tors. eta vs tors. theta energy: -246.493 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: 6 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2799.307309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.307309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.307309 (E_RNA) where: Base-Base interactions energy: -1944.699 where: short stacking energy: -789.091 Base-Backbone interact. energy: -4.446 local terms energy: -850.162195 where: bonds (distance) C4'-P energy: -159.614 bonds (distance) P-C4' energy: -159.661 flat angles C4'-P-C4' energy: -179.186 flat angles P-C4'-P energy: -124.789 tors. eta vs tors. theta energy: -226.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2709.196810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.196810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.196810 (E_RNA) where: Base-Base interactions energy: -1893.630 where: short stacking energy: -782.271 Base-Backbone interact. energy: -4.625 local terms energy: -810.941602 where: bonds (distance) C4'-P energy: -151.045 bonds (distance) P-C4' energy: -145.724 flat angles C4'-P-C4' energy: -176.021 flat angles P-C4'-P energy: -110.793 tors. eta vs tors. theta energy: -227.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2472.012713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.012713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.012713 (E_RNA) where: Base-Base interactions energy: -1705.457 where: short stacking energy: -675.549 Base-Backbone interact. energy: -3.059 local terms energy: -763.496419 where: bonds (distance) C4'-P energy: -154.630 bonds (distance) P-C4' energy: -149.533 flat angles C4'-P-C4' energy: -161.890 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -186.246 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: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2223.782513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.782513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.782513 (E_RNA) where: Base-Base interactions energy: -1495.402 where: short stacking energy: -629.156 Base-Backbone interact. energy: -1.375 local terms energy: -727.005439 where: bonds (distance) C4'-P energy: -144.996 bonds (distance) P-C4' energy: -146.680 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -103.388 tors. eta vs tors. theta energy: -170.786 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: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2151.937760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.937760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.937760 (E_RNA) where: Base-Base interactions energy: -1455.097 where: short stacking energy: -606.186 Base-Backbone interact. energy: -2.970 local terms energy: -693.870944 where: bonds (distance) C4'-P energy: -150.978 bonds (distance) P-C4' energy: -136.567 flat angles C4'-P-C4' energy: -152.166 flat angles P-C4'-P energy: -105.181 tors. eta vs tors. theta energy: -148.980 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: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1967.097235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.097235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.097235 (E_RNA) where: Base-Base interactions energy: -1291.426 where: short stacking energy: -575.040 Base-Backbone interact. energy: -2.325 local terms energy: -673.345848 where: bonds (distance) C4'-P energy: -123.339 bonds (distance) P-C4' energy: -143.897 flat angles C4'-P-C4' energy: -163.224 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -154.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1421.011678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.011678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.011678 (E_RNA) where: Base-Base interactions energy: -886.309 where: short stacking energy: -406.613 Base-Backbone interact. energy: -3.619 local terms energy: -531.083838 where: bonds (distance) C4'-P energy: -127.561 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -130.166 flat angles P-C4'-P energy: -76.826 tors. eta vs tors. theta energy: -68.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -848.961089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.961089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.961089 (E_RNA) where: Base-Base interactions energy: -389.783 where: short stacking energy: -229.310 Base-Backbone interact. energy: -3.525 local terms energy: -455.653730 where: bonds (distance) C4'-P energy: -147.079 bonds (distance) P-C4' energy: -142.643 flat angles C4'-P-C4' energy: -117.758 flat angles P-C4'-P energy: -72.390 tors. eta vs tors. theta energy: 24.216 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: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -698.590075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.590075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.590075 (E_RNA) where: Base-Base interactions energy: -279.035 where: short stacking energy: -200.306 Base-Backbone interact. energy: 3.085 local terms energy: -422.640191 where: bonds (distance) C4'-P energy: -110.344 bonds (distance) P-C4' energy: -149.681 flat angles C4'-P-C4' energy: -112.796 flat angles P-C4'-P energy: -65.827 tors. eta vs tors. theta energy: 16.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2892.468212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.468212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.468212 (E_RNA) where: Base-Base interactions energy: -1972.617 where: short stacking energy: -848.864 Base-Backbone interact. energy: -2.947 local terms energy: -916.903764 where: bonds (distance) C4'-P energy: -156.310 bonds (distance) P-C4' energy: -183.389 flat angles C4'-P-C4' energy: -180.740 flat angles P-C4'-P energy: -134.111 tors. eta vs tors. theta energy: -262.353 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: 6 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2762.479928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.479928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.479928 (E_RNA) where: Base-Base interactions energy: -1910.376 where: short stacking energy: -790.146 Base-Backbone interact. energy: -2.622 local terms energy: -849.482199 where: bonds (distance) C4'-P energy: -159.222 bonds (distance) P-C4' energy: -152.901 flat angles C4'-P-C4' energy: -187.062 flat angles P-C4'-P energy: -110.737 tors. eta vs tors. theta energy: -239.561 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: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2673.997816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.997816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.997816 (E_RNA) where: Base-Base interactions energy: -1854.036 where: short stacking energy: -765.604 Base-Backbone interact. energy: 1.869 local terms energy: -821.830849 where: bonds (distance) C4'-P energy: -159.164 bonds (distance) P-C4' energy: -150.287 flat angles C4'-P-C4' energy: -182.171 flat angles P-C4'-P energy: -109.201 tors. eta vs tors. theta energy: -221.008 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: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2545.803287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.803287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.803287 (E_RNA) where: Base-Base interactions energy: -1755.785 where: short stacking energy: -700.343 Base-Backbone interact. energy: -2.437 local terms energy: -787.581743 where: bonds (distance) C4'-P energy: -153.671 bonds (distance) P-C4' energy: -163.591 flat angles C4'-P-C4' energy: -167.099 flat angles P-C4'-P energy: -106.205 tors. eta vs tors. theta energy: -197.017 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: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2222.552759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.552759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.552759 (E_RNA) where: Base-Base interactions energy: -1493.291 where: short stacking energy: -640.249 Base-Backbone interact. energy: -5.459 local terms energy: -723.802348 where: bonds (distance) C4'-P energy: -145.763 bonds (distance) P-C4' energy: -151.517 flat angles C4'-P-C4' energy: -166.154 flat angles P-C4'-P energy: -98.970 tors. eta vs tors. theta energy: -161.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2080.805125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.805125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.805125 (E_RNA) where: Base-Base interactions energy: -1359.606 where: short stacking energy: -581.053 Base-Backbone interact. energy: -5.197 local terms energy: -716.001902 where: bonds (distance) C4'-P energy: -141.657 bonds (distance) P-C4' energy: -147.551 flat angles C4'-P-C4' energy: -170.336 flat angles P-C4'-P energy: -98.361 tors. eta vs tors. theta energy: -158.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1913.047609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.047609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.047609 (E_RNA) where: Base-Base interactions energy: -1267.804 where: short stacking energy: -550.818 Base-Backbone interact. energy: 2.916 local terms energy: -648.159940 where: bonds (distance) C4'-P energy: -123.705 bonds (distance) P-C4' energy: -137.844 flat angles C4'-P-C4' energy: -160.054 flat angles P-C4'-P energy: -82.708 tors. eta vs tors. theta energy: -143.848 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: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1456.827063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.827063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.827063 (E_RNA) where: Base-Base interactions energy: -884.739 where: short stacking energy: -419.721 Base-Backbone interact. energy: 3.744 local terms energy: -575.831901 where: bonds (distance) C4'-P energy: -138.532 bonds (distance) P-C4' energy: -142.787 flat angles C4'-P-C4' energy: -137.311 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -81.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -859.200458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.200458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.200458 (E_RNA) where: Base-Base interactions energy: -392.886 where: short stacking energy: -235.269 Base-Backbone interact. energy: -1.601 local terms energy: -464.713969 where: bonds (distance) C4'-P energy: -133.778 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -117.195 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: 22.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -739.501197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.501197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.501197 (E_RNA) where: Base-Base interactions energy: -288.573 where: short stacking energy: -191.925 Base-Backbone interact. energy: -2.695 local terms energy: -448.232876 where: bonds (distance) C4'-P energy: -126.847 bonds (distance) P-C4' energy: -154.283 flat angles C4'-P-C4' energy: -117.099 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: 18.262 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: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2898.710793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.710793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.710793 (E_RNA) where: Base-Base interactions energy: -1983.277 where: short stacking energy: -849.725 Base-Backbone interact. energy: -5.157 local terms energy: -910.276302 where: bonds (distance) C4'-P energy: -178.644 bonds (distance) P-C4' energy: -168.662 flat angles C4'-P-C4' energy: -192.264 flat angles P-C4'-P energy: -112.876 tors. eta vs tors. theta energy: -257.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2767.735202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.735202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.735202 (E_RNA) where: Base-Base interactions energy: -1925.749 where: short stacking energy: -799.680 Base-Backbone interact. energy: -1.114 local terms energy: -840.871607 where: bonds (distance) C4'-P energy: -153.104 bonds (distance) P-C4' energy: -162.495 flat angles C4'-P-C4' energy: -167.724 flat angles P-C4'-P energy: -136.735 tors. eta vs tors. theta energy: -220.813 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: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2657.603884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.603884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.603884 (E_RNA) where: Base-Base interactions energy: -1857.895 where: short stacking energy: -780.379 Base-Backbone interact. energy: -1.545 local terms energy: -798.163998 where: bonds (distance) C4'-P energy: -140.846 bonds (distance) P-C4' energy: -143.055 flat angles C4'-P-C4' energy: -174.536 flat angles P-C4'-P energy: -112.757 tors. eta vs tors. theta energy: -226.970 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: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2533.454696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.454696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.454696 (E_RNA) where: Base-Base interactions energy: -1766.247 where: short stacking energy: -716.170 Base-Backbone interact. energy: 4.453 local terms energy: -771.661404 where: bonds (distance) C4'-P energy: -138.269 bonds (distance) P-C4' energy: -156.563 flat angles C4'-P-C4' energy: -177.560 flat angles P-C4'-P energy: -106.254 tors. eta vs tors. theta energy: -193.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2240.358475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.358475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.358475 (E_RNA) where: Base-Base interactions energy: -1534.693 where: short stacking energy: -664.965 Base-Backbone interact. energy: -5.048 local terms energy: -700.617792 where: bonds (distance) C4'-P energy: -123.909 bonds (distance) P-C4' energy: -143.895 flat angles C4'-P-C4' energy: -169.096 flat angles P-C4'-P energy: -89.295 tors. eta vs tors. theta energy: -174.423 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: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2076.206699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.206699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.206699 (E_RNA) where: Base-Base interactions energy: -1398.852 where: short stacking energy: -583.439 Base-Backbone interact. energy: -2.728 local terms energy: -674.627102 where: bonds (distance) C4'-P energy: -145.070 bonds (distance) P-C4' energy: -149.022 flat angles C4'-P-C4' energy: -141.668 flat angles P-C4'-P energy: -89.872 tors. eta vs tors. theta energy: -148.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1903.198075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.198075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.198075 (E_RNA) where: Base-Base interactions energy: -1253.912 where: short stacking energy: -523.751 Base-Backbone interact. energy: 0.690 local terms energy: -649.976880 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -155.388 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -88.303 tors. eta vs tors. theta energy: -133.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1420.567823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.567823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.567823 (E_RNA) where: Base-Base interactions energy: -895.626 where: short stacking energy: -415.837 Base-Backbone interact. energy: 2.246 local terms energy: -527.187723 where: bonds (distance) C4'-P energy: -138.438 bonds (distance) P-C4' energy: -138.011 flat angles C4'-P-C4' energy: -135.507 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -56.646 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: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -869.753768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.753768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.753768 (E_RNA) where: Base-Base interactions energy: -425.947 where: short stacking energy: -280.211 Base-Backbone interact. energy: 3.561 local terms energy: -447.367150 where: bonds (distance) C4'-P energy: -115.875 bonds (distance) P-C4' energy: -142.674 flat angles C4'-P-C4' energy: -106.010 flat angles P-C4'-P energy: -80.694 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -779.255791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.255791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.255791 (E_RNA) where: Base-Base interactions energy: -354.186 where: short stacking energy: -219.575 Base-Backbone interact. energy: 6.287 local terms energy: -431.357293 where: bonds (distance) C4'-P energy: -132.359 bonds (distance) P-C4' energy: -131.658 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -77.083 tors. eta vs tors. theta energy: 18.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2883.948565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.948565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.948565 (E_RNA) where: Base-Base interactions energy: -1980.606 where: short stacking energy: -863.857 Base-Backbone interact. energy: -5.120 local terms energy: -898.222314 where: bonds (distance) C4'-P energy: -155.175 bonds (distance) P-C4' energy: -169.672 flat angles C4'-P-C4' energy: -198.223 flat angles P-C4'-P energy: -119.699 tors. eta vs tors. theta energy: -255.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2783.438927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.438927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.438927 (E_RNA) where: Base-Base interactions energy: -1936.275 where: short stacking energy: -804.409 Base-Backbone interact. energy: -2.688 local terms energy: -844.475546 where: bonds (distance) C4'-P energy: -137.904 bonds (distance) P-C4' energy: -166.755 flat angles C4'-P-C4' energy: -186.066 flat angles P-C4'-P energy: -125.693 tors. eta vs tors. theta energy: -228.057 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: 307 Temperature: 1.000000 Total energy: -2680.100774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.100774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.100774 (E_RNA) where: Base-Base interactions energy: -1870.843 where: short stacking energy: -745.711 Base-Backbone interact. energy: 2.151 local terms energy: -811.408350 where: bonds (distance) C4'-P energy: -148.918 bonds (distance) P-C4' energy: -158.729 flat angles C4'-P-C4' energy: -168.057 flat angles P-C4'-P energy: -115.470 tors. eta vs tors. theta energy: -220.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2538.786105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.786105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.786105 (E_RNA) where: Base-Base interactions energy: -1781.229 where: short stacking energy: -695.566 Base-Backbone interact. energy: -4.266 local terms energy: -753.291590 where: bonds (distance) C4'-P energy: -135.511 bonds (distance) P-C4' energy: -154.480 flat angles C4'-P-C4' energy: -169.127 flat angles P-C4'-P energy: -106.034 tors. eta vs tors. theta energy: -188.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2227.129624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.129624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.129624 (E_RNA) where: Base-Base interactions energy: -1507.955 where: short stacking energy: -610.127 Base-Backbone interact. energy: -2.310 local terms energy: -716.864317 where: bonds (distance) C4'-P energy: -127.271 bonds (distance) P-C4' energy: -167.639 flat angles C4'-P-C4' energy: -169.767 flat angles P-C4'-P energy: -95.440 tors. eta vs tors. theta energy: -156.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2126.078127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.078127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.078127 (E_RNA) where: Base-Base interactions energy: -1438.050 where: short stacking energy: -606.887 Base-Backbone interact. energy: -0.733 local terms energy: -687.294936 where: bonds (distance) C4'-P energy: -140.266 bonds (distance) P-C4' energy: -132.047 flat angles C4'-P-C4' energy: -154.216 flat angles P-C4'-P energy: -101.409 tors. eta vs tors. theta energy: -159.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1956.062036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.062036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.062036 (E_RNA) where: Base-Base interactions energy: -1277.911 where: short stacking energy: -573.141 Base-Backbone interact. energy: -2.001 local terms energy: -676.149763 where: bonds (distance) C4'-P energy: -132.486 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -153.312 flat angles P-C4'-P energy: -90.446 tors. eta vs tors. theta energy: -152.111 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: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1491.656300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.656300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.656300 (E_RNA) where: Base-Base interactions energy: -902.662 where: short stacking energy: -407.765 Base-Backbone interact. energy: -1.723 local terms energy: -587.271224 where: bonds (distance) C4'-P energy: -128.671 bonds (distance) P-C4' energy: -136.767 flat angles C4'-P-C4' energy: -141.587 flat angles P-C4'-P energy: -89.148 tors. eta vs tors. theta energy: -91.098 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: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -906.560853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.560853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.560853 (E_RNA) where: Base-Base interactions energy: -384.032 where: short stacking energy: -253.698 Base-Backbone interact. energy: -1.986 local terms energy: -520.542644 where: bonds (distance) C4'-P energy: -148.469 bonds (distance) P-C4' energy: -163.286 flat angles C4'-P-C4' energy: -128.179 flat angles P-C4'-P energy: -87.515 tors. eta vs tors. theta energy: 6.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -747.396592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.396592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.396592 (E_RNA) where: Base-Base interactions energy: -327.280 where: short stacking energy: -209.608 Base-Backbone interact. energy: -1.802 local terms energy: -418.314944 where: bonds (distance) C4'-P energy: -112.761 bonds (distance) P-C4' energy: -136.344 flat angles C4'-P-C4' energy: -120.214 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: 15.413 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: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2911.181079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.181079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.181079 (E_RNA) where: Base-Base interactions energy: -2024.908 where: short stacking energy: -851.689 Base-Backbone interact. energy: -0.427 local terms energy: -885.846122 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -165.118 flat angles C4'-P-C4' energy: -192.644 flat angles P-C4'-P energy: -126.077 tors. eta vs tors. theta energy: -247.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2715.738026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.738026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.738026 (E_RNA) where: Base-Base interactions energy: -1886.542 where: short stacking energy: -784.185 Base-Backbone interact. energy: 1.611 local terms energy: -830.806701 where: bonds (distance) C4'-P energy: -154.058 bonds (distance) P-C4' energy: -159.605 flat angles C4'-P-C4' energy: -179.849 flat angles P-C4'-P energy: -123.586 tors. eta vs tors. theta energy: -213.709 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: 308 Temperature: 1.000000 Total energy: -2652.128826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.128826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.128826 (E_RNA) where: Base-Base interactions energy: -1820.126 where: short stacking energy: -735.774 Base-Backbone interact. energy: -7.225 local terms energy: -824.777237 where: bonds (distance) C4'-P energy: -153.543 bonds (distance) P-C4' energy: -144.813 flat angles C4'-P-C4' energy: -173.252 flat angles P-C4'-P energy: -125.358 tors. eta vs tors. theta energy: -227.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2578.293030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.293030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.293030 (E_RNA) where: Base-Base interactions energy: -1828.310 where: short stacking energy: -708.748 Base-Backbone interact. energy: 0.507 local terms energy: -750.490076 where: bonds (distance) C4'-P energy: -149.970 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -155.961 flat angles P-C4'-P energy: -104.304 tors. eta vs tors. theta energy: -194.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2299.656991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.656991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.656991 (E_RNA) where: Base-Base interactions energy: -1530.852 where: short stacking energy: -682.179 Base-Backbone interact. energy: 1.536 local terms energy: -770.340791 where: bonds (distance) C4'-P energy: -149.264 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -173.068 flat angles P-C4'-P energy: -113.757 tors. eta vs tors. theta energy: -181.304 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: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2164.646830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.646830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.646830 (E_RNA) where: Base-Base interactions energy: -1442.168 where: short stacking energy: -613.310 Base-Backbone interact. energy: -1.497 local terms energy: -720.981838 where: bonds (distance) C4'-P energy: -155.412 bonds (distance) P-C4' energy: -156.317 flat angles C4'-P-C4' energy: -147.454 flat angles P-C4'-P energy: -95.063 tors. eta vs tors. theta energy: -166.735 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: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1925.731540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.731540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.731540 (E_RNA) where: Base-Base interactions energy: -1270.498 where: short stacking energy: -553.013 Base-Backbone interact. energy: 1.177 local terms energy: -656.411125 where: bonds (distance) C4'-P energy: -156.402 bonds (distance) P-C4' energy: -136.613 flat angles C4'-P-C4' energy: -146.893 flat angles P-C4'-P energy: -81.812 tors. eta vs tors. theta energy: -134.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1416.765535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.765535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.765535 (E_RNA) where: Base-Base interactions energy: -859.231 where: short stacking energy: -397.331 Base-Backbone interact. energy: -3.927 local terms energy: -553.606875 where: bonds (distance) C4'-P energy: -145.036 bonds (distance) P-C4' energy: -127.900 flat angles C4'-P-C4' energy: -132.776 flat angles P-C4'-P energy: -67.774 tors. eta vs tors. theta energy: -80.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -910.630212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.630212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.630212 (E_RNA) where: Base-Base interactions energy: -464.464 where: short stacking energy: -286.154 Base-Backbone interact. energy: 0.571 local terms energy: -446.737899 where: bonds (distance) C4'-P energy: -125.624 bonds (distance) P-C4' energy: -137.758 flat angles C4'-P-C4' energy: -110.804 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: 5.685 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: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -744.181152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.181152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.181152 (E_RNA) where: Base-Base interactions energy: -323.960 where: short stacking energy: -221.979 Base-Backbone interact. energy: 2.568 local terms energy: -422.789393 where: bonds (distance) C4'-P energy: -135.894 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -96.537 flat angles P-C4'-P energy: -69.699 tors. eta vs tors. theta energy: 22.567 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: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2878.224323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.224323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.224323 (E_RNA) where: Base-Base interactions energy: -1966.792 where: short stacking energy: -846.590 Base-Backbone interact. energy: -6.862 local terms energy: -904.570263 where: bonds (distance) C4'-P energy: -176.270 bonds (distance) P-C4' energy: -179.266 flat angles C4'-P-C4' energy: -180.668 flat angles P-C4'-P energy: -121.712 tors. eta vs tors. theta energy: -246.655 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2707.117089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.117089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.117089 (E_RNA) where: Base-Base interactions energy: -1854.221 where: short stacking energy: -778.835 Base-Backbone interact. energy: 2.300 local terms energy: -855.196158 where: bonds (distance) C4'-P energy: -163.258 bonds (distance) P-C4' energy: -166.252 flat angles C4'-P-C4' energy: -185.049 flat angles P-C4'-P energy: -120.878 tors. eta vs tors. theta energy: -219.759 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: 3, replica: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2645.089066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.089066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.089066 (E_RNA) where: Base-Base interactions energy: -1865.247 where: short stacking energy: -761.189 Base-Backbone interact. energy: -3.650 local terms energy: -776.191883 where: bonds (distance) C4'-P energy: -143.078 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -171.017 flat angles P-C4'-P energy: -107.991 tors. eta vs tors. theta energy: -213.431 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: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2591.599980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.599980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.599980 (E_RNA) where: Base-Base interactions energy: -1822.737 where: short stacking energy: -739.594 Base-Backbone interact. energy: -4.378 local terms energy: -764.484566 where: bonds (distance) C4'-P energy: -129.755 bonds (distance) P-C4' energy: -149.217 flat angles C4'-P-C4' energy: -170.951 flat angles P-C4'-P energy: -117.321 tors. eta vs tors. theta energy: -197.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2238.150440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.150440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.150440 (E_RNA) where: Base-Base interactions energy: -1490.414 where: short stacking energy: -652.787 Base-Backbone interact. energy: -1.543 local terms energy: -746.193822 where: bonds (distance) C4'-P energy: -143.330 bonds (distance) P-C4' energy: -157.518 flat angles C4'-P-C4' energy: -164.558 flat angles P-C4'-P energy: -96.236 tors. eta vs tors. theta energy: -184.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2175.045861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.045861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.045861 (E_RNA) where: Base-Base interactions energy: -1465.094 where: short stacking energy: -634.178 Base-Backbone interact. energy: -3.691 local terms energy: -706.261174 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -159.505 flat angles C4'-P-C4' energy: -145.692 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -162.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1867.987552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.987552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.987552 (E_RNA) where: Base-Base interactions energy: -1183.300 where: short stacking energy: -519.017 Base-Backbone interact. energy: -0.195 local terms energy: -684.492131 where: bonds (distance) C4'-P energy: -163.670 bonds (distance) P-C4' energy: -139.985 flat angles C4'-P-C4' energy: -151.693 flat angles P-C4'-P energy: -81.708 tors. eta vs tors. theta energy: -147.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1383.274667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.274667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.274667 (E_RNA) where: Base-Base interactions energy: -865.675 where: short stacking energy: -374.797 Base-Backbone interact. energy: -3.217 local terms energy: -514.382449 where: bonds (distance) C4'-P energy: -120.839 bonds (distance) P-C4' energy: -142.670 flat angles C4'-P-C4' energy: -129.565 flat angles P-C4'-P energy: -77.851 tors. eta vs tors. theta energy: -43.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -909.719624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.719624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.719624 (E_RNA) where: Base-Base interactions energy: -458.901 where: short stacking energy: -258.552 Base-Backbone interact. energy: 2.119 local terms energy: -452.937186 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -141.427 flat angles C4'-P-C4' energy: -110.137 flat angles P-C4'-P energy: -46.568 tors. eta vs tors. theta energy: -19.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -756.394988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.394988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.394988 (E_RNA) where: Base-Base interactions energy: -283.928 where: short stacking energy: -178.828 Base-Backbone interact. energy: -2.680 local terms energy: -469.787088 where: bonds (distance) C4'-P energy: -141.861 bonds (distance) P-C4' energy: -156.441 flat angles C4'-P-C4' energy: -111.592 flat angles P-C4'-P energy: -87.658 tors. eta vs tors. theta energy: 27.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2922.872346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.872346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.872346 (E_RNA) where: Base-Base interactions energy: -2022.255 where: short stacking energy: -843.830 Base-Backbone interact. energy: -5.534 local terms energy: -895.083289 where: bonds (distance) C4'-P energy: -163.563 bonds (distance) P-C4' energy: -159.627 flat angles C4'-P-C4' energy: -182.326 flat angles P-C4'-P energy: -127.211 tors. eta vs tors. theta energy: -262.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2715.130434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.130434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.130434 (E_RNA) where: Base-Base interactions energy: -1856.161 where: short stacking energy: -758.014 Base-Backbone interact. energy: -4.258 local terms energy: -854.710879 where: bonds (distance) C4'-P energy: -169.001 bonds (distance) P-C4' energy: -152.453 flat angles C4'-P-C4' energy: -184.687 flat angles P-C4'-P energy: -131.598 tors. eta vs tors. theta energy: -216.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2650.669020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.669020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.669020 (E_RNA) where: Base-Base interactions energy: -1788.299 where: short stacking energy: -725.921 Base-Backbone interact. energy: -0.364 local terms energy: -862.006790 where: bonds (distance) C4'-P energy: -171.816 bonds (distance) P-C4' energy: -156.390 flat angles C4'-P-C4' energy: -183.719 flat angles P-C4'-P energy: -138.990 tors. eta vs tors. theta energy: -211.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2561.518120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.518120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.518120 (E_RNA) where: Base-Base interactions energy: -1774.724 where: short stacking energy: -728.145 Base-Backbone interact. energy: -3.048 local terms energy: -783.745614 where: bonds (distance) C4'-P energy: -156.754 bonds (distance) P-C4' energy: -133.091 flat angles C4'-P-C4' energy: -171.120 flat angles P-C4'-P energy: -118.843 tors. eta vs tors. theta energy: -203.937 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: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2294.059024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.059024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.059024 (E_RNA) where: Base-Base interactions energy: -1566.618 where: short stacking energy: -657.438 Base-Backbone interact. energy: -1.879 local terms energy: -725.562233 where: bonds (distance) C4'-P energy: -157.104 bonds (distance) P-C4' energy: -161.592 flat angles C4'-P-C4' energy: -157.066 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -158.960 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: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2217.374954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.374954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.374954 (E_RNA) where: Base-Base interactions energy: -1512.428 where: short stacking energy: -657.687 Base-Backbone interact. energy: -2.952 local terms energy: -701.995462 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -157.813 flat angles P-C4'-P energy: -97.092 tors. eta vs tors. theta energy: -171.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1849.624963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.624963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.624963 (E_RNA) where: Base-Base interactions energy: -1201.704 where: short stacking energy: -549.987 Base-Backbone interact. energy: -3.449 local terms energy: -644.471399 where: bonds (distance) C4'-P energy: -117.877 bonds (distance) P-C4' energy: -143.162 flat angles C4'-P-C4' energy: -156.638 flat angles P-C4'-P energy: -85.369 tors. eta vs tors. theta energy: -141.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1359.929662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.929662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.929662 (E_RNA) where: Base-Base interactions energy: -836.782 where: short stacking energy: -376.697 Base-Backbone interact. energy: -0.297 local terms energy: -522.850657 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -147.319 flat angles C4'-P-C4' energy: -125.396 flat angles P-C4'-P energy: -66.701 tors. eta vs tors. theta energy: -43.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -868.349385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.349385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.349385 (E_RNA) where: Base-Base interactions energy: -378.205 where: short stacking energy: -238.226 Base-Backbone interact. energy: -2.489 local terms energy: -487.655267 where: bonds (distance) C4'-P energy: -142.698 bonds (distance) P-C4' energy: -140.285 flat angles C4'-P-C4' energy: -116.032 flat angles P-C4'-P energy: -80.936 tors. eta vs tors. theta energy: -7.704 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: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -775.982028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.982028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.982028 (E_RNA) where: Base-Base interactions energy: -344.052 where: short stacking energy: -224.238 Base-Backbone interact. energy: 3.862 local terms energy: -435.792236 where: bonds (distance) C4'-P energy: -137.599 bonds (distance) P-C4' energy: -125.678 flat angles C4'-P-C4' energy: -113.710 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: 4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2922.356814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.356814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.356814 (E_RNA) where: Base-Base interactions energy: -2015.336 where: short stacking energy: -857.532 Base-Backbone interact. energy: -3.155 local terms energy: -903.866519 where: bonds (distance) C4'-P energy: -163.639 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -184.684 flat angles P-C4'-P energy: -130.678 tors. eta vs tors. theta energy: -258.839 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: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2738.662420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.662420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.662420 (E_RNA) where: Base-Base interactions energy: -1870.016 where: short stacking energy: -767.450 Base-Backbone interact. energy: -2.786 local terms energy: -865.860196 where: bonds (distance) C4'-P energy: -162.889 bonds (distance) P-C4' energy: -159.561 flat angles C4'-P-C4' energy: -186.178 flat angles P-C4'-P energy: -126.619 tors. eta vs tors. theta energy: -230.613 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: 6 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2669.574767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.574767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.574767 (E_RNA) where: Base-Base interactions energy: -1811.255 where: short stacking energy: -749.833 Base-Backbone interact. energy: -5.417 local terms energy: -852.903456 where: bonds (distance) C4'-P energy: -149.459 bonds (distance) P-C4' energy: -174.215 flat angles C4'-P-C4' energy: -191.664 flat angles P-C4'-P energy: -109.559 tors. eta vs tors. theta energy: -228.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2574.137873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.137873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.137873 (E_RNA) where: Base-Base interactions energy: -1791.902 where: short stacking energy: -746.917 Base-Backbone interact. energy: 10.146 local terms energy: -792.381649 where: bonds (distance) C4'-P energy: -139.665 bonds (distance) P-C4' energy: -165.826 flat angles C4'-P-C4' energy: -175.019 flat angles P-C4'-P energy: -106.522 tors. eta vs tors. theta energy: -205.349 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: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2277.415277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.415277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.415277 (E_RNA) where: Base-Base interactions energy: -1561.772 where: short stacking energy: -654.662 Base-Backbone interact. energy: -1.485 local terms energy: -714.159058 where: bonds (distance) C4'-P energy: -148.366 bonds (distance) P-C4' energy: -139.477 flat angles C4'-P-C4' energy: -149.272 flat angles P-C4'-P energy: -108.776 tors. eta vs tors. theta energy: -168.267 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: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2132.878147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.878147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.878147 (E_RNA) where: Base-Base interactions energy: -1389.668 where: short stacking energy: -604.797 Base-Backbone interact. energy: -3.314 local terms energy: -739.895586 where: bonds (distance) C4'-P energy: -151.692 bonds (distance) P-C4' energy: -149.606 flat angles C4'-P-C4' energy: -159.898 flat angles P-C4'-P energy: -101.685 tors. eta vs tors. theta energy: -177.014 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: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1949.449470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.449470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.449470 (E_RNA) where: Base-Base interactions energy: -1285.111 where: short stacking energy: -560.694 Base-Backbone interact. energy: -2.893 local terms energy: -661.445503 where: bonds (distance) C4'-P energy: -131.132 bonds (distance) P-C4' energy: -152.795 flat angles C4'-P-C4' energy: -128.588 flat angles P-C4'-P energy: -94.183 tors. eta vs tors. theta energy: -154.747 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: 8, replica: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1353.988571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.988571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.988571 (E_RNA) where: Base-Base interactions energy: -788.351 where: short stacking energy: -375.362 Base-Backbone interact. energy: 3.451 local terms energy: -569.087938 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -132.165 flat angles C4'-P-C4' energy: -136.069 flat angles P-C4'-P energy: -85.657 tors. eta vs tors. theta energy: -66.129 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: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -791.072714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.072714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.072714 (E_RNA) where: Base-Base interactions energy: -350.844 where: short stacking energy: -204.862 Base-Backbone interact. energy: -2.463 local terms energy: -437.765814 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -146.282 flat angles C4'-P-C4' energy: -107.338 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: 14.067 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: 311 Temperature: 1.350000 Total energy: -802.486986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.486986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.486986 (E_RNA) where: Base-Base interactions energy: -394.616 where: short stacking energy: -225.850 Base-Backbone interact. energy: -2.314 local terms energy: -405.557299 where: bonds (distance) C4'-P energy: -130.541 bonds (distance) P-C4' energy: -117.719 flat angles C4'-P-C4' energy: -109.691 flat angles P-C4'-P energy: -58.984 tors. eta vs tors. theta energy: 11.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2886.134840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.134840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.134840 (E_RNA) where: Base-Base interactions energy: -1973.535 where: short stacking energy: -840.894 Base-Backbone interact. energy: -3.994 local terms energy: -908.605506 where: bonds (distance) C4'-P energy: -178.728 bonds (distance) P-C4' energy: -164.460 flat angles C4'-P-C4' energy: -194.930 flat angles P-C4'-P energy: -112.734 tors. eta vs tors. theta energy: -257.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2741.263401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.263401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.263401 (E_RNA) where: Base-Base interactions energy: -1884.630 where: short stacking energy: -781.890 Base-Backbone interact. energy: -3.239 local terms energy: -853.394255 where: bonds (distance) C4'-P energy: -152.798 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -189.949 flat angles P-C4'-P energy: -127.501 tors. eta vs tors. theta energy: -227.379 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: 3, replica: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2663.474168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.474168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.474168 (E_RNA) where: Base-Base interactions energy: -1836.432 where: short stacking energy: -772.125 Base-Backbone interact. energy: -1.447 local terms energy: -825.594885 where: bonds (distance) C4'-P energy: -140.069 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -192.476 flat angles P-C4'-P energy: -126.325 tors. eta vs tors. theta energy: -216.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2529.750131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.750131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.750131 (E_RNA) where: Base-Base interactions energy: -1749.420 where: short stacking energy: -675.852 Base-Backbone interact. energy: -6.521 local terms energy: -773.808877 where: bonds (distance) C4'-P energy: -146.713 bonds (distance) P-C4' energy: -156.593 flat angles C4'-P-C4' energy: -183.402 flat angles P-C4'-P energy: -95.173 tors. eta vs tors. theta energy: -191.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2236.481965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.481965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.481965 (E_RNA) where: Base-Base interactions energy: -1514.126 where: short stacking energy: -631.458 Base-Backbone interact. energy: 0.669 local terms energy: -723.024164 where: bonds (distance) C4'-P energy: -134.277 bonds (distance) P-C4' energy: -138.596 flat angles C4'-P-C4' energy: -168.268 flat angles P-C4'-P energy: -119.004 tors. eta vs tors. theta energy: -162.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2162.774760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.774760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.774760 (E_RNA) where: Base-Base interactions energy: -1437.866 where: short stacking energy: -634.632 Base-Backbone interact. energy: -3.513 local terms energy: -721.395757 where: bonds (distance) C4'-P energy: -145.006 bonds (distance) P-C4' energy: -138.314 flat angles C4'-P-C4' energy: -150.488 flat angles P-C4'-P energy: -96.467 tors. eta vs tors. theta energy: -191.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1961.125270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.125270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.125270 (E_RNA) where: Base-Base interactions energy: -1300.498 where: short stacking energy: -548.158 Base-Backbone interact. energy: -1.628 local terms energy: -658.999374 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -139.062 flat angles C4'-P-C4' energy: -162.359 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -119.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1366.071243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.071243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.071243 (E_RNA) where: Base-Base interactions energy: -846.653 where: short stacking energy: -365.587 Base-Backbone interact. energy: -5.366 local terms energy: -514.052829 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -136.689 flat angles C4'-P-C4' energy: -138.514 flat angles P-C4'-P energy: -74.300 tors. eta vs tors. theta energy: -47.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -846.452370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.452370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.452370 (E_RNA) where: Base-Base interactions energy: -380.990 where: short stacking energy: -257.487 Base-Backbone interact. energy: 0.713 local terms energy: -466.176230 where: bonds (distance) C4'-P energy: -145.634 bonds (distance) P-C4' energy: -154.778 flat angles C4'-P-C4' energy: -89.776 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: 4.892 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: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -749.046812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.046812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.046812 (E_RNA) where: Base-Base interactions energy: -324.883 where: short stacking energy: -188.889 Base-Backbone interact. energy: 4.229 local terms energy: -428.393111 where: bonds (distance) C4'-P energy: -134.391 bonds (distance) P-C4' energy: -134.482 flat angles C4'-P-C4' energy: -111.929 flat angles P-C4'-P energy: -85.789 tors. eta vs tors. theta energy: 38.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2891.723673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.723673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.723673 (E_RNA) where: Base-Base interactions energy: -2002.114 where: short stacking energy: -840.644 Base-Backbone interact. energy: -4.953 local terms energy: -884.656646 where: bonds (distance) C4'-P energy: -153.086 bonds (distance) P-C4' energy: -167.341 flat angles C4'-P-C4' energy: -176.284 flat angles P-C4'-P energy: -126.159 tors. eta vs tors. theta energy: -261.786 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: 313 Temperature: 0.950000 Total energy: -2767.730834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.730834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.730834 (E_RNA) where: Base-Base interactions energy: -1924.353 where: short stacking energy: -813.523 Base-Backbone interact. energy: -4.757 local terms energy: -838.620318 where: bonds (distance) C4'-P energy: -161.210 bonds (distance) P-C4' energy: -145.950 flat angles C4'-P-C4' energy: -180.804 flat angles P-C4'-P energy: -110.599 tors. eta vs tors. theta energy: -240.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2666.552259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.552259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.552259 (E_RNA) where: Base-Base interactions energy: -1851.487 where: short stacking energy: -777.181 Base-Backbone interact. energy: -5.709 local terms energy: -809.357049 where: bonds (distance) C4'-P energy: -151.506 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -161.877 flat angles P-C4'-P energy: -118.511 tors. eta vs tors. theta energy: -226.083 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: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2568.900930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.900930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.900930 (E_RNA) where: Base-Base interactions energy: -1761.974 where: short stacking energy: -702.321 Base-Backbone interact. energy: -3.263 local terms energy: -803.664172 where: bonds (distance) C4'-P energy: -158.207 bonds (distance) P-C4' energy: -171.511 flat angles C4'-P-C4' energy: -176.842 flat angles P-C4'-P energy: -113.649 tors. eta vs tors. theta energy: -183.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2215.594151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.594151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.594151 (E_RNA) where: Base-Base interactions energy: -1493.103 where: short stacking energy: -650.202 Base-Backbone interact. energy: -1.796 local terms energy: -720.695425 where: bonds (distance) C4'-P energy: -129.800 bonds (distance) P-C4' energy: -151.234 flat angles C4'-P-C4' energy: -156.309 flat angles P-C4'-P energy: -115.889 tors. eta vs tors. theta energy: -167.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2098.204623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.204623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.204623 (E_RNA) where: Base-Base interactions energy: -1433.999 where: short stacking energy: -607.892 Base-Backbone interact. energy: -0.531 local terms energy: -663.675019 where: bonds (distance) C4'-P energy: -131.739 bonds (distance) P-C4' energy: -138.539 flat angles C4'-P-C4' energy: -149.110 flat angles P-C4'-P energy: -95.890 tors. eta vs tors. theta energy: -148.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1983.384039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.384039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.384039 (E_RNA) where: Base-Base interactions energy: -1326.074 where: short stacking energy: -546.015 Base-Backbone interact. energy: -2.380 local terms energy: -654.929846 where: bonds (distance) C4'-P energy: -142.191 bonds (distance) P-C4' energy: -123.495 flat angles C4'-P-C4' energy: -153.609 flat angles P-C4'-P energy: -96.676 tors. eta vs tors. theta energy: -138.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1404.072948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.072948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.072948 (E_RNA) where: Base-Base interactions energy: -848.117 where: short stacking energy: -386.202 Base-Backbone interact. energy: 3.263 local terms energy: -559.218871 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -138.695 flat angles C4'-P-C4' energy: -144.228 flat angles P-C4'-P energy: -62.665 tors. eta vs tors. theta energy: -69.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -806.896392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.896392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.896392 (E_RNA) where: Base-Base interactions energy: -348.025 where: short stacking energy: -217.580 Base-Backbone interact. energy: -4.508 local terms energy: -454.363301 where: bonds (distance) C4'-P energy: -127.002 bonds (distance) P-C4' energy: -154.789 flat angles C4'-P-C4' energy: -126.475 flat angles P-C4'-P energy: -64.912 tors. eta vs tors. theta energy: 18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -729.789847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.789847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.789847 (E_RNA) where: Base-Base interactions energy: -299.662 where: short stacking energy: -199.808 Base-Backbone interact. energy: -2.682 local terms energy: -427.445827 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -133.960 flat angles C4'-P-C4' energy: -143.168 flat angles P-C4'-P energy: -71.507 tors. eta vs tors. theta energy: 43.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2895.258501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.258501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.258501 (E_RNA) where: Base-Base interactions energy: -2006.350 where: short stacking energy: -837.774 Base-Backbone interact. energy: -2.123 local terms energy: -886.785731 where: bonds (distance) C4'-P energy: -156.410 bonds (distance) P-C4' energy: -171.944 flat angles C4'-P-C4' energy: -188.867 flat angles P-C4'-P energy: -117.559 tors. eta vs tors. theta energy: -252.005 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2776.965067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.965067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.965067 (E_RNA) where: Base-Base interactions energy: -1907.788 where: short stacking energy: -791.741 Base-Backbone interact. energy: -2.752 local terms energy: -866.425057 where: bonds (distance) C4'-P energy: -157.012 bonds (distance) P-C4' energy: -161.805 flat angles C4'-P-C4' energy: -179.592 flat angles P-C4'-P energy: -120.589 tors. eta vs tors. theta energy: -247.427 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: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2663.218329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.218329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.218329 (E_RNA) where: Base-Base interactions energy: -1844.052 where: short stacking energy: -780.110 Base-Backbone interact. energy: -1.191 local terms energy: -817.975441 where: bonds (distance) C4'-P energy: -138.541 bonds (distance) P-C4' energy: -154.984 flat angles C4'-P-C4' energy: -172.276 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -237.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2607.507704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.507704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.507704 (E_RNA) where: Base-Base interactions energy: -1813.846 where: short stacking energy: -743.763 Base-Backbone interact. energy: -1.354 local terms energy: -792.308275 where: bonds (distance) C4'-P energy: -151.707 bonds (distance) P-C4' energy: -149.124 flat angles C4'-P-C4' energy: -185.430 flat angles P-C4'-P energy: -92.481 tors. eta vs tors. theta energy: -213.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2179.788386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.788386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.788386 (E_RNA) where: Base-Base interactions energy: -1443.785 where: short stacking energy: -636.564 Base-Backbone interact. energy: -2.231 local terms energy: -733.772915 where: bonds (distance) C4'-P energy: -141.826 bonds (distance) P-C4' energy: -156.062 flat angles C4'-P-C4' energy: -166.739 flat angles P-C4'-P energy: -91.743 tors. eta vs tors. theta energy: -177.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2116.856692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.856692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.856692 (E_RNA) where: Base-Base interactions energy: -1459.427 where: short stacking energy: -610.870 Base-Backbone interact. energy: -1.887 local terms energy: -655.543454 where: bonds (distance) C4'-P energy: -146.396 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -135.965 flat angles P-C4'-P energy: -99.255 tors. eta vs tors. theta energy: -160.683 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: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1944.883814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.883814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.883814 (E_RNA) where: Base-Base interactions energy: -1296.881 where: short stacking energy: -541.511 Base-Backbone interact. energy: 5.546 local terms energy: -653.548409 where: bonds (distance) C4'-P energy: -142.364 bonds (distance) P-C4' energy: -124.069 flat angles C4'-P-C4' energy: -164.553 flat angles P-C4'-P energy: -84.793 tors. eta vs tors. theta energy: -137.769 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: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1376.269147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.269147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.269147 (E_RNA) where: Base-Base interactions energy: -851.786 where: short stacking energy: -410.629 Base-Backbone interact. energy: 2.468 local terms energy: -526.950476 where: bonds (distance) C4'-P energy: -115.936 bonds (distance) P-C4' energy: -142.213 flat angles C4'-P-C4' energy: -116.495 flat angles P-C4'-P energy: -80.966 tors. eta vs tors. theta energy: -71.341 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: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -811.705146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.705146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.705146 (E_RNA) where: Base-Base interactions energy: -367.692 where: short stacking energy: -228.014 Base-Backbone interact. energy: 0.537 local terms energy: -444.550265 where: bonds (distance) C4'-P energy: -113.138 bonds (distance) P-C4' energy: -146.586 flat angles C4'-P-C4' energy: -129.887 flat angles P-C4'-P energy: -64.449 tors. eta vs tors. theta energy: 9.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -700.369560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.369560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.369560 (E_RNA) where: Base-Base interactions energy: -268.804 where: short stacking energy: -163.687 Base-Backbone interact. energy: 3.504 local terms energy: -435.069623 where: bonds (distance) C4'-P energy: -141.128 bonds (distance) P-C4' energy: -141.812 flat angles C4'-P-C4' energy: -130.798 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: 29.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2884.470198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.470198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.470198 (E_RNA) where: Base-Base interactions energy: -1981.055 where: short stacking energy: -822.030 Base-Backbone interact. energy: -3.983 local terms energy: -899.431747 where: bonds (distance) C4'-P energy: -169.125 bonds (distance) P-C4' energy: -177.417 flat angles C4'-P-C4' energy: -174.552 flat angles P-C4'-P energy: -138.472 tors. eta vs tors. theta energy: -239.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2807.586954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.586954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.586954 (E_RNA) where: Base-Base interactions energy: -1933.450 where: short stacking energy: -799.898 Base-Backbone interact. energy: -0.988 local terms energy: -873.148162 where: bonds (distance) C4'-P energy: -177.447 bonds (distance) P-C4' energy: -161.037 flat angles C4'-P-C4' energy: -176.953 flat angles P-C4'-P energy: -120.560 tors. eta vs tors. theta energy: -237.151 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: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2677.100954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.100954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.100954 (E_RNA) where: Base-Base interactions energy: -1849.574 where: short stacking energy: -792.744 Base-Backbone interact. energy: -0.411 local terms energy: -827.116482 where: bonds (distance) C4'-P energy: -151.062 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -173.012 flat angles P-C4'-P energy: -113.010 tors. eta vs tors. theta energy: -232.262 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: 315 Temperature: 1.050000 Total energy: -2509.721922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.721922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.721922 (E_RNA) where: Base-Base interactions energy: -1757.722 where: short stacking energy: -676.096 Base-Backbone interact. energy: -2.998 local terms energy: -749.002494 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -151.993 flat angles C4'-P-C4' energy: -160.076 flat angles P-C4'-P energy: -104.624 tors. eta vs tors. theta energy: -186.493 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: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2194.551375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.551375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.551375 (E_RNA) where: Base-Base interactions energy: -1461.395 where: short stacking energy: -625.424 Base-Backbone interact. energy: 3.341 local terms energy: -736.497266 where: bonds (distance) C4'-P energy: -144.574 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -166.575 flat angles P-C4'-P energy: -92.697 tors. eta vs tors. theta energy: -163.163 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: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2112.928073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.928073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.928073 (E_RNA) where: Base-Base interactions energy: -1425.079 where: short stacking energy: -586.965 Base-Backbone interact. energy: -2.397 local terms energy: -685.452294 where: bonds (distance) C4'-P energy: -138.889 bonds (distance) P-C4' energy: -151.526 flat angles C4'-P-C4' energy: -168.749 flat angles P-C4'-P energy: -89.419 tors. eta vs tors. theta energy: -136.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1992.134842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.134842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.134842 (E_RNA) where: Base-Base interactions energy: -1322.475 where: short stacking energy: -562.478 Base-Backbone interact. energy: 2.525 local terms energy: -672.185511 where: bonds (distance) C4'-P energy: -157.691 bonds (distance) P-C4' energy: -141.135 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -85.811 tors. eta vs tors. theta energy: -143.800 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: 3 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1353.738550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.738550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.738550 (E_RNA) where: Base-Base interactions energy: -838.225 where: short stacking energy: -410.516 Base-Backbone interact. energy: -0.993 local terms energy: -514.520115 where: bonds (distance) C4'-P energy: -110.528 bonds (distance) P-C4' energy: -142.947 flat angles C4'-P-C4' energy: -119.814 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -70.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -819.197671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.197671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.197671 (E_RNA) where: Base-Base interactions energy: -380.096 where: short stacking energy: -227.551 Base-Backbone interact. energy: -4.843 local terms energy: -434.257847 where: bonds (distance) C4'-P energy: -118.979 bonds (distance) P-C4' energy: -150.104 flat angles C4'-P-C4' energy: -99.670 flat angles P-C4'-P energy: -71.010 tors. eta vs tors. theta energy: 5.505 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: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -722.106155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.106155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.106155 (E_RNA) where: Base-Base interactions energy: -285.231 where: short stacking energy: -196.227 Base-Backbone interact. energy: 6.870 local terms energy: -443.744809 where: bonds (distance) C4'-P energy: -127.261 bonds (distance) P-C4' energy: -150.104 flat angles C4'-P-C4' energy: -128.906 flat angles P-C4'-P energy: -51.251 tors. eta vs tors. theta energy: 13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2914.180993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.180993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.180993 (E_RNA) where: Base-Base interactions energy: -2023.411 where: short stacking energy: -828.734 Base-Backbone interact. energy: -8.157 local terms energy: -882.613426 where: bonds (distance) C4'-P energy: -179.138 bonds (distance) P-C4' energy: -146.829 flat angles C4'-P-C4' energy: -182.898 flat angles P-C4'-P energy: -120.341 tors. eta vs tors. theta energy: -253.408 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: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2773.398307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.398307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.398307 (E_RNA) where: Base-Base interactions energy: -1902.092 where: short stacking energy: -796.558 Base-Backbone interact. energy: -2.888 local terms energy: -868.418433 where: bonds (distance) C4'-P energy: -141.692 bonds (distance) P-C4' energy: -162.113 flat angles C4'-P-C4' energy: -185.940 flat angles P-C4'-P energy: -129.936 tors. eta vs tors. theta energy: -248.738 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: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2645.259645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.259645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.259645 (E_RNA) where: Base-Base interactions energy: -1805.773 where: short stacking energy: -755.737 Base-Backbone interact. energy: 2.044 local terms energy: -841.530443 where: bonds (distance) C4'-P energy: -148.502 bonds (distance) P-C4' energy: -159.816 flat angles C4'-P-C4' energy: -180.838 flat angles P-C4'-P energy: -124.477 tors. eta vs tors. theta energy: -227.898 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: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2477.120845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.120845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.120845 (E_RNA) where: Base-Base interactions energy: -1729.612 where: short stacking energy: -698.510 Base-Backbone interact. energy: 3.030 local terms energy: -750.538767 where: bonds (distance) C4'-P energy: -137.135 bonds (distance) P-C4' energy: -152.803 flat angles C4'-P-C4' energy: -177.998 flat angles P-C4'-P energy: -99.278 tors. eta vs tors. theta energy: -183.325 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: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2213.335051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.335051 (E_RNA) where: Base-Base interactions energy: -1482.303 where: short stacking energy: -638.809 Base-Backbone interact. energy: -4.173 local terms energy: -726.859206 where: bonds (distance) C4'-P energy: -133.497 bonds (distance) P-C4' energy: -140.712 flat angles C4'-P-C4' energy: -165.600 flat angles P-C4'-P energy: -120.769 tors. eta vs tors. theta energy: -166.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2088.007792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.007792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.007792 (E_RNA) where: Base-Base interactions energy: -1383.496 where: short stacking energy: -566.610 Base-Backbone interact. energy: 0.429 local terms energy: -704.941145 where: bonds (distance) C4'-P energy: -142.081 bonds (distance) P-C4' energy: -151.681 flat angles C4'-P-C4' energy: -161.202 flat angles P-C4'-P energy: -105.439 tors. eta vs tors. theta energy: -144.539 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: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2093.753945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.753945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.753945 (E_RNA) where: Base-Base interactions energy: -1370.824 where: short stacking energy: -570.831 Base-Backbone interact. energy: -2.782 local terms energy: -720.148421 where: bonds (distance) C4'-P energy: -129.380 bonds (distance) P-C4' energy: -151.288 flat angles C4'-P-C4' energy: -165.978 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -155.063 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: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1217.289190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.289190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.289190 (E_RNA) where: Base-Base interactions energy: -677.094 where: short stacking energy: -336.976 Base-Backbone interact. energy: -0.163 local terms energy: -540.032301 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -144.122 flat angles C4'-P-C4' energy: -134.707 flat angles P-C4'-P energy: -72.636 tors. eta vs tors. theta energy: -42.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -851.383944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.383944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.383944 (E_RNA) where: Base-Base interactions energy: -398.745 where: short stacking energy: -253.313 Base-Backbone interact. energy: 0.338 local terms energy: -452.976486 where: bonds (distance) C4'-P energy: -123.151 bonds (distance) P-C4' energy: -146.761 flat angles C4'-P-C4' energy: -126.851 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -721.880114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.880114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.880114 (E_RNA) where: Base-Base interactions energy: -328.013 where: short stacking energy: -225.955 Base-Backbone interact. energy: 1.757 local terms energy: -395.624143 where: bonds (distance) C4'-P energy: -120.496 bonds (distance) P-C4' energy: -142.466 flat angles C4'-P-C4' energy: -104.301 flat angles P-C4'-P energy: -56.081 tors. eta vs tors. theta energy: 27.719 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: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2896.519868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.519868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.519868 (E_RNA) where: Base-Base interactions energy: -1995.495 where: short stacking energy: -827.244 Base-Backbone interact. energy: -3.737 local terms energy: -897.287066 where: bonds (distance) C4'-P energy: -154.029 bonds (distance) P-C4' energy: -168.320 flat angles C4'-P-C4' energy: -196.771 flat angles P-C4'-P energy: -121.830 tors. eta vs tors. theta energy: -256.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2804.018283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.018283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.018283 (E_RNA) where: Base-Base interactions energy: -1955.863 where: short stacking energy: -808.207 Base-Backbone interact. energy: 1.086 local terms energy: -849.241462 where: bonds (distance) C4'-P energy: -154.141 bonds (distance) P-C4' energy: -153.247 flat angles C4'-P-C4' energy: -179.383 flat angles P-C4'-P energy: -121.666 tors. eta vs tors. theta energy: -240.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2643.205681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.205681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.205681 (E_RNA) where: Base-Base interactions energy: -1829.312 where: short stacking energy: -772.202 Base-Backbone interact. energy: 2.523 local terms energy: -816.417200 where: bonds (distance) C4'-P energy: -148.150 bonds (distance) P-C4' energy: -161.081 flat angles C4'-P-C4' energy: -159.643 flat angles P-C4'-P energy: -127.061 tors. eta vs tors. theta energy: -220.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2547.191496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.191496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.191496 (E_RNA) where: Base-Base interactions energy: -1770.423 where: short stacking energy: -708.976 Base-Backbone interact. energy: 12.902 local terms energy: -789.670259 where: bonds (distance) C4'-P energy: -159.244 bonds (distance) P-C4' energy: -166.453 flat angles C4'-P-C4' energy: -169.367 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -194.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2236.320224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.320224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.320224 (E_RNA) where: Base-Base interactions energy: -1507.528 where: short stacking energy: -664.968 Base-Backbone interact. energy: 1.355 local terms energy: -730.147185 where: bonds (distance) C4'-P energy: -144.893 bonds (distance) P-C4' energy: -142.784 flat angles C4'-P-C4' energy: -156.470 flat angles P-C4'-P energy: -103.578 tors. eta vs tors. theta energy: -182.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2132.383980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.383980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.383980 (E_RNA) where: Base-Base interactions energy: -1419.685 where: short stacking energy: -608.800 Base-Backbone interact. energy: -1.042 local terms energy: -711.657573 where: bonds (distance) C4'-P energy: -135.801 bonds (distance) P-C4' energy: -148.421 flat angles C4'-P-C4' energy: -166.643 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -153.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2051.234917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.234917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.234917 (E_RNA) where: Base-Base interactions energy: -1387.648 where: short stacking energy: -565.080 Base-Backbone interact. energy: -3.056 local terms energy: -660.531682 where: bonds (distance) C4'-P energy: -126.479 bonds (distance) P-C4' energy: -143.883 flat angles C4'-P-C4' energy: -154.383 flat angles P-C4'-P energy: -85.252 tors. eta vs tors. theta energy: -150.535 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: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1255.613668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.613668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.613668 (E_RNA) where: Base-Base interactions energy: -734.414 where: short stacking energy: -372.180 Base-Backbone interact. energy: -1.974 local terms energy: -519.225398 where: bonds (distance) C4'-P energy: -150.365 bonds (distance) P-C4' energy: -132.103 flat angles C4'-P-C4' energy: -100.819 flat angles P-C4'-P energy: -83.943 tors. eta vs tors. theta energy: -51.995 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: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -874.069983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.069983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.069983 (E_RNA) where: Base-Base interactions energy: -422.421 where: short stacking energy: -242.322 Base-Backbone interact. energy: 2.162 local terms energy: -453.811291 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -123.165 flat angles C4'-P-C4' energy: -139.764 flat angles P-C4'-P energy: -79.409 tors. eta vs tors. theta energy: 14.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -747.791334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.791334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.791334 (E_RNA) where: Base-Base interactions energy: -342.170 where: short stacking energy: -197.677 Base-Backbone interact. energy: -3.934 local terms energy: -401.687518 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -121.173 flat angles C4'-P-C4' energy: -99.959 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: 26.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2905.808457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.808457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.808457 (E_RNA) where: Base-Base interactions energy: -1980.185 where: short stacking energy: -861.212 Base-Backbone interact. energy: -2.695 local terms energy: -922.928596 where: bonds (distance) C4'-P energy: -175.354 bonds (distance) P-C4' energy: -170.557 flat angles C4'-P-C4' energy: -196.057 flat angles P-C4'-P energy: -126.593 tors. eta vs tors. theta energy: -254.368 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: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2809.453558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.453558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.453558 (E_RNA) where: Base-Base interactions energy: -1929.947 where: short stacking energy: -816.942 Base-Backbone interact. energy: -5.300 local terms energy: -874.206720 where: bonds (distance) C4'-P energy: -157.344 bonds (distance) P-C4' energy: -165.002 flat angles C4'-P-C4' energy: -175.796 flat angles P-C4'-P energy: -138.397 tors. eta vs tors. theta energy: -237.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2671.658300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.658300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.658300 (E_RNA) where: Base-Base interactions energy: -1824.587 where: short stacking energy: -770.593 Base-Backbone interact. energy: -2.153 local terms energy: -844.918176 where: bonds (distance) C4'-P energy: -159.518 bonds (distance) P-C4' energy: -153.743 flat angles C4'-P-C4' energy: -181.778 flat angles P-C4'-P energy: -124.276 tors. eta vs tors. theta energy: -225.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2530.412963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.412963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.412963 (E_RNA) where: Base-Base interactions energy: -1757.245 where: short stacking energy: -694.338 Base-Backbone interact. energy: 0.408 local terms energy: -773.575937 where: bonds (distance) C4'-P energy: -166.081 bonds (distance) P-C4' energy: -162.565 flat angles C4'-P-C4' energy: -161.307 flat angles P-C4'-P energy: -100.741 tors. eta vs tors. theta energy: -182.883 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: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2183.185691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.185691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.185691 (E_RNA) where: Base-Base interactions energy: -1495.029 where: short stacking energy: -649.323 Base-Backbone interact. energy: -1.571 local terms energy: -686.585641 where: bonds (distance) C4'-P energy: -125.874 bonds (distance) P-C4' energy: -146.513 flat angles C4'-P-C4' energy: -167.883 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -169.302 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: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2170.212872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.212872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.212872 (E_RNA) where: Base-Base interactions energy: -1444.137 where: short stacking energy: -643.876 Base-Backbone interact. energy: -3.559 local terms energy: -722.516699 where: bonds (distance) C4'-P energy: -136.967 bonds (distance) P-C4' energy: -163.381 flat angles C4'-P-C4' energy: -147.322 flat angles P-C4'-P energy: -103.581 tors. eta vs tors. theta energy: -171.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2067.731155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.731155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.731155 (E_RNA) where: Base-Base interactions energy: -1400.170 where: short stacking energy: -611.173 Base-Backbone interact. energy: -1.105 local terms energy: -666.455881 where: bonds (distance) C4'-P energy: -127.737 bonds (distance) P-C4' energy: -132.240 flat angles C4'-P-C4' energy: -164.551 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -158.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1328.407177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.407177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.407177 (E_RNA) where: Base-Base interactions energy: -777.594 where: short stacking energy: -372.812 Base-Backbone interact. energy: 0.354 local terms energy: -551.166871 where: bonds (distance) C4'-P energy: -145.682 bonds (distance) P-C4' energy: -129.023 flat angles C4'-P-C4' energy: -142.291 flat angles P-C4'-P energy: -67.686 tors. eta vs tors. theta energy: -66.485 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: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -896.993831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.993831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.993831 (E_RNA) where: Base-Base interactions energy: -433.199 where: short stacking energy: -282.586 Base-Backbone interact. energy: -0.648 local terms energy: -463.146917 where: bonds (distance) C4'-P energy: -113.172 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -127.616 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -783.688856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.688856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.688856 (E_RNA) where: Base-Base interactions energy: -332.080 where: short stacking energy: -211.314 Base-Backbone interact. energy: 0.089 local terms energy: -451.697337 where: bonds (distance) C4'-P energy: -109.670 bonds (distance) P-C4' energy: -135.436 flat angles C4'-P-C4' energy: -134.242 flat angles P-C4'-P energy: -72.932 tors. eta vs tors. theta energy: 0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2897.973218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.973218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.973218 (E_RNA) where: Base-Base interactions energy: -2007.135 where: short stacking energy: -852.705 Base-Backbone interact. energy: -0.950 local terms energy: -889.888112 where: bonds (distance) C4'-P energy: -154.538 bonds (distance) P-C4' energy: -171.368 flat angles C4'-P-C4' energy: -171.486 flat angles P-C4'-P energy: -137.942 tors. eta vs tors. theta energy: -254.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2767.546286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.546286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.546286 (E_RNA) where: Base-Base interactions energy: -1923.497 where: short stacking energy: -792.853 Base-Backbone interact. energy: 4.096 local terms energy: -848.145378 where: bonds (distance) C4'-P energy: -155.580 bonds (distance) P-C4' energy: -162.002 flat angles C4'-P-C4' energy: -175.464 flat angles P-C4'-P energy: -118.223 tors. eta vs tors. theta energy: -236.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2702.624051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.624051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.624051 (E_RNA) where: Base-Base interactions energy: -1842.229 where: short stacking energy: -772.740 Base-Backbone interact. energy: -4.341 local terms energy: -856.053824 where: bonds (distance) C4'-P energy: -149.854 bonds (distance) P-C4' energy: -176.558 flat angles C4'-P-C4' energy: -181.004 flat angles P-C4'-P energy: -115.081 tors. eta vs tors. theta energy: -233.557 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: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2538.980759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.980759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.980759 (E_RNA) where: Base-Base interactions energy: -1780.258 where: short stacking energy: -732.384 Base-Backbone interact. energy: -0.650 local terms energy: -758.072942 where: bonds (distance) C4'-P energy: -143.261 bonds (distance) P-C4' energy: -154.307 flat angles C4'-P-C4' energy: -155.277 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -202.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2228.456647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.456647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.456647 (E_RNA) where: Base-Base interactions energy: -1508.895 where: short stacking energy: -645.697 Base-Backbone interact. energy: -3.934 local terms energy: -715.627001 where: bonds (distance) C4'-P energy: -123.701 bonds (distance) P-C4' energy: -151.471 flat angles C4'-P-C4' energy: -175.199 flat angles P-C4'-P energy: -100.697 tors. eta vs tors. theta energy: -164.558 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: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2111.621161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.621161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.621161 (E_RNA) where: Base-Base interactions energy: -1408.127 where: short stacking energy: -601.311 Base-Backbone interact. energy: -2.142 local terms energy: -701.352262 where: bonds (distance) C4'-P energy: -135.964 bonds (distance) P-C4' energy: -147.182 flat angles C4'-P-C4' energy: -161.251 flat angles P-C4'-P energy: -92.496 tors. eta vs tors. theta energy: -164.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2081.834486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.834486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.834486 (E_RNA) where: Base-Base interactions energy: -1385.746 where: short stacking energy: -602.598 Base-Backbone interact. energy: -2.101 local terms energy: -693.986875 where: bonds (distance) C4'-P energy: -137.513 bonds (distance) P-C4' energy: -130.214 flat angles C4'-P-C4' energy: -155.783 flat angles P-C4'-P energy: -110.578 tors. eta vs tors. theta energy: -159.900 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: 8, replica: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1289.022775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.022775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.022775 (E_RNA) where: Base-Base interactions energy: -807.216 where: short stacking energy: -381.551 Base-Backbone interact. energy: 2.877 local terms energy: -484.684115 where: bonds (distance) C4'-P energy: -108.609 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -128.732 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -49.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -883.416431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.416431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.416431 (E_RNA) where: Base-Base interactions energy: -426.473 where: short stacking energy: -251.007 Base-Backbone interact. energy: -2.875 local terms energy: -454.068783 where: bonds (distance) C4'-P energy: -119.871 bonds (distance) P-C4' energy: -145.688 flat angles C4'-P-C4' energy: -136.230 flat angles P-C4'-P energy: -42.540 tors. eta vs tors. theta energy: -9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -742.802987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.802987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.802987 (E_RNA) where: Base-Base interactions energy: -329.737 where: short stacking energy: -202.358 Base-Backbone interact. energy: 4.953 local terms energy: -418.018925 where: bonds (distance) C4'-P energy: -110.716 bonds (distance) P-C4' energy: -140.415 flat angles C4'-P-C4' energy: -121.151 flat angles P-C4'-P energy: -73.620 tors. eta vs tors. theta energy: 27.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2892.582014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.582014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.582014 (E_RNA) where: Base-Base interactions energy: -1995.981 where: short stacking energy: -868.187 Base-Backbone interact. energy: -2.648 local terms energy: -893.953205 where: bonds (distance) C4'-P energy: -166.640 bonds (distance) P-C4' energy: -155.018 flat angles C4'-P-C4' energy: -189.331 flat angles P-C4'-P energy: -124.808 tors. eta vs tors. theta energy: -258.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2789.083227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.083227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.083227 (E_RNA) where: Base-Base interactions energy: -1925.348 where: short stacking energy: -802.005 Base-Backbone interact. energy: -1.425 local terms energy: -862.310724 where: bonds (distance) C4'-P energy: -150.429 bonds (distance) P-C4' energy: -162.999 flat angles C4'-P-C4' energy: -187.287 flat angles P-C4'-P energy: -124.031 tors. eta vs tors. theta energy: -237.565 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: 3, replica: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2693.279292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.279292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.279292 (E_RNA) where: Base-Base interactions energy: -1853.517 where: short stacking energy: -795.292 Base-Backbone interact. energy: -0.063 local terms energy: -839.698932 where: bonds (distance) C4'-P energy: -142.630 bonds (distance) P-C4' energy: -168.337 flat angles C4'-P-C4' energy: -175.040 flat angles P-C4'-P energy: -103.207 tors. eta vs tors. theta energy: -250.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2511.134800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.134800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.134800 (E_RNA) where: Base-Base interactions energy: -1746.586 where: short stacking energy: -697.073 Base-Backbone interact. energy: -0.777 local terms energy: -763.771381 where: bonds (distance) C4'-P energy: -157.537 bonds (distance) P-C4' energy: -157.471 flat angles C4'-P-C4' energy: -161.270 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -199.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2242.964285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.964285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.964285 (E_RNA) where: Base-Base interactions energy: -1523.893 where: short stacking energy: -646.670 Base-Backbone interact. energy: -2.260 local terms energy: -716.811025 where: bonds (distance) C4'-P energy: -144.306 bonds (distance) P-C4' energy: -152.362 flat angles C4'-P-C4' energy: -158.996 flat angles P-C4'-P energy: -90.785 tors. eta vs tors. theta energy: -170.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2068.894674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.894674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.894674 (E_RNA) where: Base-Base interactions energy: -1377.478 where: short stacking energy: -585.073 Base-Backbone interact. energy: -2.342 local terms energy: -689.073938 where: bonds (distance) C4'-P energy: -128.527 bonds (distance) P-C4' energy: -146.336 flat angles C4'-P-C4' energy: -156.495 flat angles P-C4'-P energy: -110.362 tors. eta vs tors. theta energy: -147.354 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: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2065.470616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.470616 (E_RNA) where: Base-Base interactions energy: -1362.665 where: short stacking energy: -580.696 Base-Backbone interact. energy: 1.339 local terms energy: -704.144854 where: bonds (distance) C4'-P energy: -129.370 bonds (distance) P-C4' energy: -148.940 flat angles C4'-P-C4' energy: -149.336 flat angles P-C4'-P energy: -110.552 tors. eta vs tors. theta energy: -165.948 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: 3 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1297.604350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.604350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.604350 (E_RNA) where: Base-Base interactions energy: -763.815 where: short stacking energy: -360.444 Base-Backbone interact. energy: -2.524 local terms energy: -531.265495 where: bonds (distance) C4'-P energy: -142.477 bonds (distance) P-C4' energy: -138.986 flat angles C4'-P-C4' energy: -123.432 flat angles P-C4'-P energy: -79.218 tors. eta vs tors. theta energy: -47.153 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: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -901.739448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.739448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.739448 (E_RNA) where: Base-Base interactions energy: -455.533 where: short stacking energy: -249.529 Base-Backbone interact. energy: 3.196 local terms energy: -449.402793 where: bonds (distance) C4'-P energy: -125.267 bonds (distance) P-C4' energy: -137.544 flat angles C4'-P-C4' energy: -112.154 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -749.818831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.818831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.818831 (E_RNA) where: Base-Base interactions energy: -323.874 where: short stacking energy: -185.110 Base-Backbone interact. energy: 0.772 local terms energy: -426.715879 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -124.189 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: 19.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2892.754725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.754725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.754725 (E_RNA) where: Base-Base interactions energy: -1990.579 where: short stacking energy: -832.617 Base-Backbone interact. energy: -3.185 local terms energy: -898.990751 where: bonds (distance) C4'-P energy: -174.508 bonds (distance) P-C4' energy: -174.802 flat angles C4'-P-C4' energy: -181.000 flat angles P-C4'-P energy: -123.505 tors. eta vs tors. theta energy: -245.174 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: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2770.552168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.552168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.552168 (E_RNA) where: Base-Base interactions energy: -1886.261 where: short stacking energy: -777.556 Base-Backbone interact. energy: -1.943 local terms energy: -882.348231 where: bonds (distance) C4'-P energy: -177.731 bonds (distance) P-C4' energy: -163.141 flat angles C4'-P-C4' energy: -180.121 flat angles P-C4'-P energy: -115.929 tors. eta vs tors. theta energy: -245.426 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: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2690.657839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.657839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.657839 (E_RNA) where: Base-Base interactions energy: -1843.879 where: short stacking energy: -745.618 Base-Backbone interact. energy: -1.686 local terms energy: -845.093218 where: bonds (distance) C4'-P energy: -155.196 bonds (distance) P-C4' energy: -143.198 flat angles C4'-P-C4' energy: -192.268 flat angles P-C4'-P energy: -122.912 tors. eta vs tors. theta energy: -231.520 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: 321 Temperature: 1.050000 Total energy: -2537.717836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.717836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.717836 (E_RNA) where: Base-Base interactions energy: -1782.165 where: short stacking energy: -720.186 Base-Backbone interact. energy: 3.223 local terms energy: -758.775678 where: bonds (distance) C4'-P energy: -135.892 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -175.736 flat angles P-C4'-P energy: -118.838 tors. eta vs tors. theta energy: -191.911 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: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2241.995917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.995917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.995917 (E_RNA) where: Base-Base interactions energy: -1528.706 where: short stacking energy: -629.702 Base-Backbone interact. energy: 1.428 local terms energy: -714.717635 where: bonds (distance) C4'-P energy: -130.011 bonds (distance) P-C4' energy: -155.606 flat angles C4'-P-C4' energy: -168.036 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: -158.017 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: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2007.799119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.799119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.799119 (E_RNA) where: Base-Base interactions energy: -1360.764 where: short stacking energy: -559.684 Base-Backbone interact. energy: -8.469 local terms energy: -638.565952 where: bonds (distance) C4'-P energy: -123.188 bonds (distance) P-C4' energy: -127.032 flat angles C4'-P-C4' energy: -137.872 flat angles P-C4'-P energy: -104.905 tors. eta vs tors. theta energy: -145.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2026.649350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.649350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.649350 (E_RNA) where: Base-Base interactions energy: -1397.288 where: short stacking energy: -594.241 Base-Backbone interact. energy: -1.764 local terms energy: -627.597981 where: bonds (distance) C4'-P energy: -123.860 bonds (distance) P-C4' energy: -130.184 flat angles C4'-P-C4' energy: -140.912 flat angles P-C4'-P energy: -74.584 tors. eta vs tors. theta energy: -158.058 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: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1276.209247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.209247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.209247 (E_RNA) where: Base-Base interactions energy: -736.192 where: short stacking energy: -365.884 Base-Backbone interact. energy: 1.952 local terms energy: -541.968889 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -151.243 flat angles C4'-P-C4' energy: -127.555 flat angles P-C4'-P energy: -78.683 tors. eta vs tors. theta energy: -51.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -879.130598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.130598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.130598 (E_RNA) where: Base-Base interactions energy: -400.076 where: short stacking energy: -254.057 Base-Backbone interact. energy: 4.298 local terms energy: -483.352227 where: bonds (distance) C4'-P energy: -123.850 bonds (distance) P-C4' energy: -145.479 flat angles C4'-P-C4' energy: -145.717 flat angles P-C4'-P energy: -67.621 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -747.744983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.744983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.744983 (E_RNA) where: Base-Base interactions energy: -360.849 where: short stacking energy: -237.235 Base-Backbone interact. energy: 1.538 local terms energy: -388.434438 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -128.150 flat angles P-C4'-P energy: -54.300 tors. eta vs tors. theta energy: 19.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2892.809588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.809588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.809588 (E_RNA) where: Base-Base interactions energy: -1998.461 where: short stacking energy: -812.743 Base-Backbone interact. energy: -1.732 local terms energy: -892.616616 where: bonds (distance) C4'-P energy: -168.975 bonds (distance) P-C4' energy: -159.945 flat angles C4'-P-C4' energy: -184.075 flat angles P-C4'-P energy: -133.940 tors. eta vs tors. theta energy: -245.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2764.238203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.238203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.238203 (E_RNA) where: Base-Base interactions energy: -1895.122 where: short stacking energy: -796.192 Base-Backbone interact. energy: -0.604 local terms energy: -868.511857 where: bonds (distance) C4'-P energy: -166.626 bonds (distance) P-C4' energy: -158.437 flat angles C4'-P-C4' energy: -187.250 flat angles P-C4'-P energy: -115.125 tors. eta vs tors. theta energy: -241.074 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: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2666.081833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.081833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.081833 (E_RNA) where: Base-Base interactions energy: -1850.047 where: short stacking energy: -771.784 Base-Backbone interact. energy: -3.937 local terms energy: -812.097826 where: bonds (distance) C4'-P energy: -146.398 bonds (distance) P-C4' energy: -153.730 flat angles C4'-P-C4' energy: -179.096 flat angles P-C4'-P energy: -107.713 tors. eta vs tors. theta energy: -225.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2506.929960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.929960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.929960 (E_RNA) where: Base-Base interactions energy: -1744.175 where: short stacking energy: -702.881 Base-Backbone interact. energy: -3.734 local terms energy: -759.020935 where: bonds (distance) C4'-P energy: -144.474 bonds (distance) P-C4' energy: -151.219 flat angles C4'-P-C4' energy: -177.352 flat angles P-C4'-P energy: -113.650 tors. eta vs tors. theta energy: -172.325 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: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2217.080824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.080824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.080824 (E_RNA) where: Base-Base interactions energy: -1510.612 where: short stacking energy: -650.568 Base-Backbone interact. energy: -2.470 local terms energy: -703.998643 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -126.421 flat angles C4'-P-C4' energy: -168.016 flat angles P-C4'-P energy: -94.246 tors. eta vs tors. theta energy: -172.283 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: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2098.246783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.246783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.246783 (E_RNA) where: Base-Base interactions energy: -1409.332 where: short stacking energy: -605.584 Base-Backbone interact. energy: 0.234 local terms energy: -689.148638 where: bonds (distance) C4'-P energy: -125.938 bonds (distance) P-C4' energy: -156.971 flat angles C4'-P-C4' energy: -149.835 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -159.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2000.679484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.679484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.679484 (E_RNA) where: Base-Base interactions energy: -1300.256 where: short stacking energy: -545.483 Base-Backbone interact. energy: 4.289 local terms energy: -704.712417 where: bonds (distance) C4'-P energy: -161.463 bonds (distance) P-C4' energy: -142.845 flat angles C4'-P-C4' energy: -166.963 flat angles P-C4'-P energy: -101.966 tors. eta vs tors. theta energy: -131.475 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: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1230.063080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.063080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.063080 (E_RNA) where: Base-Base interactions energy: -689.400 where: short stacking energy: -369.459 Base-Backbone interact. energy: -2.051 local terms energy: -538.611572 where: bonds (distance) C4'-P energy: -130.922 bonds (distance) P-C4' energy: -137.634 flat angles C4'-P-C4' energy: -127.887 flat angles P-C4'-P energy: -78.709 tors. eta vs tors. theta energy: -63.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -841.758187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.758187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.758187 (E_RNA) where: Base-Base interactions energy: -409.695 where: short stacking energy: -236.701 Base-Backbone interact. energy: 2.015 local terms energy: -434.079054 where: bonds (distance) C4'-P energy: -136.730 bonds (distance) P-C4' energy: -124.983 flat angles C4'-P-C4' energy: -130.409 flat angles P-C4'-P energy: -57.456 tors. eta vs tors. theta energy: 15.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -727.250540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.250540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.250540 (E_RNA) where: Base-Base interactions energy: -319.822 where: short stacking energy: -199.928 Base-Backbone interact. energy: -1.831 local terms energy: -405.597235 where: bonds (distance) C4'-P energy: -129.089 bonds (distance) P-C4' energy: -136.874 flat angles C4'-P-C4' energy: -104.372 flat angles P-C4'-P energy: -70.866 tors. eta vs tors. theta energy: 35.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2922.171643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.171643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.171643 (E_RNA) where: Base-Base interactions energy: -2011.436 where: short stacking energy: -848.858 Base-Backbone interact. energy: -5.102 local terms energy: -905.634339 where: bonds (distance) C4'-P energy: -159.195 bonds (distance) P-C4' energy: -171.048 flat angles C4'-P-C4' energy: -193.053 flat angles P-C4'-P energy: -130.488 tors. eta vs tors. theta energy: -251.851 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: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2745.120536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.120536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.120536 (E_RNA) where: Base-Base interactions energy: -1892.363 where: short stacking energy: -786.529 Base-Backbone interact. energy: -0.371 local terms energy: -852.386001 where: bonds (distance) C4'-P energy: -150.524 bonds (distance) P-C4' energy: -152.177 flat angles C4'-P-C4' energy: -182.003 flat angles P-C4'-P energy: -119.753 tors. eta vs tors. theta energy: -247.929 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: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2677.465083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.465083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.465083 (E_RNA) where: Base-Base interactions energy: -1859.430 where: short stacking energy: -780.120 Base-Backbone interact. energy: -5.380 local terms energy: -812.655004 where: bonds (distance) C4'-P energy: -147.864 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -162.645 flat angles P-C4'-P energy: -125.758 tors. eta vs tors. theta energy: -235.667 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: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2472.569447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.569447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.569447 (E_RNA) where: Base-Base interactions energy: -1747.597 where: short stacking energy: -684.789 Base-Backbone interact. energy: 2.608 local terms energy: -727.579907 where: bonds (distance) C4'-P energy: -147.500 bonds (distance) P-C4' energy: -150.976 flat angles C4'-P-C4' energy: -146.392 flat angles P-C4'-P energy: -109.851 tors. eta vs tors. theta energy: -172.861 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: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2239.640230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.640230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.640230 (E_RNA) where: Base-Base interactions energy: -1505.604 where: short stacking energy: -654.823 Base-Backbone interact. energy: 0.594 local terms energy: -734.630272 where: bonds (distance) C4'-P energy: -140.147 bonds (distance) P-C4' energy: -135.633 flat angles C4'-P-C4' energy: -161.766 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -189.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2108.458567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.458567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.458567 (E_RNA) where: Base-Base interactions energy: -1447.977 where: short stacking energy: -641.789 Base-Backbone interact. energy: 1.043 local terms energy: -661.525171 where: bonds (distance) C4'-P energy: -114.534 bonds (distance) P-C4' energy: -121.669 flat angles C4'-P-C4' energy: -172.146 flat angles P-C4'-P energy: -94.309 tors. eta vs tors. theta energy: -158.867 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: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1939.705624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.705624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.705624 (E_RNA) where: Base-Base interactions energy: -1300.477 where: short stacking energy: -551.227 Base-Backbone interact. energy: 1.139 local terms energy: -640.368133 where: bonds (distance) C4'-P energy: -141.208 bonds (distance) P-C4' energy: -132.598 flat angles C4'-P-C4' energy: -140.824 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -143.139 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: 3 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1332.284748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.284748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.284748 (E_RNA) where: Base-Base interactions energy: -783.151 where: short stacking energy: -358.534 Base-Backbone interact. energy: -4.592 local terms energy: -544.542602 where: bonds (distance) C4'-P energy: -147.624 bonds (distance) P-C4' energy: -124.628 flat angles C4'-P-C4' energy: -140.260 flat angles P-C4'-P energy: -72.801 tors. eta vs tors. theta energy: -59.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -971.791137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.791137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.791137 (E_RNA) where: Base-Base interactions energy: -509.813 where: short stacking energy: -258.293 Base-Backbone interact. energy: 3.209 local terms energy: -465.186864 where: bonds (distance) C4'-P energy: -114.655 bonds (distance) P-C4' energy: -130.358 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -104.848 tors. eta vs tors. theta energy: 2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -723.957382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.957382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.957382 (E_RNA) where: Base-Base interactions energy: -286.774 where: short stacking energy: -183.706 Base-Backbone interact. energy: 1.973 local terms energy: -439.156737 where: bonds (distance) C4'-P energy: -151.102 bonds (distance) P-C4' energy: -146.863 flat angles C4'-P-C4' energy: -104.070 flat angles P-C4'-P energy: -60.519 tors. eta vs tors. theta energy: 23.398 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: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2921.805843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.805843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.805843 (E_RNA) where: Base-Base interactions energy: -2044.780 where: short stacking energy: -833.476 Base-Backbone interact. energy: -2.546 local terms energy: -874.480498 where: bonds (distance) C4'-P energy: -157.924 bonds (distance) P-C4' energy: -164.057 flat angles C4'-P-C4' energy: -182.944 flat angles P-C4'-P energy: -118.979 tors. eta vs tors. theta energy: -250.575 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: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2766.678558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.678558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.678558 (E_RNA) where: Base-Base interactions energy: -1947.306 where: short stacking energy: -787.695 Base-Backbone interact. energy: 1.388 local terms energy: -820.761388 where: bonds (distance) C4'-P energy: -153.514 bonds (distance) P-C4' energy: -167.539 flat angles C4'-P-C4' energy: -177.477 flat angles P-C4'-P energy: -99.047 tors. eta vs tors. theta energy: -223.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2702.686439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.686439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.686439 (E_RNA) where: Base-Base interactions energy: -1853.717 where: short stacking energy: -791.589 Base-Backbone interact. energy: -2.851 local terms energy: -846.118823 where: bonds (distance) C4'-P energy: -159.798 bonds (distance) P-C4' energy: -163.091 flat angles C4'-P-C4' energy: -173.715 flat angles P-C4'-P energy: -121.990 tors. eta vs tors. theta energy: -227.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2525.464190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.464190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.464190 (E_RNA) where: Base-Base interactions energy: -1749.565 where: short stacking energy: -699.342 Base-Backbone interact. energy: -2.370 local terms energy: -773.529091 where: bonds (distance) C4'-P energy: -162.594 bonds (distance) P-C4' energy: -155.703 flat angles C4'-P-C4' energy: -169.047 flat angles P-C4'-P energy: -98.195 tors. eta vs tors. theta energy: -187.991 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: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2254.536729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.536729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.536729 (E_RNA) where: Base-Base interactions energy: -1511.954 where: short stacking energy: -643.587 Base-Backbone interact. energy: -3.216 local terms energy: -739.365984 where: bonds (distance) C4'-P energy: -153.750 bonds (distance) P-C4' energy: -150.194 flat angles C4'-P-C4' energy: -159.457 flat angles P-C4'-P energy: -112.420 tors. eta vs tors. theta energy: -163.544 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: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2195.734718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.734718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.734718 (E_RNA) where: Base-Base interactions energy: -1476.631 where: short stacking energy: -630.384 Base-Backbone interact. energy: -4.762 local terms energy: -714.342165 where: bonds (distance) C4'-P energy: -150.275 bonds (distance) P-C4' energy: -150.561 flat angles C4'-P-C4' energy: -147.942 flat angles P-C4'-P energy: -106.903 tors. eta vs tors. theta energy: -158.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1959.404165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.404165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.404165 (E_RNA) where: Base-Base interactions energy: -1339.301 where: short stacking energy: -582.907 Base-Backbone interact. energy: -6.664 local terms energy: -613.439139 where: bonds (distance) C4'-P energy: -111.370 bonds (distance) P-C4' energy: -118.379 flat angles C4'-P-C4' energy: -150.511 flat angles P-C4'-P energy: -99.973 tors. eta vs tors. theta energy: -133.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1293.949703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.949703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.949703 (E_RNA) where: Base-Base interactions energy: -738.439 where: short stacking energy: -369.782 Base-Backbone interact. energy: -1.777 local terms energy: -553.733709 where: bonds (distance) C4'-P energy: -136.670 bonds (distance) P-C4' energy: -163.305 flat angles C4'-P-C4' energy: -124.026 flat angles P-C4'-P energy: -76.134 tors. eta vs tors. theta energy: -53.598 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: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -914.881466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.881466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.881466 (E_RNA) where: Base-Base interactions energy: -463.576 where: short stacking energy: -264.230 Base-Backbone interact. energy: 6.865 local terms energy: -458.170562 where: bonds (distance) C4'-P energy: -122.178 bonds (distance) P-C4' energy: -145.177 flat angles C4'-P-C4' energy: -100.862 flat angles P-C4'-P energy: -78.911 tors. eta vs tors. theta energy: -11.043 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: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -767.205399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.205399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.205399 (E_RNA) where: Base-Base interactions energy: -337.028 where: short stacking energy: -225.135 Base-Backbone interact. energy: 7.645 local terms energy: -437.823021 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -147.880 flat angles C4'-P-C4' energy: -123.907 flat angles P-C4'-P energy: -50.179 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2912.524680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.524680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.524680 (E_RNA) where: Base-Base interactions energy: -2008.942 where: short stacking energy: -825.860 Base-Backbone interact. energy: -3.403 local terms energy: -900.179459 where: bonds (distance) C4'-P energy: -178.910 bonds (distance) P-C4' energy: -160.906 flat angles C4'-P-C4' energy: -190.220 flat angles P-C4'-P energy: -117.697 tors. eta vs tors. theta energy: -252.445 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: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2707.575514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.575514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.575514 (E_RNA) where: Base-Base interactions energy: -1857.330 where: short stacking energy: -783.842 Base-Backbone interact. energy: 0.070 local terms energy: -850.315166 where: bonds (distance) C4'-P energy: -180.863 bonds (distance) P-C4' energy: -154.043 flat angles C4'-P-C4' energy: -178.417 flat angles P-C4'-P energy: -114.744 tors. eta vs tors. theta energy: -222.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2670.090621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.090621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.090621 (E_RNA) where: Base-Base interactions energy: -1873.831 where: short stacking energy: -741.881 Base-Backbone interact. energy: -3.560 local terms energy: -792.700118 where: bonds (distance) C4'-P energy: -150.115 bonds (distance) P-C4' energy: -148.151 flat angles C4'-P-C4' energy: -179.735 flat angles P-C4'-P energy: -97.684 tors. eta vs tors. theta energy: -217.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2525.333747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.333747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.333747 (E_RNA) where: Base-Base interactions energy: -1747.950 where: short stacking energy: -717.545 Base-Backbone interact. energy: -3.868 local terms energy: -773.516374 where: bonds (distance) C4'-P energy: -138.905 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -159.433 flat angles P-C4'-P energy: -114.217 tors. eta vs tors. theta energy: -205.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2246.929700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.929700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.929700 (E_RNA) where: Base-Base interactions energy: -1489.593 where: short stacking energy: -653.306 Base-Backbone interact. energy: -0.929 local terms energy: -756.407673 where: bonds (distance) C4'-P energy: -135.562 bonds (distance) P-C4' energy: -153.205 flat angles C4'-P-C4' energy: -176.442 flat angles P-C4'-P energy: -104.790 tors. eta vs tors. theta energy: -186.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2211.959048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.959048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.959048 (E_RNA) where: Base-Base interactions energy: -1483.870 where: short stacking energy: -653.298 Base-Backbone interact. energy: -2.953 local terms energy: -725.135930 where: bonds (distance) C4'-P energy: -144.096 bonds (distance) P-C4' energy: -142.333 flat angles C4'-P-C4' energy: -163.610 flat angles P-C4'-P energy: -113.764 tors. eta vs tors. theta energy: -161.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2037.468911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.468911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.468911 (E_RNA) where: Base-Base interactions energy: -1374.661 where: short stacking energy: -587.963 Base-Backbone interact. energy: 2.306 local terms energy: -665.114247 where: bonds (distance) C4'-P energy: -126.856 bonds (distance) P-C4' energy: -142.450 flat angles C4'-P-C4' energy: -159.765 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: -150.412 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: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1344.417634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.417634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.417634 (E_RNA) where: Base-Base interactions energy: -811.019 where: short stacking energy: -403.968 Base-Backbone interact. energy: -2.407 local terms energy: -530.991967 where: bonds (distance) C4'-P energy: -119.078 bonds (distance) P-C4' energy: -135.958 flat angles C4'-P-C4' energy: -107.842 flat angles P-C4'-P energy: -97.864 tors. eta vs tors. theta energy: -70.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -886.769976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.769976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.769976 (E_RNA) where: Base-Base interactions energy: -422.990 where: short stacking energy: -238.011 Base-Backbone interact. energy: 3.954 local terms energy: -467.733367 where: bonds (distance) C4'-P energy: -145.740 bonds (distance) P-C4' energy: -131.761 flat angles C4'-P-C4' energy: -127.129 flat angles P-C4'-P energy: -82.494 tors. eta vs tors. theta energy: 19.391 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: 325 Temperature: 1.350000 Total energy: -705.786960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.786960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.786960 (E_RNA) where: Base-Base interactions energy: -281.399 where: short stacking energy: -188.002 Base-Backbone interact. energy: 8.144 local terms energy: -432.531663 where: bonds (distance) C4'-P energy: -127.062 bonds (distance) P-C4' energy: -144.580 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: 10.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2933.151053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.151053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.151053 (E_RNA) where: Base-Base interactions energy: -2046.114 where: short stacking energy: -850.051 Base-Backbone interact. energy: -5.991 local terms energy: -881.046526 where: bonds (distance) C4'-P energy: -157.566 bonds (distance) P-C4' energy: -157.573 flat angles C4'-P-C4' energy: -180.671 flat angles P-C4'-P energy: -134.373 tors. eta vs tors. theta energy: -250.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2720.771034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.771034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.771034 (E_RNA) where: Base-Base interactions energy: -1867.397 where: short stacking energy: -797.862 Base-Backbone interact. energy: -3.899 local terms energy: -849.474617 where: bonds (distance) C4'-P energy: -146.317 bonds (distance) P-C4' energy: -161.728 flat angles C4'-P-C4' energy: -185.889 flat angles P-C4'-P energy: -109.989 tors. eta vs tors. theta energy: -245.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2691.270722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.270722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.270722 (E_RNA) where: Base-Base interactions energy: -1874.715 where: short stacking energy: -785.014 Base-Backbone interact. energy: -2.167 local terms energy: -814.389385 where: bonds (distance) C4'-P energy: -154.862 bonds (distance) P-C4' energy: -161.735 flat angles C4'-P-C4' energy: -171.570 flat angles P-C4'-P energy: -99.139 tors. eta vs tors. theta energy: -227.083 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: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2545.149976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.149976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.149976 (E_RNA) where: Base-Base interactions energy: -1770.357 where: short stacking energy: -693.874 Base-Backbone interact. energy: 6.715 local terms energy: -781.507778 where: bonds (distance) C4'-P energy: -140.434 bonds (distance) P-C4' energy: -152.604 flat angles C4'-P-C4' energy: -169.888 flat angles P-C4'-P energy: -132.391 tors. eta vs tors. theta energy: -186.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2256.502587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.502587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.502587 (E_RNA) where: Base-Base interactions energy: -1516.301 where: short stacking energy: -637.341 Base-Backbone interact. energy: -4.179 local terms energy: -736.022260 where: bonds (distance) C4'-P energy: -125.860 bonds (distance) P-C4' energy: -151.912 flat angles C4'-P-C4' energy: -177.699 flat angles P-C4'-P energy: -101.221 tors. eta vs tors. theta energy: -179.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2168.559577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.559577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.559577 (E_RNA) where: Base-Base interactions energy: -1453.257 where: short stacking energy: -629.927 Base-Backbone interact. energy: -2.967 local terms energy: -712.335025 where: bonds (distance) C4'-P energy: -148.507 bonds (distance) P-C4' energy: -129.090 flat angles C4'-P-C4' energy: -152.131 flat angles P-C4'-P energy: -114.900 tors. eta vs tors. theta energy: -167.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2023.926202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.926202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.926202 (E_RNA) where: Base-Base interactions energy: -1335.746 where: short stacking energy: -606.014 Base-Backbone interact. energy: -3.336 local terms energy: -684.844156 where: bonds (distance) C4'-P energy: -137.851 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -141.757 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -145.727 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: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1352.799493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.799493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.799493 (E_RNA) where: Base-Base interactions energy: -777.484 where: short stacking energy: -344.705 Base-Backbone interact. energy: 0.206 local terms energy: -575.521161 where: bonds (distance) C4'-P energy: -143.827 bonds (distance) P-C4' energy: -136.748 flat angles C4'-P-C4' energy: -150.569 flat angles P-C4'-P energy: -83.325 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: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -877.946365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.946365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.946365 (E_RNA) where: Base-Base interactions energy: -435.551 where: short stacking energy: -272.090 Base-Backbone interact. energy: 0.595 local terms energy: -442.991063 where: bonds (distance) C4'-P energy: -128.219 bonds (distance) P-C4' energy: -128.638 flat angles C4'-P-C4' energy: -122.246 flat angles P-C4'-P energy: -58.759 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -764.964543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.964543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.964543 (E_RNA) where: Base-Base interactions energy: -335.464 where: short stacking energy: -247.218 Base-Backbone interact. energy: 0.261 local terms energy: -429.761438 where: bonds (distance) C4'-P energy: -109.063 bonds (distance) P-C4' energy: -138.228 flat angles C4'-P-C4' energy: -131.777 flat angles P-C4'-P energy: -60.384 tors. eta vs tors. theta energy: 9.691 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: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2921.928070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.928070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.928070 (E_RNA) where: Base-Base interactions energy: -2008.811 where: short stacking energy: -848.391 Base-Backbone interact. energy: -1.134 local terms energy: -911.983725 where: bonds (distance) C4'-P energy: -168.988 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -195.891 flat angles P-C4'-P energy: -138.090 tors. eta vs tors. theta energy: -254.052 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: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2828.460682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.460682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.460682 (E_RNA) where: Base-Base interactions energy: -1957.661 where: short stacking energy: -819.100 Base-Backbone interact. energy: -6.260 local terms energy: -864.539832 where: bonds (distance) C4'-P energy: -152.991 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -192.751 flat angles P-C4'-P energy: -129.014 tors. eta vs tors. theta energy: -244.185 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: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2683.417885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.417885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.417885 (E_RNA) where: Base-Base interactions energy: -1839.267 where: short stacking energy: -743.423 Base-Backbone interact. energy: -3.200 local terms energy: -840.950422 where: bonds (distance) C4'-P energy: -157.422 bonds (distance) P-C4' energy: -162.341 flat angles C4'-P-C4' energy: -194.152 flat angles P-C4'-P energy: -105.257 tors. eta vs tors. theta energy: -221.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2526.694991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.694991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.694991 (E_RNA) where: Base-Base interactions energy: -1821.240 where: short stacking energy: -701.573 Base-Backbone interact. energy: -1.379 local terms energy: -704.076262 where: bonds (distance) C4'-P energy: -142.057 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -143.522 flat angles P-C4'-P energy: -97.787 tors. eta vs tors. theta energy: -171.484 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: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2249.453706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.453706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.453706 (E_RNA) where: Base-Base interactions energy: -1518.851 where: short stacking energy: -653.982 Base-Backbone interact. energy: -1.173 local terms energy: -729.430068 where: bonds (distance) C4'-P energy: -142.044 bonds (distance) P-C4' energy: -154.788 flat angles C4'-P-C4' energy: -173.089 flat angles P-C4'-P energy: -102.640 tors. eta vs tors. theta energy: -156.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2226.198789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.198789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.198789 (E_RNA) where: Base-Base interactions energy: -1514.487 where: short stacking energy: -629.021 Base-Backbone interact. energy: -0.267 local terms energy: -711.444380 where: bonds (distance) C4'-P energy: -147.316 bonds (distance) P-C4' energy: -146.917 flat angles C4'-P-C4' energy: -148.888 flat angles P-C4'-P energy: -96.208 tors. eta vs tors. theta energy: -172.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2027.748170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.748170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.748170 (E_RNA) where: Base-Base interactions energy: -1336.419 where: short stacking energy: -577.366 Base-Backbone interact. energy: -1.701 local terms energy: -689.628328 where: bonds (distance) C4'-P energy: -138.298 bonds (distance) P-C4' energy: -137.465 flat angles C4'-P-C4' energy: -165.771 flat angles P-C4'-P energy: -114.955 tors. eta vs tors. theta energy: -133.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1355.535210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.535210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.535210 (E_RNA) where: Base-Base interactions energy: -800.152 where: short stacking energy: -354.013 Base-Backbone interact. energy: -1.752 local terms energy: -553.631655 where: bonds (distance) C4'-P energy: -144.525 bonds (distance) P-C4' energy: -146.901 flat angles C4'-P-C4' energy: -143.634 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -41.010 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: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -906.209492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.209492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.209492 (E_RNA) where: Base-Base interactions energy: -407.893 where: short stacking energy: -242.977 Base-Backbone interact. energy: -2.647 local terms energy: -495.669567 where: bonds (distance) C4'-P energy: -150.051 bonds (distance) P-C4' energy: -132.791 flat angles C4'-P-C4' energy: -123.421 flat angles P-C4'-P energy: -80.516 tors. eta vs tors. theta energy: -8.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -733.671567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.671567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.671567 (E_RNA) where: Base-Base interactions energy: -287.402 where: short stacking energy: -190.910 Base-Backbone interact. energy: 8.642 local terms energy: -454.911094 where: bonds (distance) C4'-P energy: -144.293 bonds (distance) P-C4' energy: -154.773 flat angles C4'-P-C4' energy: -108.508 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: 32.134 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: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2892.230873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.230873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.230873 (E_RNA) where: Base-Base interactions energy: -1991.280 where: short stacking energy: -862.367 Base-Backbone interact. energy: -7.035 local terms energy: -893.915393 where: bonds (distance) C4'-P energy: -159.972 bonds (distance) P-C4' energy: -161.880 flat angles C4'-P-C4' energy: -180.449 flat angles P-C4'-P energy: -134.676 tors. eta vs tors. theta energy: -256.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2818.262589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.262589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.262589 (E_RNA) where: Base-Base interactions energy: -1937.415 where: short stacking energy: -830.242 Base-Backbone interact. energy: -1.275 local terms energy: -879.572454 where: bonds (distance) C4'-P energy: -168.269 bonds (distance) P-C4' energy: -163.047 flat angles C4'-P-C4' energy: -184.758 flat angles P-C4'-P energy: -129.957 tors. eta vs tors. theta energy: -233.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2714.693833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.693833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.693833 (E_RNA) where: Base-Base interactions energy: -1904.558 where: short stacking energy: -803.064 Base-Backbone interact. energy: -1.031 local terms energy: -809.105011 where: bonds (distance) C4'-P energy: -156.655 bonds (distance) P-C4' energy: -151.796 flat angles C4'-P-C4' energy: -174.210 flat angles P-C4'-P energy: -104.295 tors. eta vs tors. theta energy: -222.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2477.909229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.909229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.909229 (E_RNA) where: Base-Base interactions energy: -1734.495 where: short stacking energy: -676.732 Base-Backbone interact. energy: 0.848 local terms energy: -744.262010 where: bonds (distance) C4'-P energy: -127.828 bonds (distance) P-C4' energy: -151.789 flat angles C4'-P-C4' energy: -169.999 flat angles P-C4'-P energy: -111.589 tors. eta vs tors. theta energy: -183.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2259.404648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.404648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.404648 (E_RNA) where: Base-Base interactions energy: -1521.123 where: short stacking energy: -650.577 Base-Backbone interact. energy: 3.321 local terms energy: -741.603228 where: bonds (distance) C4'-P energy: -151.606 bonds (distance) P-C4' energy: -159.825 flat angles C4'-P-C4' energy: -161.204 flat angles P-C4'-P energy: -96.128 tors. eta vs tors. theta energy: -172.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2243.132156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.132156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.132156 (E_RNA) where: Base-Base interactions energy: -1526.420 where: short stacking energy: -627.116 Base-Backbone interact. energy: -1.891 local terms energy: -714.821295 where: bonds (distance) C4'-P energy: -136.390 bonds (distance) P-C4' energy: -130.966 flat angles C4'-P-C4' energy: -173.546 flat angles P-C4'-P energy: -94.281 tors. eta vs tors. theta energy: -179.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1991.728567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.728567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.728567 (E_RNA) where: Base-Base interactions energy: -1291.698 where: short stacking energy: -585.825 Base-Backbone interact. energy: -3.878 local terms energy: -696.152831 where: bonds (distance) C4'-P energy: -145.805 bonds (distance) P-C4' energy: -146.266 flat angles C4'-P-C4' energy: -149.567 flat angles P-C4'-P energy: -97.659 tors. eta vs tors. theta energy: -156.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1328.920811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.920811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.920811 (E_RNA) where: Base-Base interactions energy: -789.926 where: short stacking energy: -358.010 Base-Backbone interact. energy: -4.988 local terms energy: -534.006333 where: bonds (distance) C4'-P energy: -142.230 bonds (distance) P-C4' energy: -125.133 flat angles C4'-P-C4' energy: -128.462 flat angles P-C4'-P energy: -74.779 tors. eta vs tors. theta energy: -63.402 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: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -778.081644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.081644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.081644 (E_RNA) where: Base-Base interactions energy: -313.932 where: short stacking energy: -219.862 Base-Backbone interact. energy: 7.610 local terms energy: -471.759335 where: bonds (distance) C4'-P energy: -162.805 bonds (distance) P-C4' energy: -131.792 flat angles C4'-P-C4' energy: -133.962 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: 13.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -754.967656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.967656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.967656 (E_RNA) where: Base-Base interactions energy: -318.054 where: short stacking energy: -211.762 Base-Backbone interact. energy: -0.758 local terms energy: -436.156126 where: bonds (distance) C4'-P energy: -103.401 bonds (distance) P-C4' energy: -131.780 flat angles C4'-P-C4' energy: -138.396 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: 11.190 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: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2930.975039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.975039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.975039 (E_RNA) where: Base-Base interactions energy: -2045.103 where: short stacking energy: -868.563 Base-Backbone interact. energy: -1.163 local terms energy: -884.708451 where: bonds (distance) C4'-P energy: -158.563 bonds (distance) P-C4' energy: -161.130 flat angles C4'-P-C4' energy: -188.894 flat angles P-C4'-P energy: -130.211 tors. eta vs tors. theta energy: -245.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2777.021637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.021637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.021637 (E_RNA) where: Base-Base interactions energy: -1901.075 where: short stacking energy: -778.244 Base-Backbone interact. energy: 0.512 local terms energy: -876.458446 where: bonds (distance) C4'-P energy: -175.036 bonds (distance) P-C4' energy: -157.786 flat angles C4'-P-C4' energy: -170.324 flat angles P-C4'-P energy: -135.536 tors. eta vs tors. theta energy: -237.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2665.866156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.866156 (E_RNA) where: Base-Base interactions energy: -1852.636 where: short stacking energy: -742.106 Base-Backbone interact. energy: 2.038 local terms energy: -815.268516 where: bonds (distance) C4'-P energy: -146.312 bonds (distance) P-C4' energy: -171.968 flat angles C4'-P-C4' energy: -166.466 flat angles P-C4'-P energy: -108.733 tors. eta vs tors. theta energy: -221.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2537.155187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.155187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.155187 (E_RNA) where: Base-Base interactions energy: -1782.043 where: short stacking energy: -715.771 Base-Backbone interact. energy: -2.574 local terms energy: -752.538483 where: bonds (distance) C4'-P energy: -150.019 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -169.563 flat angles P-C4'-P energy: -98.812 tors. eta vs tors. theta energy: -192.950 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2255.967490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.967490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.967490 (E_RNA) where: Base-Base interactions energy: -1498.871 where: short stacking energy: -644.917 Base-Backbone interact. energy: -0.772 local terms energy: -756.324337 where: bonds (distance) C4'-P energy: -161.105 bonds (distance) P-C4' energy: -135.642 flat angles C4'-P-C4' energy: -177.383 flat angles P-C4'-P energy: -105.009 tors. eta vs tors. theta energy: -177.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2228.067330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.067330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.067330 (E_RNA) where: Base-Base interactions energy: -1512.112 where: short stacking energy: -603.305 Base-Backbone interact. energy: -2.844 local terms energy: -713.111399 where: bonds (distance) C4'-P energy: -130.056 bonds (distance) P-C4' energy: -146.631 flat angles C4'-P-C4' energy: -161.098 flat angles P-C4'-P energy: -101.370 tors. eta vs tors. theta energy: -173.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2037.086088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.086088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.086088 (E_RNA) where: Base-Base interactions energy: -1357.991 where: short stacking energy: -594.894 Base-Backbone interact. energy: -1.321 local terms energy: -677.774356 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -137.134 flat angles C4'-P-C4' energy: -158.298 flat angles P-C4'-P energy: -96.947 tors. eta vs tors. theta energy: -166.793 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: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1407.196782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.196782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.196782 (E_RNA) where: Base-Base interactions energy: -840.477 where: short stacking energy: -409.927 Base-Backbone interact. energy: -1.145 local terms energy: -565.574856 where: bonds (distance) C4'-P energy: -129.967 bonds (distance) P-C4' energy: -151.685 flat angles C4'-P-C4' energy: -143.692 flat angles P-C4'-P energy: -73.350 tors. eta vs tors. theta energy: -66.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -828.541717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.541717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.541717 (E_RNA) where: Base-Base interactions energy: -362.009 where: short stacking energy: -261.062 Base-Backbone interact. energy: 1.302 local terms energy: -467.834456 where: bonds (distance) C4'-P energy: -131.765 bonds (distance) P-C4' energy: -156.353 flat angles C4'-P-C4' energy: -95.635 flat angles P-C4'-P energy: -78.126 tors. eta vs tors. theta energy: -5.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -732.537104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.537104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.537104 (E_RNA) where: Base-Base interactions energy: -301.152 where: short stacking energy: -194.570 Base-Backbone interact. energy: 4.485 local terms energy: -435.870145 where: bonds (distance) C4'-P energy: -120.805 bonds (distance) P-C4' energy: -156.155 flat angles C4'-P-C4' energy: -111.235 flat angles P-C4'-P energy: -68.728 tors. eta vs tors. theta energy: 21.053 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: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2910.729515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.729515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.729515 (E_RNA) where: Base-Base interactions energy: -2024.317 where: short stacking energy: -831.445 Base-Backbone interact. energy: -1.720 local terms energy: -884.692521 where: bonds (distance) C4'-P energy: -163.910 bonds (distance) P-C4' energy: -163.029 flat angles C4'-P-C4' energy: -194.241 flat angles P-C4'-P energy: -121.214 tors. eta vs tors. theta energy: -242.299 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: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2783.064330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.064330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.064330 (E_RNA) where: Base-Base interactions energy: -1907.378 where: short stacking energy: -810.443 Base-Backbone interact. energy: -3.273 local terms energy: -872.413699 where: bonds (distance) C4'-P energy: -145.836 bonds (distance) P-C4' energy: -168.029 flat angles C4'-P-C4' energy: -194.643 flat angles P-C4'-P energy: -124.103 tors. eta vs tors. theta energy: -239.801 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: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2653.548524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.548524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.548524 (E_RNA) where: Base-Base interactions energy: -1843.742 where: short stacking energy: -789.017 Base-Backbone interact. energy: -4.524 local terms energy: -805.281753 where: bonds (distance) C4'-P energy: -144.786 bonds (distance) P-C4' energy: -156.192 flat angles C4'-P-C4' energy: -169.749 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -230.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2506.642792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.642792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.642792 (E_RNA) where: Base-Base interactions energy: -1740.018 where: short stacking energy: -685.196 Base-Backbone interact. energy: -0.276 local terms energy: -766.349552 where: bonds (distance) C4'-P energy: -142.431 bonds (distance) P-C4' energy: -150.137 flat angles C4'-P-C4' energy: -168.072 flat angles P-C4'-P energy: -112.820 tors. eta vs tors. theta energy: -192.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2215.367380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.367380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.367380 (E_RNA) where: Base-Base interactions energy: -1435.255 where: short stacking energy: -628.260 Base-Backbone interact. energy: -1.949 local terms energy: -778.163529 where: bonds (distance) C4'-P energy: -157.192 bonds (distance) P-C4' energy: -146.608 flat angles C4'-P-C4' energy: -182.497 flat angles P-C4'-P energy: -113.267 tors. eta vs tors. theta energy: -178.600 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: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2245.854396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.854396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.854396 (E_RNA) where: Base-Base interactions energy: -1493.359 where: short stacking energy: -640.217 Base-Backbone interact. energy: -0.975 local terms energy: -751.520191 where: bonds (distance) C4'-P energy: -143.563 bonds (distance) P-C4' energy: -139.471 flat angles C4'-P-C4' energy: -186.015 flat angles P-C4'-P energy: -121.516 tors. eta vs tors. theta energy: -160.955 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: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1953.119342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.119342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.119342 (E_RNA) where: Base-Base interactions energy: -1328.149 where: short stacking energy: -563.557 Base-Backbone interact. energy: -4.610 local terms energy: -620.359906 where: bonds (distance) C4'-P energy: -127.312 bonds (distance) P-C4' energy: -117.499 flat angles C4'-P-C4' energy: -148.676 flat angles P-C4'-P energy: -95.951 tors. eta vs tors. theta energy: -130.922 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: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1439.280627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.280627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.280627 (E_RNA) where: Base-Base interactions energy: -878.209 where: short stacking energy: -412.134 Base-Backbone interact. energy: -0.135 local terms energy: -560.936560 where: bonds (distance) C4'-P energy: -129.110 bonds (distance) P-C4' energy: -131.583 flat angles C4'-P-C4' energy: -134.304 flat angles P-C4'-P energy: -85.288 tors. eta vs tors. theta energy: -80.651 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: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -771.225781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.225781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.225781 (E_RNA) where: Base-Base interactions energy: -320.784 where: short stacking energy: -218.217 Base-Backbone interact. energy: 0.297 local terms energy: -450.738298 where: bonds (distance) C4'-P energy: -133.349 bonds (distance) P-C4' energy: -145.112 flat angles C4'-P-C4' energy: -130.877 flat angles P-C4'-P energy: -58.729 tors. eta vs tors. theta energy: 17.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -779.345071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.345071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.345071 (E_RNA) where: Base-Base interactions energy: -362.509 where: short stacking energy: -212.432 Base-Backbone interact. energy: -0.940 local terms energy: -415.896802 where: bonds (distance) C4'-P energy: -150.255 bonds (distance) P-C4' energy: -125.501 flat angles C4'-P-C4' energy: -90.464 flat angles P-C4'-P energy: -78.229 tors. eta vs tors. theta energy: 28.553 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: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2915.315689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.315689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.315689 (E_RNA) where: Base-Base interactions energy: -2024.941 where: short stacking energy: -869.855 Base-Backbone interact. energy: -1.481 local terms energy: -888.893549 where: bonds (distance) C4'-P energy: -147.426 bonds (distance) P-C4' energy: -170.741 flat angles C4'-P-C4' energy: -184.547 flat angles P-C4'-P energy: -126.629 tors. eta vs tors. theta energy: -259.551 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2812.285115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.285115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.285115 (E_RNA) where: Base-Base interactions energy: -1962.395 where: short stacking energy: -785.988 Base-Backbone interact. energy: -2.358 local terms energy: -847.532141 where: bonds (distance) C4'-P energy: -161.838 bonds (distance) P-C4' energy: -148.213 flat angles C4'-P-C4' energy: -180.225 flat angles P-C4'-P energy: -118.269 tors. eta vs tors. theta energy: -238.987 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: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2665.745657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.745657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.745657 (E_RNA) where: Base-Base interactions energy: -1806.151 where: short stacking energy: -762.973 Base-Backbone interact. energy: -2.219 local terms energy: -857.375710 where: bonds (distance) C4'-P energy: -161.153 bonds (distance) P-C4' energy: -168.447 flat angles C4'-P-C4' energy: -188.045 flat angles P-C4'-P energy: -117.027 tors. eta vs tors. theta energy: -222.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2520.335273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.335273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.335273 (E_RNA) where: Base-Base interactions energy: -1740.080 where: short stacking energy: -702.891 Base-Backbone interact. energy: -5.104 local terms energy: -775.151018 where: bonds (distance) C4'-P energy: -154.204 bonds (distance) P-C4' energy: -148.588 flat angles C4'-P-C4' energy: -178.962 flat angles P-C4'-P energy: -93.627 tors. eta vs tors. theta energy: -199.771 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: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2241.345525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.345525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.345525 (E_RNA) where: Base-Base interactions energy: -1518.674 where: short stacking energy: -651.669 Base-Backbone interact. energy: -3.572 local terms energy: -719.099105 where: bonds (distance) C4'-P energy: -151.286 bonds (distance) P-C4' energy: -152.367 flat angles C4'-P-C4' energy: -161.610 flat angles P-C4'-P energy: -86.687 tors. eta vs tors. theta energy: -167.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2309.959030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.959030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.959030 (E_RNA) where: Base-Base interactions energy: -1594.046 where: short stacking energy: -667.522 Base-Backbone interact. energy: -0.248 local terms energy: -715.665389 where: bonds (distance) C4'-P energy: -139.579 bonds (distance) P-C4' energy: -124.455 flat angles C4'-P-C4' energy: -158.575 flat angles P-C4'-P energy: -103.824 tors. eta vs tors. theta energy: -189.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1985.107843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.107843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.107843 (E_RNA) where: Base-Base interactions energy: -1324.146 where: short stacking energy: -570.339 Base-Backbone interact. energy: -2.821 local terms energy: -658.141018 where: bonds (distance) C4'-P energy: -136.659 bonds (distance) P-C4' energy: -140.442 flat angles C4'-P-C4' energy: -135.003 flat angles P-C4'-P energy: -90.859 tors. eta vs tors. theta energy: -155.177 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: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1325.252729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.252729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.252729 (E_RNA) where: Base-Base interactions energy: -787.010 where: short stacking energy: -350.751 Base-Backbone interact. energy: -0.289 local terms energy: -537.952839 where: bonds (distance) C4'-P energy: -127.853 bonds (distance) P-C4' energy: -151.783 flat angles C4'-P-C4' energy: -131.472 flat angles P-C4'-P energy: -80.702 tors. eta vs tors. theta energy: -46.143 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: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -777.842378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.842378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.842378 (E_RNA) where: Base-Base interactions energy: -342.822 where: short stacking energy: -213.006 Base-Backbone interact. energy: 9.170 local terms energy: -444.190175 where: bonds (distance) C4'-P energy: -133.652 bonds (distance) P-C4' energy: -127.686 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -78.779 tors. eta vs tors. theta energy: 19.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -749.564421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.564421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.564421 (E_RNA) where: Base-Base interactions energy: -321.587 where: short stacking energy: -214.452 Base-Backbone interact. energy: 0.756 local terms energy: -428.732536 where: bonds (distance) C4'-P energy: -128.922 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -116.450 flat angles P-C4'-P energy: -57.294 tors. eta vs tors. theta energy: 13.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2912.501539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.501539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.501539 (E_RNA) where: Base-Base interactions energy: -2030.553 where: short stacking energy: -854.341 Base-Backbone interact. energy: 0.251 local terms energy: -882.199482 where: bonds (distance) C4'-P energy: -158.779 bonds (distance) P-C4' energy: -153.506 flat angles C4'-P-C4' energy: -189.377 flat angles P-C4'-P energy: -125.948 tors. eta vs tors. theta energy: -254.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2803.217648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.217648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.217648 (E_RNA) where: Base-Base interactions energy: -1944.076 where: short stacking energy: -806.818 Base-Backbone interact. energy: -5.737 local terms energy: -853.404365 where: bonds (distance) C4'-P energy: -153.337 bonds (distance) P-C4' energy: -149.802 flat angles C4'-P-C4' energy: -187.696 flat angles P-C4'-P energy: -121.194 tors. eta vs tors. theta energy: -241.376 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: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2635.543830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.543830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.543830 (E_RNA) where: Base-Base interactions energy: -1793.193 where: short stacking energy: -758.804 Base-Backbone interact. energy: -2.828 local terms energy: -839.522754 where: bonds (distance) C4'-P energy: -149.644 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -183.040 flat angles P-C4'-P energy: -133.819 tors. eta vs tors. theta energy: -220.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2525.898572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.898572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.898572 (E_RNA) where: Base-Base interactions energy: -1744.389 where: short stacking energy: -687.819 Base-Backbone interact. energy: -0.322 local terms energy: -781.187662 where: bonds (distance) C4'-P energy: -134.483 bonds (distance) P-C4' energy: -160.998 flat angles C4'-P-C4' energy: -175.271 flat angles P-C4'-P energy: -120.679 tors. eta vs tors. theta energy: -189.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2259.767584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.767584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.767584 (E_RNA) where: Base-Base interactions energy: -1515.330 where: short stacking energy: -664.179 Base-Backbone interact. energy: -3.207 local terms energy: -741.231048 where: bonds (distance) C4'-P energy: -145.010 bonds (distance) P-C4' energy: -160.367 flat angles C4'-P-C4' energy: -159.407 flat angles P-C4'-P energy: -96.393 tors. eta vs tors. theta energy: -180.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2221.877871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.877871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.877871 (E_RNA) where: Base-Base interactions energy: -1519.029 where: short stacking energy: -644.129 Base-Backbone interact. energy: 1.030 local terms energy: -703.878799 where: bonds (distance) C4'-P energy: -146.600 bonds (distance) P-C4' energy: -131.531 flat angles C4'-P-C4' energy: -156.258 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -173.757 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: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1989.895818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.895818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.895818 (E_RNA) where: Base-Base interactions energy: -1303.919 where: short stacking energy: -579.676 Base-Backbone interact. energy: -3.853 local terms energy: -682.124665 where: bonds (distance) C4'-P energy: -124.977 bonds (distance) P-C4' energy: -135.091 flat angles C4'-P-C4' energy: -148.656 flat angles P-C4'-P energy: -98.674 tors. eta vs tors. theta energy: -174.727 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: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1372.790900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.790900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.790900 (E_RNA) where: Base-Base interactions energy: -825.457 where: short stacking energy: -383.463 Base-Backbone interact. energy: 5.278 local terms energy: -552.611864 where: bonds (distance) C4'-P energy: -125.461 bonds (distance) P-C4' energy: -137.861 flat angles C4'-P-C4' energy: -153.903 flat angles P-C4'-P energy: -74.093 tors. eta vs tors. theta energy: -61.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -826.013520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.013520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.013520 (E_RNA) where: Base-Base interactions energy: -370.963 where: short stacking energy: -265.783 Base-Backbone interact. energy: 11.797 local terms energy: -466.847539 where: bonds (distance) C4'-P energy: -108.082 bonds (distance) P-C4' energy: -125.634 flat angles C4'-P-C4' energy: -133.272 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: -12.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -757.199619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.199619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.199619 (E_RNA) where: Base-Base interactions energy: -336.990 where: short stacking energy: -199.636 Base-Backbone interact. energy: 0.903 local terms energy: -421.111954 where: bonds (distance) C4'-P energy: -127.453 bonds (distance) P-C4' energy: -133.428 flat angles C4'-P-C4' energy: -111.223 flat angles P-C4'-P energy: -67.305 tors. eta vs tors. theta energy: 18.298 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: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2897.466356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.466356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.466356 (E_RNA) where: Base-Base interactions energy: -1993.902 where: short stacking energy: -848.422 Base-Backbone interact. energy: -2.908 local terms energy: -900.656554 where: bonds (distance) C4'-P energy: -152.524 bonds (distance) P-C4' energy: -172.397 flat angles C4'-P-C4' energy: -190.611 flat angles P-C4'-P energy: -131.125 tors. eta vs tors. theta energy: -254.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2805.903792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.903792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.903792 (E_RNA) where: Base-Base interactions energy: -1929.802 where: short stacking energy: -809.716 Base-Backbone interact. energy: -4.350 local terms energy: -871.752308 where: bonds (distance) C4'-P energy: -149.504 bonds (distance) P-C4' energy: -182.081 flat angles C4'-P-C4' energy: -193.374 flat angles P-C4'-P energy: -116.465 tors. eta vs tors. theta energy: -230.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2611.391697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.391697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.391697 (E_RNA) where: Base-Base interactions energy: -1779.545 where: short stacking energy: -747.548 Base-Backbone interact. energy: -5.677 local terms energy: -826.169260 where: bonds (distance) C4'-P energy: -151.446 bonds (distance) P-C4' energy: -161.894 flat angles C4'-P-C4' energy: -169.396 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -247.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2558.492057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.492057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.492057 (E_RNA) where: Base-Base interactions energy: -1767.195 where: short stacking energy: -711.882 Base-Backbone interact. energy: 6.611 local terms energy: -797.907416 where: bonds (distance) C4'-P energy: -148.398 bonds (distance) P-C4' energy: -159.247 flat angles C4'-P-C4' energy: -174.188 flat angles P-C4'-P energy: -115.084 tors. eta vs tors. theta energy: -200.991 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: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2276.543290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.543290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.543290 (E_RNA) where: Base-Base interactions energy: -1518.995 where: short stacking energy: -661.968 Base-Backbone interact. energy: -5.081 local terms energy: -752.467431 where: bonds (distance) C4'-P energy: -132.484 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -162.394 flat angles P-C4'-P energy: -108.900 tors. eta vs tors. theta energy: -193.295 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: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2251.213962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.213962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.213962 (E_RNA) where: Base-Base interactions energy: -1526.148 where: short stacking energy: -651.668 Base-Backbone interact. energy: 2.920 local terms energy: -727.986562 where: bonds (distance) C4'-P energy: -143.256 bonds (distance) P-C4' energy: -134.920 flat angles C4'-P-C4' energy: -150.567 flat angles P-C4'-P energy: -102.292 tors. eta vs tors. theta energy: -196.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1919.145561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.145561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.145561 (E_RNA) where: Base-Base interactions energy: -1249.885 where: short stacking energy: -526.841 Base-Backbone interact. energy: -2.033 local terms energy: -667.228158 where: bonds (distance) C4'-P energy: -144.564 bonds (distance) P-C4' energy: -145.584 flat angles C4'-P-C4' energy: -151.974 flat angles P-C4'-P energy: -90.288 tors. eta vs tors. theta energy: -134.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1316.696519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.696519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.696519 (E_RNA) where: Base-Base interactions energy: -802.399 where: short stacking energy: -384.826 Base-Backbone interact. energy: -1.056 local terms energy: -513.241272 where: bonds (distance) C4'-P energy: -122.417 bonds (distance) P-C4' energy: -123.821 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -100.709 tors. eta vs tors. theta energy: -49.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -787.810782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.810782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.810782 (E_RNA) where: Base-Base interactions energy: -334.237 where: short stacking energy: -235.084 Base-Backbone interact. energy: 0.557 local terms energy: -454.130390 where: bonds (distance) C4'-P energy: -127.170 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -125.308 flat angles P-C4'-P energy: -65.764 tors. eta vs tors. theta energy: -3.874 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: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -802.761058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.761058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.761058 (E_RNA) where: Base-Base interactions energy: -367.046 where: short stacking energy: -215.498 Base-Backbone interact. energy: 2.160 local terms energy: -437.874738 where: bonds (distance) C4'-P energy: -122.626 bonds (distance) P-C4' energy: -148.673 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -50.820 tors. eta vs tors. theta energy: 8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2876.244668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.244668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.244668 (E_RNA) where: Base-Base interactions energy: -1989.943 where: short stacking energy: -826.355 Base-Backbone interact. energy: -3.107 local terms energy: -883.194261 where: bonds (distance) C4'-P energy: -173.780 bonds (distance) P-C4' energy: -144.494 flat angles C4'-P-C4' energy: -192.771 flat angles P-C4'-P energy: -130.588 tors. eta vs tors. theta energy: -241.561 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: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2855.999894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.999894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.999894 (E_RNA) where: Base-Base interactions energy: -1954.564 where: short stacking energy: -840.575 Base-Backbone interact. energy: -2.256 local terms energy: -899.180493 where: bonds (distance) C4'-P energy: -165.190 bonds (distance) P-C4' energy: -154.901 flat angles C4'-P-C4' energy: -195.151 flat angles P-C4'-P energy: -121.990 tors. eta vs tors. theta energy: -261.948 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: 334 Temperature: 1.000000 Total energy: -2591.769495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.769495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.769495 (E_RNA) where: Base-Base interactions energy: -1786.029 where: short stacking energy: -760.983 Base-Backbone interact. energy: -1.354 local terms energy: -804.386326 where: bonds (distance) C4'-P energy: -143.207 bonds (distance) P-C4' energy: -163.758 flat angles C4'-P-C4' energy: -169.652 flat angles P-C4'-P energy: -106.926 tors. eta vs tors. theta energy: -220.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2477.719964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.719964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.719964 (E_RNA) where: Base-Base interactions energy: -1729.604 where: short stacking energy: -704.880 Base-Backbone interact. energy: 3.206 local terms energy: -751.322197 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -144.904 flat angles C4'-P-C4' energy: -176.876 flat angles P-C4'-P energy: -100.312 tors. eta vs tors. theta energy: -182.299 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: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2364.765690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.765690 (E_RNA) where: Base-Base interactions energy: -1599.780 where: short stacking energy: -687.399 Base-Backbone interact. energy: -2.175 local terms energy: -762.810105 where: bonds (distance) C4'-P energy: -146.551 bonds (distance) P-C4' energy: -156.315 flat angles C4'-P-C4' energy: -163.504 flat angles P-C4'-P energy: -108.799 tors. eta vs tors. theta energy: -187.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2194.219325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.219325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.219325 (E_RNA) where: Base-Base interactions energy: -1499.590 where: short stacking energy: -668.499 Base-Backbone interact. energy: -1.858 local terms energy: -692.771427 where: bonds (distance) C4'-P energy: -129.726 bonds (distance) P-C4' energy: -143.149 flat angles C4'-P-C4' energy: -162.062 flat angles P-C4'-P energy: -90.451 tors. eta vs tors. theta energy: -167.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1911.735353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.735353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.735353 (E_RNA) where: Base-Base interactions energy: -1254.148 where: short stacking energy: -527.118 Base-Backbone interact. energy: -2.351 local terms energy: -655.236346 where: bonds (distance) C4'-P energy: -132.046 bonds (distance) P-C4' energy: -140.557 flat angles C4'-P-C4' energy: -151.533 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -129.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1299.747171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.747171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.747171 (E_RNA) where: Base-Base interactions energy: -741.545 where: short stacking energy: -365.981 Base-Backbone interact. energy: -2.466 local terms energy: -555.735899 where: bonds (distance) C4'-P energy: -131.264 bonds (distance) P-C4' energy: -135.733 flat angles C4'-P-C4' energy: -148.421 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: -65.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -810.461097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.461097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.461097 (E_RNA) where: Base-Base interactions energy: -383.519 where: short stacking energy: -229.758 Base-Backbone interact. energy: -0.016 local terms energy: -426.926463 where: bonds (distance) C4'-P energy: -116.758 bonds (distance) P-C4' energy: -130.848 flat angles C4'-P-C4' energy: -119.788 flat angles P-C4'-P energy: -60.231 tors. eta vs tors. theta energy: 0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -816.675134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.675134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.675134 (E_RNA) where: Base-Base interactions energy: -405.895 where: short stacking energy: -242.668 Base-Backbone interact. energy: -0.503 local terms energy: -410.277621 where: bonds (distance) C4'-P energy: -118.484 bonds (distance) P-C4' energy: -134.528 flat angles C4'-P-C4' energy: -107.019 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: 15.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2875.300020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.300020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.300020 (E_RNA) where: Base-Base interactions energy: -1975.408 where: short stacking energy: -820.070 Base-Backbone interact. energy: -3.044 local terms energy: -896.848582 where: bonds (distance) C4'-P energy: -164.304 bonds (distance) P-C4' energy: -156.668 flat angles C4'-P-C4' energy: -191.110 flat angles P-C4'-P energy: -126.258 tors. eta vs tors. theta energy: -258.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2821.635640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.635640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.635640 (E_RNA) where: Base-Base interactions energy: -1937.010 where: short stacking energy: -828.435 Base-Backbone interact. energy: -4.081 local terms energy: -880.544825 where: bonds (distance) C4'-P energy: -172.830 bonds (distance) P-C4' energy: -172.960 flat angles C4'-P-C4' energy: -186.358 flat angles P-C4'-P energy: -109.142 tors. eta vs tors. theta energy: -239.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2626.108247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.108247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.108247 (E_RNA) where: Base-Base interactions energy: -1798.737 where: short stacking energy: -757.749 Base-Backbone interact. energy: -2.782 local terms energy: -824.589536 where: bonds (distance) C4'-P energy: -151.656 bonds (distance) P-C4' energy: -155.686 flat angles C4'-P-C4' energy: -178.439 flat angles P-C4'-P energy: -120.023 tors. eta vs tors. theta energy: -218.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2502.658154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.658154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.658154 (E_RNA) where: Base-Base interactions energy: -1748.052 where: short stacking energy: -700.081 Base-Backbone interact. energy: 2.514 local terms energy: -757.120494 where: bonds (distance) C4'-P energy: -137.491 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -164.887 flat angles P-C4'-P energy: -109.481 tors. eta vs tors. theta energy: -195.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2459.397193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.397193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.397193 (E_RNA) where: Base-Base interactions energy: -1675.732 where: short stacking energy: -677.334 Base-Backbone interact. energy: 0.958 local terms energy: -784.623175 where: bonds (distance) C4'-P energy: -152.675 bonds (distance) P-C4' energy: -160.562 flat angles C4'-P-C4' energy: -171.856 flat angles P-C4'-P energy: -106.798 tors. eta vs tors. theta energy: -192.732 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: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2083.526546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.526546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.526546 (E_RNA) where: Base-Base interactions energy: -1382.316 where: short stacking energy: -583.183 Base-Backbone interact. energy: -1.121 local terms energy: -700.089106 where: bonds (distance) C4'-P energy: -132.300 bonds (distance) P-C4' energy: -154.687 flat angles C4'-P-C4' energy: -155.568 flat angles P-C4'-P energy: -103.449 tors. eta vs tors. theta energy: -154.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1966.682822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.682822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.682822 (E_RNA) where: Base-Base interactions energy: -1307.913 where: short stacking energy: -561.158 Base-Backbone interact. energy: 1.337 local terms energy: -660.106773 where: bonds (distance) C4'-P energy: -132.795 bonds (distance) P-C4' energy: -140.653 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -90.599 tors. eta vs tors. theta energy: -140.221 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: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1312.284140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.284140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.284140 (E_RNA) where: Base-Base interactions energy: -786.894 where: short stacking energy: -349.268 Base-Backbone interact. energy: 0.353 local terms energy: -525.742493 where: bonds (distance) C4'-P energy: -122.114 bonds (distance) P-C4' energy: -156.840 flat angles C4'-P-C4' energy: -127.125 flat angles P-C4'-P energy: -72.207 tors. eta vs tors. theta energy: -47.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -785.253426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.253426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.253426 (E_RNA) where: Base-Base interactions energy: -319.016 where: short stacking energy: -212.097 Base-Backbone interact. energy: 1.250 local terms energy: -467.487490 where: bonds (distance) C4'-P energy: -123.218 bonds (distance) P-C4' energy: -145.963 flat angles C4'-P-C4' energy: -138.259 flat angles P-C4'-P energy: -66.366 tors. eta vs tors. theta energy: 6.319 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: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -723.969383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.969383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.969383 (E_RNA) where: Base-Base interactions energy: -305.755 where: short stacking energy: -189.733 Base-Backbone interact. energy: 2.455 local terms energy: -420.669383 where: bonds (distance) C4'-P energy: -127.478 bonds (distance) P-C4' energy: -128.061 flat angles C4'-P-C4' energy: -114.995 flat angles P-C4'-P energy: -78.478 tors. eta vs tors. theta energy: 28.343 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: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2879.080910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.080910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.080910 (E_RNA) where: Base-Base interactions energy: -1999.904 where: short stacking energy: -850.772 Base-Backbone interact. energy: -1.396 local terms energy: -877.780744 where: bonds (distance) C4'-P energy: -153.377 bonds (distance) P-C4' energy: -164.405 flat angles C4'-P-C4' energy: -192.174 flat angles P-C4'-P energy: -123.168 tors. eta vs tors. theta energy: -244.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2815.243887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.243887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.243887 (E_RNA) where: Base-Base interactions energy: -1958.936 where: short stacking energy: -823.789 Base-Backbone interact. energy: -3.564 local terms energy: -852.743924 where: bonds (distance) C4'-P energy: -153.533 bonds (distance) P-C4' energy: -160.153 flat angles C4'-P-C4' energy: -190.200 flat angles P-C4'-P energy: -114.758 tors. eta vs tors. theta energy: -234.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2631.094420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.094420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.094420 (E_RNA) where: Base-Base interactions energy: -1789.306 where: short stacking energy: -756.431 Base-Backbone interact. energy: -0.633 local terms energy: -841.155183 where: bonds (distance) C4'-P energy: -159.762 bonds (distance) P-C4' energy: -151.118 flat angles C4'-P-C4' energy: -185.242 flat angles P-C4'-P energy: -118.372 tors. eta vs tors. theta energy: -226.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2500.808198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.808198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.808198 (E_RNA) where: Base-Base interactions energy: -1710.324 where: short stacking energy: -687.643 Base-Backbone interact. energy: -2.945 local terms energy: -787.539138 where: bonds (distance) C4'-P energy: -166.309 bonds (distance) P-C4' energy: -150.845 flat angles C4'-P-C4' energy: -169.083 flat angles P-C4'-P energy: -119.307 tors. eta vs tors. theta energy: -181.995 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: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2522.325525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.325525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.325525 (E_RNA) where: Base-Base interactions energy: -1735.036 where: short stacking energy: -700.126 Base-Backbone interact. energy: 1.778 local terms energy: -789.067748 where: bonds (distance) C4'-P energy: -138.453 bonds (distance) P-C4' energy: -146.677 flat angles C4'-P-C4' energy: -177.857 flat angles P-C4'-P energy: -118.368 tors. eta vs tors. theta energy: -207.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2107.134506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.134506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.134506 (E_RNA) where: Base-Base interactions energy: -1418.784 where: short stacking energy: -615.008 Base-Backbone interact. energy: -3.175 local terms energy: -685.175909 where: bonds (distance) C4'-P energy: -138.974 bonds (distance) P-C4' energy: -127.567 flat angles C4'-P-C4' energy: -166.998 flat angles P-C4'-P energy: -89.978 tors. eta vs tors. theta energy: -161.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2018.879234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.879234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.879234 (E_RNA) where: Base-Base interactions energy: -1349.339 where: short stacking energy: -592.460 Base-Backbone interact. energy: -2.411 local terms energy: -667.129921 where: bonds (distance) C4'-P energy: -126.712 bonds (distance) P-C4' energy: -137.400 flat angles C4'-P-C4' energy: -161.990 flat angles P-C4'-P energy: -86.734 tors. eta vs tors. theta energy: -154.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1337.915070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.915070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.915070 (E_RNA) where: Base-Base interactions energy: -813.938 where: short stacking energy: -395.977 Base-Backbone interact. energy: 1.089 local terms energy: -525.066316 where: bonds (distance) C4'-P energy: -134.035 bonds (distance) P-C4' energy: -142.126 flat angles C4'-P-C4' energy: -127.824 flat angles P-C4'-P energy: -80.731 tors. eta vs tors. theta energy: -40.351 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: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -791.801296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.801296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.801296 (E_RNA) where: Base-Base interactions energy: -351.752 where: short stacking energy: -245.371 Base-Backbone interact. energy: -2.767 local terms energy: -437.282329 where: bonds (distance) C4'-P energy: -116.148 bonds (distance) P-C4' energy: -134.568 flat angles C4'-P-C4' energy: -123.367 flat angles P-C4'-P energy: -64.096 tors. eta vs tors. theta energy: 0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -771.656522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.656522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.656522 (E_RNA) where: Base-Base interactions energy: -324.625 where: short stacking energy: -234.181 Base-Backbone interact. energy: 5.250 local terms energy: -452.282219 where: bonds (distance) C4'-P energy: -130.634 bonds (distance) P-C4' energy: -123.868 flat angles C4'-P-C4' energy: -103.616 flat angles P-C4'-P energy: -76.515 tors. eta vs tors. theta energy: -17.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2863.447157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.447157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.447157 (E_RNA) where: Base-Base interactions energy: -1968.041 where: short stacking energy: -777.852 Base-Backbone interact. energy: -3.484 local terms energy: -891.921647 where: bonds (distance) C4'-P energy: -181.659 bonds (distance) P-C4' energy: -168.345 flat angles C4'-P-C4' energy: -184.942 flat angles P-C4'-P energy: -118.269 tors. eta vs tors. theta energy: -238.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2779.164655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.164655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.164655 (E_RNA) where: Base-Base interactions energy: -1930.171 where: short stacking energy: -803.786 Base-Backbone interact. energy: -2.152 local terms energy: -846.841604 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -155.666 flat angles C4'-P-C4' energy: -173.205 flat angles P-C4'-P energy: -120.200 tors. eta vs tors. theta energy: -243.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2633.230945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.230945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.230945 (E_RNA) where: Base-Base interactions energy: -1807.570 where: short stacking energy: -742.266 Base-Backbone interact. energy: -0.123 local terms energy: -825.537448 where: bonds (distance) C4'-P energy: -148.318 bonds (distance) P-C4' energy: -162.335 flat angles C4'-P-C4' energy: -173.836 flat angles P-C4'-P energy: -121.558 tors. eta vs tors. theta energy: -219.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2577.376085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.376085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.376085 (E_RNA) where: Base-Base interactions energy: -1766.446 where: short stacking energy: -722.623 Base-Backbone interact. energy: -2.407 local terms energy: -808.522707 where: bonds (distance) C4'-P energy: -143.222 bonds (distance) P-C4' energy: -158.471 flat angles C4'-P-C4' energy: -172.139 flat angles P-C4'-P energy: -126.804 tors. eta vs tors. theta energy: -207.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2374.902632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.902632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.902632 (E_RNA) where: Base-Base interactions energy: -1638.293 where: short stacking energy: -649.486 Base-Backbone interact. energy: -1.864 local terms energy: -734.745534 where: bonds (distance) C4'-P energy: -160.810 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -173.939 flat angles P-C4'-P energy: -80.429 tors. eta vs tors. theta energy: -179.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2135.544786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.544786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.544786 (E_RNA) where: Base-Base interactions energy: -1424.083 where: short stacking energy: -617.512 Base-Backbone interact. energy: -5.049 local terms energy: -706.413205 where: bonds (distance) C4'-P energy: -138.366 bonds (distance) P-C4' energy: -151.532 flat angles C4'-P-C4' energy: -163.919 flat angles P-C4'-P energy: -77.458 tors. eta vs tors. theta energy: -175.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1898.967326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.967326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.967326 (E_RNA) where: Base-Base interactions energy: -1270.938 where: short stacking energy: -565.207 Base-Backbone interact. energy: -2.646 local terms energy: -625.383025 where: bonds (distance) C4'-P energy: -113.078 bonds (distance) P-C4' energy: -130.621 flat angles C4'-P-C4' energy: -135.356 flat angles P-C4'-P energy: -109.449 tors. eta vs tors. theta energy: -136.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1266.729374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.729374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.729374 (E_RNA) where: Base-Base interactions energy: -773.588 where: short stacking energy: -359.074 Base-Backbone interact. energy: -1.871 local terms energy: -491.270764 where: bonds (distance) C4'-P energy: -129.114 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -118.738 flat angles P-C4'-P energy: -74.121 tors. eta vs tors. theta energy: -40.298 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: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -816.970170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.970170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.970170 (E_RNA) where: Base-Base interactions energy: -398.697 where: short stacking energy: -259.001 Base-Backbone interact. energy: 8.413 local terms energy: -426.685555 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -129.065 flat angles C4'-P-C4' energy: -111.679 flat angles P-C4'-P energy: -69.925 tors. eta vs tors. theta energy: 6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -762.262458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.262458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.262458 (E_RNA) where: Base-Base interactions energy: -335.475 where: short stacking energy: -223.820 Base-Backbone interact. energy: -3.289 local terms energy: -423.498418 where: bonds (distance) C4'-P energy: -127.049 bonds (distance) P-C4' energy: -121.584 flat angles C4'-P-C4' energy: -129.625 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: 12.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2844.310269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.310269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.310269 (E_RNA) where: Base-Base interactions energy: -1955.106 where: short stacking energy: -819.551 Base-Backbone interact. energy: -6.171 local terms energy: -883.033577 where: bonds (distance) C4'-P energy: -157.651 bonds (distance) P-C4' energy: -171.791 flat angles C4'-P-C4' energy: -194.408 flat angles P-C4'-P energy: -118.526 tors. eta vs tors. theta energy: -240.657 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: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2786.418221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.418221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.418221 (E_RNA) where: Base-Base interactions energy: -1912.375 where: short stacking energy: -796.107 Base-Backbone interact. energy: -1.786 local terms energy: -872.257147 where: bonds (distance) C4'-P energy: -169.292 bonds (distance) P-C4' energy: -164.462 flat angles C4'-P-C4' energy: -185.849 flat angles P-C4'-P energy: -114.189 tors. eta vs tors. theta energy: -238.465 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: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2632.557456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.557456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.557456 (E_RNA) where: Base-Base interactions energy: -1787.385 where: short stacking energy: -738.578 Base-Backbone interact. energy: -1.332 local terms energy: -843.840386 where: bonds (distance) C4'-P energy: -149.553 bonds (distance) P-C4' energy: -158.394 flat angles C4'-P-C4' energy: -186.268 flat angles P-C4'-P energy: -117.869 tors. eta vs tors. theta energy: -231.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2615.460611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.460611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.460611 (E_RNA) where: Base-Base interactions energy: -1813.817 where: short stacking energy: -738.238 Base-Backbone interact. energy: 3.470 local terms energy: -805.113091 where: bonds (distance) C4'-P energy: -142.070 bonds (distance) P-C4' energy: -142.462 flat angles C4'-P-C4' energy: -175.489 flat angles P-C4'-P energy: -128.260 tors. eta vs tors. theta energy: -216.832 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: 338 Temperature: 1.100000 Total energy: -2359.023402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.023402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.023402 (E_RNA) where: Base-Base interactions energy: -1638.142 where: short stacking energy: -635.888 Base-Backbone interact. energy: 0.970 local terms energy: -721.851220 where: bonds (distance) C4'-P energy: -159.301 bonds (distance) P-C4' energy: -136.076 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -98.832 tors. eta vs tors. theta energy: -173.754 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: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2102.269641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.269641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.269641 (E_RNA) where: Base-Base interactions energy: -1401.268 where: short stacking energy: -588.361 Base-Backbone interact. energy: -2.091 local terms energy: -698.910066 where: bonds (distance) C4'-P energy: -136.159 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -161.756 flat angles P-C4'-P energy: -102.531 tors. eta vs tors. theta energy: -151.091 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: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1969.096037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.096037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.096037 (E_RNA) where: Base-Base interactions energy: -1293.804 where: short stacking energy: -575.437 Base-Backbone interact. energy: -2.284 local terms energy: -673.007446 where: bonds (distance) C4'-P energy: -122.376 bonds (distance) P-C4' energy: -134.667 flat angles C4'-P-C4' energy: -165.891 flat angles P-C4'-P energy: -99.209 tors. eta vs tors. theta energy: -150.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1282.183386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.183386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.183386 (E_RNA) where: Base-Base interactions energy: -749.102 where: short stacking energy: -371.906 Base-Backbone interact. energy: 5.718 local terms energy: -538.799135 where: bonds (distance) C4'-P energy: -159.284 bonds (distance) P-C4' energy: -126.957 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -84.004 tors. eta vs tors. theta energy: -46.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -826.934412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.934412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.934412 (E_RNA) where: Base-Base interactions energy: -348.781 where: short stacking energy: -223.536 Base-Backbone interact. energy: 1.696 local terms energy: -479.849870 where: bonds (distance) C4'-P energy: -148.587 bonds (distance) P-C4' energy: -154.989 flat angles C4'-P-C4' energy: -111.098 flat angles P-C4'-P energy: -78.158 tors. eta vs tors. theta energy: 12.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -719.700617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.700617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.700617 (E_RNA) where: Base-Base interactions energy: -316.901 where: short stacking energy: -215.787 Base-Backbone interact. energy: -4.085 local terms energy: -398.714642 where: bonds (distance) C4'-P energy: -136.948 bonds (distance) P-C4' energy: -120.822 flat angles C4'-P-C4' energy: -117.190 flat angles P-C4'-P energy: -53.450 tors. eta vs tors. theta energy: 29.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2862.338985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.338985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.338985 (E_RNA) where: Base-Base interactions energy: -1952.583 where: short stacking energy: -809.439 Base-Backbone interact. energy: -3.600 local terms energy: -906.156000 where: bonds (distance) C4'-P energy: -180.126 bonds (distance) P-C4' energy: -171.652 flat angles C4'-P-C4' energy: -181.566 flat angles P-C4'-P energy: -134.930 tors. eta vs tors. theta energy: -237.882 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: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2801.280103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.280103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.280103 (E_RNA) where: Base-Base interactions energy: -1933.905 where: short stacking energy: -821.768 Base-Backbone interact. energy: -1.050 local terms energy: -866.325344 where: bonds (distance) C4'-P energy: -159.941 bonds (distance) P-C4' energy: -174.333 flat angles C4'-P-C4' energy: -179.144 flat angles P-C4'-P energy: -118.460 tors. eta vs tors. theta energy: -234.448 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: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2619.843457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.843457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.843457 (E_RNA) where: Base-Base interactions energy: -1800.710 where: short stacking energy: -757.035 Base-Backbone interact. energy: 4.898 local terms energy: -824.030719 where: bonds (distance) C4'-P energy: -151.450 bonds (distance) P-C4' energy: -147.932 flat angles C4'-P-C4' energy: -185.135 flat angles P-C4'-P energy: -118.167 tors. eta vs tors. theta energy: -221.346 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: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2610.137283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.137283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.137283 (E_RNA) where: Base-Base interactions energy: -1799.588 where: short stacking energy: -754.296 Base-Backbone interact. energy: -1.085 local terms energy: -809.464553 where: bonds (distance) C4'-P energy: -142.375 bonds (distance) P-C4' energy: -154.745 flat angles C4'-P-C4' energy: -168.366 flat angles P-C4'-P energy: -128.633 tors. eta vs tors. theta energy: -215.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2366.722106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.722106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.722106 (E_RNA) where: Base-Base interactions energy: -1645.569 where: short stacking energy: -672.768 Base-Backbone interact. energy: -0.307 local terms energy: -720.845614 where: bonds (distance) C4'-P energy: -152.389 bonds (distance) P-C4' energy: -149.638 flat angles C4'-P-C4' energy: -142.717 flat angles P-C4'-P energy: -108.433 tors. eta vs tors. theta energy: -167.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2110.013331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.013331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.013331 (E_RNA) where: Base-Base interactions energy: -1379.354 where: short stacking energy: -583.268 Base-Backbone interact. energy: -2.436 local terms energy: -728.223278 where: bonds (distance) C4'-P energy: -142.767 bonds (distance) P-C4' energy: -146.575 flat angles C4'-P-C4' energy: -174.638 flat angles P-C4'-P energy: -104.135 tors. eta vs tors. theta energy: -160.109 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: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1948.573562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.573562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.573562 (E_RNA) where: Base-Base interactions energy: -1302.662 where: short stacking energy: -569.084 Base-Backbone interact. energy: 4.713 local terms energy: -650.624793 where: bonds (distance) C4'-P energy: -144.793 bonds (distance) P-C4' energy: -142.226 flat angles C4'-P-C4' energy: -143.787 flat angles P-C4'-P energy: -84.298 tors. eta vs tors. theta energy: -135.521 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: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1280.579732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.579732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.579732 (E_RNA) where: Base-Base interactions energy: -746.069 where: short stacking energy: -349.176 Base-Backbone interact. energy: -2.351 local terms energy: -532.159357 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -133.431 flat angles P-C4'-P energy: -95.611 tors. eta vs tors. theta energy: -23.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -826.633552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.633552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.633552 (E_RNA) where: Base-Base interactions energy: -366.075 where: short stacking energy: -250.017 Base-Backbone interact. energy: -2.854 local terms energy: -457.704500 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -145.693 flat angles C4'-P-C4' energy: -126.984 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: 13.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -722.379792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.379792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.379792 (E_RNA) where: Base-Base interactions energy: -295.964 where: short stacking energy: -189.478 Base-Backbone interact. energy: 1.486 local terms energy: -427.901511 where: bonds (distance) C4'-P energy: -128.917 bonds (distance) P-C4' energy: -129.147 flat angles C4'-P-C4' energy: -123.682 flat angles P-C4'-P energy: -60.233 tors. eta vs tors. theta energy: 14.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2842.699672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.699672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.699672 (E_RNA) where: Base-Base interactions energy: -1985.666 where: short stacking energy: -830.278 Base-Backbone interact. energy: -1.312 local terms energy: -855.721822 where: bonds (distance) C4'-P energy: -148.195 bonds (distance) P-C4' energy: -158.746 flat angles C4'-P-C4' energy: -192.860 flat angles P-C4'-P energy: -107.247 tors. eta vs tors. theta energy: -248.674 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: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2791.639805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.639805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.639805 (E_RNA) where: Base-Base interactions energy: -1910.889 where: short stacking energy: -795.697 Base-Backbone interact. energy: 3.738 local terms energy: -884.488488 where: bonds (distance) C4'-P energy: -169.316 bonds (distance) P-C4' energy: -161.836 flat angles C4'-P-C4' energy: -185.677 flat angles P-C4'-P energy: -128.682 tors. eta vs tors. theta energy: -238.978 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: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2669.595497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.595497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.595497 (E_RNA) where: Base-Base interactions energy: -1821.852 where: short stacking energy: -746.693 Base-Backbone interact. energy: 0.130 local terms energy: -847.873292 where: bonds (distance) C4'-P energy: -164.264 bonds (distance) P-C4' energy: -167.999 flat angles C4'-P-C4' energy: -189.870 flat angles P-C4'-P energy: -109.349 tors. eta vs tors. theta energy: -216.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2606.030442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.030442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.030442 (E_RNA) where: Base-Base interactions energy: -1791.963 where: short stacking energy: -739.032 Base-Backbone interact. energy: 0.940 local terms energy: -815.007333 where: bonds (distance) C4'-P energy: -139.451 bonds (distance) P-C4' energy: -144.138 flat angles C4'-P-C4' energy: -182.547 flat angles P-C4'-P energy: -121.394 tors. eta vs tors. theta energy: -227.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2399.380548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.380548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.380548 (E_RNA) where: Base-Base interactions energy: -1672.682 where: short stacking energy: -666.464 Base-Backbone interact. energy: -0.286 local terms energy: -726.412767 where: bonds (distance) C4'-P energy: -147.706 bonds (distance) P-C4' energy: -147.841 flat angles C4'-P-C4' energy: -157.109 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -168.601 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: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2023.809106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.809106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.809106 (E_RNA) where: Base-Base interactions energy: -1299.725 where: short stacking energy: -597.794 Base-Backbone interact. energy: -6.510 local terms energy: -717.574398 where: bonds (distance) C4'-P energy: -143.909 bonds (distance) P-C4' energy: -139.109 flat angles C4'-P-C4' energy: -169.888 flat angles P-C4'-P energy: -103.905 tors. eta vs tors. theta energy: -160.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1908.353804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.353804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.353804 (E_RNA) where: Base-Base interactions energy: -1303.118 where: short stacking energy: -570.110 Base-Backbone interact. energy: -2.805 local terms energy: -602.430557 where: bonds (distance) C4'-P energy: -121.868 bonds (distance) P-C4' energy: -153.587 flat angles C4'-P-C4' energy: -136.373 flat angles P-C4'-P energy: -77.830 tors. eta vs tors. theta energy: -112.773 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: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1241.865786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.865786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.865786 (E_RNA) where: Base-Base interactions energy: -745.297 where: short stacking energy: -369.707 Base-Backbone interact. energy: -1.939 local terms energy: -494.629799 where: bonds (distance) C4'-P energy: -128.144 bonds (distance) P-C4' energy: -151.607 flat angles C4'-P-C4' energy: -118.708 flat angles P-C4'-P energy: -67.913 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -861.268450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.268450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.268450 (E_RNA) where: Base-Base interactions energy: -417.072 where: short stacking energy: -257.548 Base-Backbone interact. energy: 0.985 local terms energy: -445.181562 where: bonds (distance) C4'-P energy: -134.330 bonds (distance) P-C4' energy: -138.362 flat angles C4'-P-C4' energy: -113.899 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: 3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -700.666194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.666194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.666194 (E_RNA) where: Base-Base interactions energy: -283.178 where: short stacking energy: -191.528 Base-Backbone interact. energy: 3.671 local terms energy: -421.158448 where: bonds (distance) C4'-P energy: -110.436 bonds (distance) P-C4' energy: -128.077 flat angles C4'-P-C4' energy: -128.118 flat angles P-C4'-P energy: -79.361 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: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2863.344114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.344114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.344114 (E_RNA) where: Base-Base interactions energy: -1976.075 where: short stacking energy: -827.692 Base-Backbone interact. energy: -6.422 local terms energy: -880.846924 where: bonds (distance) C4'-P energy: -164.305 bonds (distance) P-C4' energy: -148.481 flat angles C4'-P-C4' energy: -190.144 flat angles P-C4'-P energy: -124.315 tors. eta vs tors. theta energy: -253.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2803.039538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.039538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.039538 (E_RNA) where: Base-Base interactions energy: -1937.714 where: short stacking energy: -824.624 Base-Backbone interact. energy: -0.555 local terms energy: -864.770887 where: bonds (distance) C4'-P energy: -166.182 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -172.507 flat angles P-C4'-P energy: -125.521 tors. eta vs tors. theta energy: -248.327 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: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2619.103155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.103155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.103155 (E_RNA) where: Base-Base interactions energy: -1808.383 where: short stacking energy: -749.023 Base-Backbone interact. energy: -1.815 local terms energy: -808.904958 where: bonds (distance) C4'-P energy: -157.857 bonds (distance) P-C4' energy: -157.607 flat angles C4'-P-C4' energy: -153.464 flat angles P-C4'-P energy: -112.397 tors. eta vs tors. theta energy: -227.580 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: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2597.342952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.342952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.342952 (E_RNA) where: Base-Base interactions energy: -1798.179 where: short stacking energy: -747.617 Base-Backbone interact. energy: 1.853 local terms energy: -801.017071 where: bonds (distance) C4'-P energy: -117.803 bonds (distance) P-C4' energy: -163.951 flat angles C4'-P-C4' energy: -169.071 flat angles P-C4'-P energy: -125.587 tors. eta vs tors. theta energy: -224.605 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: 341 Temperature: 1.100000 Total energy: -2392.239659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.239659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.239659 (E_RNA) where: Base-Base interactions energy: -1625.231 where: short stacking energy: -672.032 Base-Backbone interact. energy: -1.287 local terms energy: -765.722527 where: bonds (distance) C4'-P energy: -152.388 bonds (distance) P-C4' energy: -157.639 flat angles C4'-P-C4' energy: -166.921 flat angles P-C4'-P energy: -111.108 tors. eta vs tors. theta energy: -177.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2050.572675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.572675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.572675 (E_RNA) where: Base-Base interactions energy: -1343.718 where: short stacking energy: -590.456 Base-Backbone interact. energy: -1.271 local terms energy: -705.584298 where: bonds (distance) C4'-P energy: -147.284 bonds (distance) P-C4' energy: -143.909 flat angles C4'-P-C4' energy: -156.451 flat angles P-C4'-P energy: -94.619 tors. eta vs tors. theta energy: -163.321 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: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1915.611295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.611295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.611295 (E_RNA) where: Base-Base interactions energy: -1250.703 where: short stacking energy: -574.747 Base-Backbone interact. energy: -0.841 local terms energy: -664.067050 where: bonds (distance) C4'-P energy: -151.172 bonds (distance) P-C4' energy: -148.489 flat angles C4'-P-C4' energy: -154.099 flat angles P-C4'-P energy: -78.274 tors. eta vs tors. theta energy: -132.033 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: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1175.073477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.073477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.073477 (E_RNA) where: Base-Base interactions energy: -660.979 where: short stacking energy: -296.084 Base-Backbone interact. energy: 14.666 local terms energy: -528.759798 where: bonds (distance) C4'-P energy: -149.542 bonds (distance) P-C4' energy: -136.872 flat angles C4'-P-C4' energy: -142.203 flat angles P-C4'-P energy: -83.820 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -833.016605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.016605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.016605 (E_RNA) where: Base-Base interactions energy: -356.948 where: short stacking energy: -232.541 Base-Backbone interact. energy: -4.250 local terms energy: -471.819108 where: bonds (distance) C4'-P energy: -156.461 bonds (distance) P-C4' energy: -137.245 flat angles C4'-P-C4' energy: -122.140 flat angles P-C4'-P energy: -57.154 tors. eta vs tors. theta energy: 1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -762.779377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.779377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.779377 (E_RNA) where: Base-Base interactions energy: -359.665 where: short stacking energy: -205.769 Base-Backbone interact. energy: -0.489 local terms energy: -402.625645 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -128.385 flat angles C4'-P-C4' energy: -116.261 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: 29.372 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: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2864.290334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.290334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.290334 (E_RNA) where: Base-Base interactions energy: -2002.322 where: short stacking energy: -829.781 Base-Backbone interact. energy: 0.547 local terms energy: -862.515891 where: bonds (distance) C4'-P energy: -173.703 bonds (distance) P-C4' energy: -152.644 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -125.903 tors. eta vs tors. theta energy: -238.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2790.086476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.086476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.086476 (E_RNA) where: Base-Base interactions energy: -1906.961 where: short stacking energy: -800.877 Base-Backbone interact. energy: -4.651 local terms energy: -878.474900 where: bonds (distance) C4'-P energy: -162.708 bonds (distance) P-C4' energy: -160.061 flat angles C4'-P-C4' energy: -182.711 flat angles P-C4'-P energy: -126.426 tors. eta vs tors. theta energy: -246.569 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: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2640.266866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.266866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.266866 (E_RNA) where: Base-Base interactions energy: -1780.574 where: short stacking energy: -759.404 Base-Backbone interact. energy: -4.801 local terms energy: -854.891798 where: bonds (distance) C4'-P energy: -153.610 bonds (distance) P-C4' energy: -175.292 flat angles C4'-P-C4' energy: -171.045 flat angles P-C4'-P energy: -120.477 tors. eta vs tors. theta energy: -234.467 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: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2610.765562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.765562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.765562 (E_RNA) where: Base-Base interactions energy: -1806.860 where: short stacking energy: -758.935 Base-Backbone interact. energy: -1.473 local terms energy: -802.431890 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -169.498 flat angles C4'-P-C4' energy: -170.485 flat angles P-C4'-P energy: -118.299 tors. eta vs tors. theta energy: -217.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2379.282827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.282827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.282827 (E_RNA) where: Base-Base interactions energy: -1661.906 where: short stacking energy: -672.659 Base-Backbone interact. energy: -0.280 local terms energy: -717.096618 where: bonds (distance) C4'-P energy: -131.468 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -157.928 flat angles P-C4'-P energy: -102.740 tors. eta vs tors. theta energy: -175.672 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: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2080.710176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.710176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.710176 (E_RNA) where: Base-Base interactions energy: -1358.542 where: short stacking energy: -611.438 Base-Backbone interact. energy: -0.722 local terms energy: -721.446243 where: bonds (distance) C4'-P energy: -144.098 bonds (distance) P-C4' energy: -152.916 flat angles C4'-P-C4' energy: -154.626 flat angles P-C4'-P energy: -103.629 tors. eta vs tors. theta energy: -166.178 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: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1938.729524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.729524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.729524 (E_RNA) where: Base-Base interactions energy: -1264.223 where: short stacking energy: -546.848 Base-Backbone interact. energy: 1.841 local terms energy: -676.347464 where: bonds (distance) C4'-P energy: -169.084 bonds (distance) P-C4' energy: -132.827 flat angles C4'-P-C4' energy: -151.837 flat angles P-C4'-P energy: -93.913 tors. eta vs tors. theta energy: -128.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1176.276933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.276933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.276933 (E_RNA) where: Base-Base interactions energy: -658.591 where: short stacking energy: -310.584 Base-Backbone interact. energy: -1.206 local terms energy: -516.480411 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -145.838 flat angles C4'-P-C4' energy: -135.645 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: -37.039 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: 342 Temperature: 1.300000 Total energy: -799.545817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.545817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.545817 (E_RNA) where: Base-Base interactions energy: -324.106 where: short stacking energy: -218.563 Base-Backbone interact. energy: -0.028 local terms energy: -475.411586 where: bonds (distance) C4'-P energy: -128.356 bonds (distance) P-C4' energy: -133.451 flat angles C4'-P-C4' energy: -140.024 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: 7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -728.267150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.267150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.267150 (E_RNA) where: Base-Base interactions energy: -315.943 where: short stacking energy: -204.226 Base-Backbone interact. energy: 1.469 local terms energy: -413.793553 where: bonds (distance) C4'-P energy: -137.405 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -95.737 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: 13.208 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: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2864.051602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.051602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.051602 (E_RNA) where: Base-Base interactions energy: -1994.380 where: short stacking energy: -843.395 Base-Backbone interact. energy: -5.930 local terms energy: -863.741711 where: bonds (distance) C4'-P energy: -151.937 bonds (distance) P-C4' energy: -151.773 flat angles C4'-P-C4' energy: -192.249 flat angles P-C4'-P energy: -129.074 tors. eta vs tors. theta energy: -238.708 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: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2823.790539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.790539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.790539 (E_RNA) where: Base-Base interactions energy: -1958.917 where: short stacking energy: -812.164 Base-Backbone interact. energy: -1.791 local terms energy: -863.081869 where: bonds (distance) C4'-P energy: -163.354 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -176.644 flat angles P-C4'-P energy: -126.098 tors. eta vs tors. theta energy: -237.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2637.006486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.006486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.006486 (E_RNA) where: Base-Base interactions energy: -1797.246 where: short stacking energy: -749.768 Base-Backbone interact. energy: 4.162 local terms energy: -843.923115 where: bonds (distance) C4'-P energy: -162.658 bonds (distance) P-C4' energy: -162.855 flat angles C4'-P-C4' energy: -179.562 flat angles P-C4'-P energy: -116.501 tors. eta vs tors. theta energy: -222.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2660.061190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.061190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.061190 (E_RNA) where: Base-Base interactions energy: -1848.638 where: short stacking energy: -785.879 Base-Backbone interact. energy: -4.749 local terms energy: -806.674959 where: bonds (distance) C4'-P energy: -153.776 bonds (distance) P-C4' energy: -144.094 flat angles C4'-P-C4' energy: -173.463 flat angles P-C4'-P energy: -115.000 tors. eta vs tors. theta energy: -220.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2349.706922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.706922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.706922 (E_RNA) where: Base-Base interactions energy: -1614.699 where: short stacking energy: -648.268 Base-Backbone interact. energy: 1.279 local terms energy: -736.287638 where: bonds (distance) C4'-P energy: -140.357 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -171.151 flat angles P-C4'-P energy: -113.831 tors. eta vs tors. theta energy: -176.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2106.628466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.628466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.628466 (E_RNA) where: Base-Base interactions energy: -1386.970 where: short stacking energy: -612.379 Base-Backbone interact. energy: -4.681 local terms energy: -714.977723 where: bonds (distance) C4'-P energy: -122.421 bonds (distance) P-C4' energy: -163.716 flat angles C4'-P-C4' energy: -173.467 flat angles P-C4'-P energy: -96.349 tors. eta vs tors. theta energy: -159.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1881.143736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.143736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.143736 (E_RNA) where: Base-Base interactions energy: -1270.395 where: short stacking energy: -553.504 Base-Backbone interact. energy: -2.000 local terms energy: -608.748127 where: bonds (distance) C4'-P energy: -117.777 bonds (distance) P-C4' energy: -127.755 flat angles C4'-P-C4' energy: -152.733 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -116.980 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: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1156.953096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.953096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.953096 (E_RNA) where: Base-Base interactions energy: -641.312 where: short stacking energy: -330.338 Base-Backbone interact. energy: 2.345 local terms energy: -517.986111 where: bonds (distance) C4'-P energy: -132.667 bonds (distance) P-C4' energy: -155.838 flat angles C4'-P-C4' energy: -127.512 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: -34.191 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: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -799.481696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.481696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.481696 (E_RNA) where: Base-Base interactions energy: -350.284 where: short stacking energy: -225.140 Base-Backbone interact. energy: 1.458 local terms energy: -450.655815 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -152.464 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -76.141 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: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -789.267842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.267842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.267842 (E_RNA) where: Base-Base interactions energy: -352.186 where: short stacking energy: -245.719 Base-Backbone interact. energy: -0.402 local terms energy: -436.679692 where: bonds (distance) C4'-P energy: -102.628 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -120.580 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -7.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2878.722636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.722636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.722636 (E_RNA) where: Base-Base interactions energy: -1964.143 where: short stacking energy: -853.065 Base-Backbone interact. energy: -3.185 local terms energy: -911.394195 where: bonds (distance) C4'-P energy: -169.315 bonds (distance) P-C4' energy: -180.152 flat angles C4'-P-C4' energy: -192.478 flat angles P-C4'-P energy: -118.543 tors. eta vs tors. theta energy: -250.906 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: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2761.082719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.082719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.082719 (E_RNA) where: Base-Base interactions energy: -1908.946 where: short stacking energy: -791.542 Base-Backbone interact. energy: 1.054 local terms energy: -853.190224 where: bonds (distance) C4'-P energy: -156.096 bonds (distance) P-C4' energy: -162.600 flat angles C4'-P-C4' energy: -181.253 flat angles P-C4'-P energy: -119.120 tors. eta vs tors. theta energy: -234.121 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: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2685.299513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.299513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.299513 (E_RNA) where: Base-Base interactions energy: -1855.957 where: short stacking energy: -796.147 Base-Backbone interact. energy: -0.103 local terms energy: -829.239453 where: bonds (distance) C4'-P energy: -161.314 bonds (distance) P-C4' energy: -148.313 flat angles C4'-P-C4' energy: -172.059 flat angles P-C4'-P energy: -112.774 tors. eta vs tors. theta energy: -234.780 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: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2581.234877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.234877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.234877 (E_RNA) where: Base-Base interactions energy: -1790.477 where: short stacking energy: -761.452 Base-Backbone interact. energy: -1.601 local terms energy: -789.157276 where: bonds (distance) C4'-P energy: -141.029 bonds (distance) P-C4' energy: -151.909 flat angles C4'-P-C4' energy: -175.122 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -211.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2390.448513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.448513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.448513 (E_RNA) where: Base-Base interactions energy: -1629.512 where: short stacking energy: -663.500 Base-Backbone interact. energy: -1.693 local terms energy: -759.243483 where: bonds (distance) C4'-P energy: -137.589 bonds (distance) P-C4' energy: -164.708 flat angles C4'-P-C4' energy: -164.065 flat angles P-C4'-P energy: -109.127 tors. eta vs tors. theta energy: -183.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2107.199629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.199629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.199629 (E_RNA) where: Base-Base interactions energy: -1414.406 where: short stacking energy: -612.205 Base-Backbone interact. energy: 0.320 local terms energy: -693.113917 where: bonds (distance) C4'-P energy: -132.861 bonds (distance) P-C4' energy: -148.047 flat angles C4'-P-C4' energy: -151.687 flat angles P-C4'-P energy: -100.890 tors. eta vs tors. theta energy: -159.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1859.150395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.150395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.150395 (E_RNA) where: Base-Base interactions energy: -1229.965 where: short stacking energy: -534.959 Base-Backbone interact. energy: -0.729 local terms energy: -628.456303 where: bonds (distance) C4'-P energy: -119.854 bonds (distance) P-C4' energy: -144.115 flat angles C4'-P-C4' energy: -146.149 flat angles P-C4'-P energy: -100.316 tors. eta vs tors. theta energy: -118.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1196.838215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.838215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.838215 (E_RNA) where: Base-Base interactions energy: -687.779 where: short stacking energy: -326.161 Base-Backbone interact. energy: -1.820 local terms energy: -507.238892 where: bonds (distance) C4'-P energy: -124.455 bonds (distance) P-C4' energy: -132.486 flat angles C4'-P-C4' energy: -117.314 flat angles P-C4'-P energy: -105.187 tors. eta vs tors. theta energy: -27.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -755.480779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.480779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.480779 (E_RNA) where: Base-Base interactions energy: -312.779 where: short stacking energy: -216.983 Base-Backbone interact. energy: 4.439 local terms energy: -447.140578 where: bonds (distance) C4'-P energy: -128.162 bonds (distance) P-C4' energy: -142.716 flat angles C4'-P-C4' energy: -103.469 flat angles P-C4'-P energy: -76.881 tors. eta vs tors. theta energy: 4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -742.940364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.940364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.940364 (E_RNA) where: Base-Base interactions energy: -281.485 where: short stacking energy: -196.228 Base-Backbone interact. energy: -2.962 local terms energy: -458.493042 where: bonds (distance) C4'-P energy: -139.490 bonds (distance) P-C4' energy: -118.842 flat angles C4'-P-C4' energy: -125.965 flat angles P-C4'-P energy: -85.831 tors. eta vs tors. theta energy: 11.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2868.609916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.609916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.609916 (E_RNA) where: Base-Base interactions energy: -1970.398 where: short stacking energy: -820.598 Base-Backbone interact. energy: -1.010 local terms energy: -897.202367 where: bonds (distance) C4'-P energy: -165.194 bonds (distance) P-C4' energy: -170.862 flat angles C4'-P-C4' energy: -191.116 flat angles P-C4'-P energy: -122.405 tors. eta vs tors. theta energy: -247.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2778.281122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.281122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.281122 (E_RNA) where: Base-Base interactions energy: -1929.291 where: short stacking energy: -785.803 Base-Backbone interact. energy: -6.565 local terms energy: -842.425169 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -153.120 flat angles C4'-P-C4' energy: -179.037 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -231.726 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: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2697.636017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.636017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.636017 (E_RNA) where: Base-Base interactions energy: -1841.217 where: short stacking energy: -812.486 Base-Backbone interact. energy: -3.213 local terms energy: -853.205919 where: bonds (distance) C4'-P energy: -138.672 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -187.626 flat angles P-C4'-P energy: -133.633 tors. eta vs tors. theta energy: -239.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2586.613646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.613646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.613646 (E_RNA) where: Base-Base interactions energy: -1785.338 where: short stacking energy: -765.040 Base-Backbone interact. energy: 3.164 local terms energy: -804.440339 where: bonds (distance) C4'-P energy: -143.256 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -174.032 flat angles P-C4'-P energy: -112.513 tors. eta vs tors. theta energy: -225.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2392.205032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.205032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.205032 (E_RNA) where: Base-Base interactions energy: -1670.095 where: short stacking energy: -664.922 Base-Backbone interact. energy: 1.595 local terms energy: -723.704505 where: bonds (distance) C4'-P energy: -141.865 bonds (distance) P-C4' energy: -139.976 flat angles C4'-P-C4' energy: -180.778 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -187.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2017.052561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.052561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.052561 (E_RNA) where: Base-Base interactions energy: -1347.267 where: short stacking energy: -568.853 Base-Backbone interact. energy: -3.160 local terms energy: -666.625507 where: bonds (distance) C4'-P energy: -144.465 bonds (distance) P-C4' energy: -146.802 flat angles C4'-P-C4' energy: -136.354 flat angles P-C4'-P energy: -99.165 tors. eta vs tors. theta energy: -139.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1847.164658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.164658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.164658 (E_RNA) where: Base-Base interactions energy: -1242.617 where: short stacking energy: -527.074 Base-Backbone interact. energy: 4.250 local terms energy: -608.797108 where: bonds (distance) C4'-P energy: -131.005 bonds (distance) P-C4' energy: -129.104 flat angles C4'-P-C4' energy: -148.827 flat angles P-C4'-P energy: -84.600 tors. eta vs tors. theta energy: -115.262 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: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1204.888811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.888811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.888811 (E_RNA) where: Base-Base interactions energy: -681.679 where: short stacking energy: -327.577 Base-Backbone interact. energy: 1.697 local terms energy: -524.906839 where: bonds (distance) C4'-P energy: -146.154 bonds (distance) P-C4' energy: -134.609 flat angles C4'-P-C4' energy: -132.793 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -30.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -786.946968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.946968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.946968 (E_RNA) where: Base-Base interactions energy: -351.008 where: short stacking energy: -263.834 Base-Backbone interact. energy: 0.521 local terms energy: -436.459178 where: bonds (distance) C4'-P energy: -122.581 bonds (distance) P-C4' energy: -132.158 flat angles C4'-P-C4' energy: -125.364 flat angles P-C4'-P energy: -59.847 tors. eta vs tors. theta energy: 3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -726.668709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.668709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.668709 (E_RNA) where: Base-Base interactions energy: -314.137 where: short stacking energy: -199.377 Base-Backbone interact. energy: 3.001 local terms energy: -415.533028 where: bonds (distance) C4'-P energy: -113.730 bonds (distance) P-C4' energy: -157.219 flat angles C4'-P-C4' energy: -104.676 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: 41.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2935.708937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.708937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.708937 (E_RNA) where: Base-Base interactions energy: -2033.791 where: short stacking energy: -850.246 Base-Backbone interact. energy: -3.296 local terms energy: -898.622256 where: bonds (distance) C4'-P energy: -165.883 bonds (distance) P-C4' energy: -153.141 flat angles C4'-P-C4' energy: -194.741 flat angles P-C4'-P energy: -133.201 tors. eta vs tors. theta energy: -251.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2799.233616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.233616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.233616 (E_RNA) where: Base-Base interactions energy: -1926.690 where: short stacking energy: -820.617 Base-Backbone interact. energy: -3.501 local terms energy: -869.043091 where: bonds (distance) C4'-P energy: -148.406 bonds (distance) P-C4' energy: -167.762 flat angles C4'-P-C4' energy: -189.213 flat angles P-C4'-P energy: -119.756 tors. eta vs tors. theta energy: -243.906 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: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2695.619135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.619135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.619135 (E_RNA) where: Base-Base interactions energy: -1874.984 where: short stacking energy: -776.454 Base-Backbone interact. energy: -5.725 local terms energy: -814.909670 where: bonds (distance) C4'-P energy: -160.670 bonds (distance) P-C4' energy: -147.414 flat angles C4'-P-C4' energy: -178.898 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -225.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2645.116602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.116602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.116602 (E_RNA) where: Base-Base interactions energy: -1808.924 where: short stacking energy: -735.626 Base-Backbone interact. energy: -3.464 local terms energy: -832.728328 where: bonds (distance) C4'-P energy: -159.326 bonds (distance) P-C4' energy: -147.838 flat angles C4'-P-C4' energy: -178.499 flat angles P-C4'-P energy: -114.826 tors. eta vs tors. theta energy: -232.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2356.563837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.563837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.563837 (E_RNA) where: Base-Base interactions energy: -1634.997 where: short stacking energy: -657.339 Base-Backbone interact. energy: 9.326 local terms energy: -730.892052 where: bonds (distance) C4'-P energy: -139.471 bonds (distance) P-C4' energy: -149.194 flat angles C4'-P-C4' energy: -164.070 flat angles P-C4'-P energy: -102.268 tors. eta vs tors. theta energy: -175.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1989.452486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.452486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.452486 (E_RNA) where: Base-Base interactions energy: -1312.075 where: short stacking energy: -545.127 Base-Backbone interact. energy: -1.223 local terms energy: -676.154723 where: bonds (distance) C4'-P energy: -138.227 bonds (distance) P-C4' energy: -138.880 flat angles C4'-P-C4' energy: -162.139 flat angles P-C4'-P energy: -93.784 tors. eta vs tors. theta energy: -143.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1828.464803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.464803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.464803 (E_RNA) where: Base-Base interactions energy: -1176.745 where: short stacking energy: -486.170 Base-Backbone interact. energy: -1.058 local terms energy: -650.661454 where: bonds (distance) C4'-P energy: -141.666 bonds (distance) P-C4' energy: -167.822 flat angles C4'-P-C4' energy: -155.639 flat angles P-C4'-P energy: -79.827 tors. eta vs tors. theta energy: -105.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1211.761461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.761461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.761461 (E_RNA) where: Base-Base interactions energy: -693.840 where: short stacking energy: -321.912 Base-Backbone interact. energy: 1.044 local terms energy: -518.964712 where: bonds (distance) C4'-P energy: -137.140 bonds (distance) P-C4' energy: -138.372 flat angles C4'-P-C4' energy: -122.615 flat angles P-C4'-P energy: -77.722 tors. eta vs tors. theta energy: -43.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -780.495233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.495233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.495233 (E_RNA) where: Base-Base interactions energy: -314.988 where: short stacking energy: -230.825 Base-Backbone interact. energy: 1.695 local terms energy: -467.202684 where: bonds (distance) C4'-P energy: -145.981 bonds (distance) P-C4' energy: -136.179 flat angles C4'-P-C4' energy: -104.499 flat angles P-C4'-P energy: -77.259 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -749.435730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.435730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.435730 (E_RNA) where: Base-Base interactions energy: -298.924 where: short stacking energy: -196.977 Base-Backbone interact. energy: 2.250 local terms energy: -452.761952 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -63.803 tors. eta vs tors. theta energy: 7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2886.941364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.941364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.941364 (E_RNA) where: Base-Base interactions energy: -2001.447 where: short stacking energy: -822.774 Base-Backbone interact. energy: -3.350 local terms energy: -882.143536 where: bonds (distance) C4'-P energy: -177.453 bonds (distance) P-C4' energy: -160.003 flat angles C4'-P-C4' energy: -185.433 flat angles P-C4'-P energy: -118.508 tors. eta vs tors. theta energy: -240.746 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2821.710400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.710400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.710400 (E_RNA) where: Base-Base interactions energy: -2001.520 where: short stacking energy: -810.763 Base-Backbone interact. energy: -5.083 local terms energy: -815.106737 where: bonds (distance) C4'-P energy: -146.990 bonds (distance) P-C4' energy: -144.946 flat angles C4'-P-C4' energy: -180.837 flat angles P-C4'-P energy: -101.057 tors. eta vs tors. theta energy: -241.277 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: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2728.345315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.345315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.345315 (E_RNA) where: Base-Base interactions energy: -1885.652 where: short stacking energy: -769.943 Base-Backbone interact. energy: 3.257 local terms energy: -845.950773 where: bonds (distance) C4'-P energy: -161.376 bonds (distance) P-C4' energy: -156.520 flat angles C4'-P-C4' energy: -186.348 flat angles P-C4'-P energy: -116.002 tors. eta vs tors. theta energy: -225.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2585.010850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.010850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.010850 (E_RNA) where: Base-Base interactions energy: -1799.851 where: short stacking energy: -716.979 Base-Backbone interact. energy: -0.555 local terms energy: -784.605225 where: bonds (distance) C4'-P energy: -153.004 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -171.458 flat angles P-C4'-P energy: -107.471 tors. eta vs tors. theta energy: -203.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2391.911692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.911692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.911692 (E_RNA) where: Base-Base interactions energy: -1657.281 where: short stacking energy: -671.101 Base-Backbone interact. energy: -0.385 local terms energy: -734.245472 where: bonds (distance) C4'-P energy: -144.949 bonds (distance) P-C4' energy: -132.190 flat angles C4'-P-C4' energy: -172.122 flat angles P-C4'-P energy: -118.328 tors. eta vs tors. theta energy: -166.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2035.289585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.289585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.289585 (E_RNA) where: Base-Base interactions energy: -1349.760 where: short stacking energy: -583.124 Base-Backbone interact. energy: -3.876 local terms energy: -681.653665 where: bonds (distance) C4'-P energy: -134.573 bonds (distance) P-C4' energy: -147.598 flat angles C4'-P-C4' energy: -158.769 flat angles P-C4'-P energy: -94.562 tors. eta vs tors. theta energy: -146.152 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1871.994441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.994441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.994441 (E_RNA) where: Base-Base interactions energy: -1231.758 where: short stacking energy: -544.657 Base-Backbone interact. energy: 1.020 local terms energy: -641.256278 where: bonds (distance) C4'-P energy: -137.142 bonds (distance) P-C4' energy: -148.023 flat angles C4'-P-C4' energy: -151.850 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: -122.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1249.609151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.609151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.609151 (E_RNA) where: Base-Base interactions energy: -740.286 where: short stacking energy: -376.379 Base-Backbone interact. energy: -0.774 local terms energy: -508.548949 where: bonds (distance) C4'-P energy: -130.159 bonds (distance) P-C4' energy: -137.106 flat angles C4'-P-C4' energy: -122.348 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -59.380 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: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -769.633961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.633961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.633961 (E_RNA) where: Base-Base interactions energy: -332.250 where: short stacking energy: -202.210 Base-Backbone interact. energy: 10.939 local terms energy: -448.323267 where: bonds (distance) C4'-P energy: -126.455 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -136.560 flat angles P-C4'-P energy: -70.922 tors. eta vs tors. theta energy: 15.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -718.856780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.856780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.856780 (E_RNA) where: Base-Base interactions energy: -302.255 where: short stacking energy: -186.888 Base-Backbone interact. energy: -2.033 local terms energy: -414.568381 where: bonds (distance) C4'-P energy: -134.845 bonds (distance) P-C4' energy: -138.321 flat angles C4'-P-C4' energy: -96.129 flat angles P-C4'-P energy: -70.809 tors. eta vs tors. theta energy: 25.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2880.618310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.618310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.618310 (E_RNA) where: Base-Base interactions energy: -1990.480 where: short stacking energy: -831.417 Base-Backbone interact. energy: -3.693 local terms energy: -886.445830 where: bonds (distance) C4'-P energy: -158.233 bonds (distance) P-C4' energy: -165.558 flat angles C4'-P-C4' energy: -184.596 flat angles P-C4'-P energy: -133.492 tors. eta vs tors. theta energy: -244.566 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: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2782.979905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.979905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.979905 (E_RNA) where: Base-Base interactions energy: -1920.555 where: short stacking energy: -810.793 Base-Backbone interact. energy: -5.547 local terms energy: -856.878043 where: bonds (distance) C4'-P energy: -159.540 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -189.585 flat angles P-C4'-P energy: -115.508 tors. eta vs tors. theta energy: -238.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2668.269833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.269833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.269833 (E_RNA) where: Base-Base interactions energy: -1835.611 where: short stacking energy: -758.265 Base-Backbone interact. energy: -0.815 local terms energy: -831.843445 where: bonds (distance) C4'-P energy: -159.085 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -168.394 flat angles P-C4'-P energy: -128.432 tors. eta vs tors. theta energy: -218.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2621.137051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.137051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.137051 (E_RNA) where: Base-Base interactions energy: -1824.969 where: short stacking energy: -767.233 Base-Backbone interact. energy: -1.813 local terms energy: -794.354944 where: bonds (distance) C4'-P energy: -147.156 bonds (distance) P-C4' energy: -151.309 flat angles C4'-P-C4' energy: -178.001 flat angles P-C4'-P energy: -97.333 tors. eta vs tors. theta energy: -220.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2389.400960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.400960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.400960 (E_RNA) where: Base-Base interactions energy: -1681.856 where: short stacking energy: -668.347 Base-Backbone interact. energy: 2.870 local terms energy: -710.414984 where: bonds (distance) C4'-P energy: -128.330 bonds (distance) P-C4' energy: -137.635 flat angles C4'-P-C4' energy: -171.160 flat angles P-C4'-P energy: -108.040 tors. eta vs tors. theta energy: -165.250 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: 348 Temperature: 1.150000 Total energy: -2038.629017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.629017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.629017 (E_RNA) where: Base-Base interactions energy: -1344.215 where: short stacking energy: -572.157 Base-Backbone interact. energy: -5.630 local terms energy: -688.784471 where: bonds (distance) C4'-P energy: -146.439 bonds (distance) P-C4' energy: -133.885 flat angles C4'-P-C4' energy: -175.012 flat angles P-C4'-P energy: -99.217 tors. eta vs tors. theta energy: -134.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1871.348663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.348663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.348663 (E_RNA) where: Base-Base interactions energy: -1212.294 where: short stacking energy: -518.153 Base-Backbone interact. energy: 0.311 local terms energy: -659.365982 where: bonds (distance) C4'-P energy: -161.040 bonds (distance) P-C4' energy: -163.320 flat angles C4'-P-C4' energy: -123.875 flat angles P-C4'-P energy: -84.642 tors. eta vs tors. theta energy: -126.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1335.396451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.396451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.396451 (E_RNA) where: Base-Base interactions energy: -799.098 where: short stacking energy: -358.784 Base-Backbone interact. energy: 7.859 local terms energy: -544.158110 where: bonds (distance) C4'-P energy: -144.145 bonds (distance) P-C4' energy: -135.758 flat angles C4'-P-C4' energy: -135.228 flat angles P-C4'-P energy: -87.280 tors. eta vs tors. theta energy: -41.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -795.559388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.559388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.559388 (E_RNA) where: Base-Base interactions energy: -364.788 where: short stacking energy: -232.327 Base-Backbone interact. energy: -1.228 local terms energy: -429.543686 where: bonds (distance) C4'-P energy: -112.674 bonds (distance) P-C4' energy: -136.543 flat angles C4'-P-C4' energy: -115.123 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: 21.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -725.962828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.962828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.962828 (E_RNA) where: Base-Base interactions energy: -303.715 where: short stacking energy: -185.602 Base-Backbone interact. energy: -0.845 local terms energy: -421.403131 where: bonds (distance) C4'-P energy: -133.223 bonds (distance) P-C4' energy: -152.602 flat angles C4'-P-C4' energy: -98.117 flat angles P-C4'-P energy: -68.646 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: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2921.785968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.785968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.785968 (E_RNA) where: Base-Base interactions energy: -2053.261 where: short stacking energy: -848.437 Base-Backbone interact. energy: -4.947 local terms energy: -863.578011 where: bonds (distance) C4'-P energy: -163.629 bonds (distance) P-C4' energy: -158.405 flat angles C4'-P-C4' energy: -176.678 flat angles P-C4'-P energy: -114.636 tors. eta vs tors. theta energy: -250.230 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: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2797.333177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.333177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.333177 (E_RNA) where: Base-Base interactions energy: -1942.774 where: short stacking energy: -808.651 Base-Backbone interact. energy: -5.739 local terms energy: -848.820253 where: bonds (distance) C4'-P energy: -147.836 bonds (distance) P-C4' energy: -162.239 flat angles C4'-P-C4' energy: -186.702 flat angles P-C4'-P energy: -115.860 tors. eta vs tors. theta energy: -236.183 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: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2651.137393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.137393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.137393 (E_RNA) where: Base-Base interactions energy: -1856.972 where: short stacking energy: -758.313 Base-Backbone interact. energy: -3.547 local terms energy: -790.618705 where: bonds (distance) C4'-P energy: -139.475 bonds (distance) P-C4' energy: -155.539 flat angles C4'-P-C4' energy: -176.713 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -208.287 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: 349 Temperature: 1.050000 Total energy: -2625.743377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.743377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.743377 (E_RNA) where: Base-Base interactions energy: -1834.652 where: short stacking energy: -743.450 Base-Backbone interact. energy: -7.198 local terms energy: -783.893550 where: bonds (distance) C4'-P energy: -158.758 bonds (distance) P-C4' energy: -127.449 flat angles C4'-P-C4' energy: -165.118 flat angles P-C4'-P energy: -115.575 tors. eta vs tors. theta energy: -216.994 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: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2417.634787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.634787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.634787 (E_RNA) where: Base-Base interactions energy: -1685.973 where: short stacking energy: -708.693 Base-Backbone interact. energy: -2.249 local terms energy: -729.412779 where: bonds (distance) C4'-P energy: -123.637 bonds (distance) P-C4' energy: -138.738 flat angles C4'-P-C4' energy: -151.936 flat angles P-C4'-P energy: -116.764 tors. eta vs tors. theta energy: -198.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2049.246829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.246829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.246829 (E_RNA) where: Base-Base interactions energy: -1387.561 where: short stacking energy: -615.975 Base-Backbone interact. energy: 0.874 local terms energy: -662.559423 where: bonds (distance) C4'-P energy: -135.464 bonds (distance) P-C4' energy: -156.405 flat angles C4'-P-C4' energy: -135.914 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -149.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1847.742288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.742288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.742288 (E_RNA) where: Base-Base interactions energy: -1225.572 where: short stacking energy: -538.948 Base-Backbone interact. energy: -5.060 local terms energy: -617.109583 where: bonds (distance) C4'-P energy: -133.894 bonds (distance) P-C4' energy: -132.648 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -86.365 tors. eta vs tors. theta energy: -120.397 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: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1338.334071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.334071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.334071 (E_RNA) where: Base-Base interactions energy: -773.998 where: short stacking energy: -377.977 Base-Backbone interact. energy: 4.944 local terms energy: -569.280378 where: bonds (distance) C4'-P energy: -139.623 bonds (distance) P-C4' energy: -157.860 flat angles C4'-P-C4' energy: -125.117 flat angles P-C4'-P energy: -82.854 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: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -827.291128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.291128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.291128 (E_RNA) where: Base-Base interactions energy: -353.885 where: short stacking energy: -242.152 Base-Backbone interact. energy: -2.149 local terms energy: -471.257201 where: bonds (distance) C4'-P energy: -124.994 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -133.218 flat angles P-C4'-P energy: -66.605 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -794.492886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.492886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.492886 (E_RNA) where: Base-Base interactions energy: -339.978 where: short stacking energy: -204.317 Base-Backbone interact. energy: 1.332 local terms energy: -455.847527 where: bonds (distance) C4'-P energy: -115.452 bonds (distance) P-C4' energy: -164.136 flat angles C4'-P-C4' energy: -132.742 flat angles P-C4'-P energy: -64.716 tors. eta vs tors. theta energy: 21.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2886.295721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.295721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.295721 (E_RNA) where: Base-Base interactions energy: -2008.997 where: short stacking energy: -822.871 Base-Backbone interact. energy: -1.591 local terms energy: -875.707424 where: bonds (distance) C4'-P energy: -142.704 bonds (distance) P-C4' energy: -170.944 flat angles C4'-P-C4' energy: -192.396 flat angles P-C4'-P energy: -121.773 tors. eta vs tors. theta energy: -247.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2805.247793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.247793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.247793 (E_RNA) where: Base-Base interactions energy: -1922.482 where: short stacking energy: -824.201 Base-Backbone interact. energy: -5.631 local terms energy: -877.134311 where: bonds (distance) C4'-P energy: -153.659 bonds (distance) P-C4' energy: -173.156 flat angles C4'-P-C4' energy: -182.772 flat angles P-C4'-P energy: -118.482 tors. eta vs tors. theta energy: -249.065 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: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2716.462624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.462624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.462624 (E_RNA) where: Base-Base interactions energy: -1883.492 where: short stacking energy: -772.902 Base-Backbone interact. energy: 0.262 local terms energy: -833.232542 where: bonds (distance) C4'-P energy: -150.306 bonds (distance) P-C4' energy: -172.579 flat angles C4'-P-C4' energy: -173.132 flat angles P-C4'-P energy: -114.679 tors. eta vs tors. theta energy: -222.537 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: 4, replica: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2619.705109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.705109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.705109 (E_RNA) where: Base-Base interactions energy: -1803.854 where: short stacking energy: -779.267 Base-Backbone interact. energy: -1.659 local terms energy: -814.191818 where: bonds (distance) C4'-P energy: -158.960 bonds (distance) P-C4' energy: -133.212 flat angles C4'-P-C4' energy: -175.022 flat angles P-C4'-P energy: -112.692 tors. eta vs tors. theta energy: -234.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2420.174462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.174462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.174462 (E_RNA) where: Base-Base interactions energy: -1664.535 where: short stacking energy: -671.227 Base-Backbone interact. energy: -0.625 local terms energy: -755.013892 where: bonds (distance) C4'-P energy: -144.893 bonds (distance) P-C4' energy: -140.641 flat angles C4'-P-C4' energy: -171.467 flat angles P-C4'-P energy: -115.460 tors. eta vs tors. theta energy: -182.553 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: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2068.661006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.661006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.661006 (E_RNA) where: Base-Base interactions energy: -1362.187 where: short stacking energy: -585.633 Base-Backbone interact. energy: -1.572 local terms energy: -704.901458 where: bonds (distance) C4'-P energy: -156.894 bonds (distance) P-C4' energy: -115.108 flat angles C4'-P-C4' energy: -166.000 flat angles P-C4'-P energy: -107.048 tors. eta vs tors. theta energy: -159.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1915.135754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.135754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.135754 (E_RNA) where: Base-Base interactions energy: -1259.702 where: short stacking energy: -561.565 Base-Backbone interact. energy: -1.213 local terms energy: -654.221458 where: bonds (distance) C4'-P energy: -135.733 bonds (distance) P-C4' energy: -137.872 flat angles C4'-P-C4' energy: -137.651 flat angles P-C4'-P energy: -100.289 tors. eta vs tors. theta energy: -142.677 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1303.853904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.853904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.853904 (E_RNA) where: Base-Base interactions energy: -777.399 where: short stacking energy: -357.728 Base-Backbone interact. energy: 1.446 local terms energy: -527.901059 where: bonds (distance) C4'-P energy: -127.551 bonds (distance) P-C4' energy: -149.620 flat angles C4'-P-C4' energy: -136.135 flat angles P-C4'-P energy: -74.059 tors. eta vs tors. theta energy: -40.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -839.592395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.592395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.592395 (E_RNA) where: Base-Base interactions energy: -377.983 where: short stacking energy: -247.049 Base-Backbone interact. energy: 9.274 local terms energy: -470.883652 where: bonds (distance) C4'-P energy: -132.455 bonds (distance) P-C4' energy: -149.081 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -8.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -727.712503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.712503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.712503 (E_RNA) where: Base-Base interactions energy: -308.407 where: short stacking energy: -211.018 Base-Backbone interact. energy: 1.943 local terms energy: -421.248826 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -143.826 flat angles C4'-P-C4' energy: -115.676 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: 14.435 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: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2911.832589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.832589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.832589 (E_RNA) where: Base-Base interactions energy: -2030.558 where: short stacking energy: -842.982 Base-Backbone interact. energy: -4.124 local terms energy: -877.149941 where: bonds (distance) C4'-P energy: -153.896 bonds (distance) P-C4' energy: -167.902 flat angles C4'-P-C4' energy: -194.370 flat angles P-C4'-P energy: -112.530 tors. eta vs tors. theta energy: -248.452 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: 351 Temperature: 0.950000 Total energy: -2752.911608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.911608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.911608 (E_RNA) where: Base-Base interactions energy: -1903.786 where: short stacking energy: -783.738 Base-Backbone interact. energy: -4.796 local terms energy: -844.329727 where: bonds (distance) C4'-P energy: -157.030 bonds (distance) P-C4' energy: -157.507 flat angles C4'-P-C4' energy: -180.184 flat angles P-C4'-P energy: -123.166 tors. eta vs tors. theta energy: -226.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2680.038834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.038834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.038834 (E_RNA) where: Base-Base interactions energy: -1859.677 where: short stacking energy: -777.289 Base-Backbone interact. energy: -1.515 local terms energy: -818.846310 where: bonds (distance) C4'-P energy: -156.585 bonds (distance) P-C4' energy: -144.289 flat angles C4'-P-C4' energy: -173.578 flat angles P-C4'-P energy: -114.677 tors. eta vs tors. theta energy: -229.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2616.440799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.440799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.440799 (E_RNA) where: Base-Base interactions energy: -1798.232 where: short stacking energy: -772.083 Base-Backbone interact. energy: -4.958 local terms energy: -813.250302 where: bonds (distance) C4'-P energy: -169.194 bonds (distance) P-C4' energy: -149.118 flat angles C4'-P-C4' energy: -178.313 flat angles P-C4'-P energy: -89.050 tors. eta vs tors. theta energy: -227.575 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: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2462.160350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.160350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.160350 (E_RNA) where: Base-Base interactions energy: -1702.350 where: short stacking energy: -689.437 Base-Backbone interact. energy: -5.717 local terms energy: -754.092675 where: bonds (distance) C4'-P energy: -145.723 bonds (distance) P-C4' energy: -164.009 flat angles C4'-P-C4' energy: -167.446 flat angles P-C4'-P energy: -100.066 tors. eta vs tors. theta energy: -176.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2107.772497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.772497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.772497 (E_RNA) where: Base-Base interactions energy: -1396.231 where: short stacking energy: -601.109 Base-Backbone interact. energy: 5.031 local terms energy: -716.572624 where: bonds (distance) C4'-P energy: -134.940 bonds (distance) P-C4' energy: -151.201 flat angles C4'-P-C4' energy: -176.487 flat angles P-C4'-P energy: -97.429 tors. eta vs tors. theta energy: -156.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1876.195124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.195124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.195124 (E_RNA) where: Base-Base interactions energy: -1242.561 where: short stacking energy: -493.883 Base-Backbone interact. energy: -4.707 local terms energy: -628.927620 where: bonds (distance) C4'-P energy: -133.685 bonds (distance) P-C4' energy: -148.020 flat angles C4'-P-C4' energy: -140.475 flat angles P-C4'-P energy: -91.997 tors. eta vs tors. theta energy: -114.751 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: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1293.510541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.510541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.510541 (E_RNA) where: Base-Base interactions energy: -737.956 where: short stacking energy: -332.853 Base-Backbone interact. energy: 2.185 local terms energy: -557.738991 where: bonds (distance) C4'-P energy: -153.033 bonds (distance) P-C4' energy: -152.556 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -81.294 tors. eta vs tors. theta energy: -42.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -830.905661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.905661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.905661 (E_RNA) where: Base-Base interactions energy: -387.848 where: short stacking energy: -231.421 Base-Backbone interact. energy: -4.704 local terms energy: -438.353842 where: bonds (distance) C4'-P energy: -134.208 bonds (distance) P-C4' energy: -146.988 flat angles C4'-P-C4' energy: -122.301 flat angles P-C4'-P energy: -55.548 tors. eta vs tors. theta energy: 20.691 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: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -739.516783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.516783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.516783 (E_RNA) where: Base-Base interactions energy: -307.058 where: short stacking energy: -206.228 Base-Backbone interact. energy: 2.317 local terms energy: -434.776045 where: bonds (distance) C4'-P energy: -132.045 bonds (distance) P-C4' energy: -119.446 flat angles C4'-P-C4' energy: -123.368 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: 3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2925.914465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.914465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.914465 (E_RNA) where: Base-Base interactions energy: -2039.112 where: short stacking energy: -844.337 Base-Backbone interact. energy: 2.608 local terms energy: -889.410784 where: bonds (distance) C4'-P energy: -165.891 bonds (distance) P-C4' energy: -162.989 flat angles C4'-P-C4' energy: -190.185 flat angles P-C4'-P energy: -130.497 tors. eta vs tors. theta energy: -239.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2743.561539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.561539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.561539 (E_RNA) where: Base-Base interactions energy: -1910.059 where: short stacking energy: -785.022 Base-Backbone interact. energy: -0.076 local terms energy: -833.426283 where: bonds (distance) C4'-P energy: -139.107 bonds (distance) P-C4' energy: -166.946 flat angles C4'-P-C4' energy: -188.847 flat angles P-C4'-P energy: -111.812 tors. eta vs tors. theta energy: -226.714 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: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2672.107203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.107203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.107203 (E_RNA) where: Base-Base interactions energy: -1851.186 where: short stacking energy: -801.530 Base-Backbone interact. energy: -7.921 local terms energy: -813.000159 where: bonds (distance) C4'-P energy: -137.355 bonds (distance) P-C4' energy: -147.191 flat angles C4'-P-C4' energy: -182.419 flat angles P-C4'-P energy: -111.045 tors. eta vs tors. theta energy: -234.990 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: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2600.001886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.001886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.001886 (E_RNA) where: Base-Base interactions energy: -1799.672 where: short stacking energy: -742.146 Base-Backbone interact. energy: -0.798 local terms energy: -799.532281 where: bonds (distance) C4'-P energy: -142.771 bonds (distance) P-C4' energy: -151.695 flat angles C4'-P-C4' energy: -177.904 flat angles P-C4'-P energy: -109.244 tors. eta vs tors. theta energy: -217.918 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: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2491.313241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.313241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.313241 (E_RNA) where: Base-Base interactions energy: -1726.355 where: short stacking energy: -678.444 Base-Backbone interact. energy: 2.025 local terms energy: -766.983397 where: bonds (distance) C4'-P energy: -166.196 bonds (distance) P-C4' energy: -152.684 flat angles C4'-P-C4' energy: -172.160 flat angles P-C4'-P energy: -88.167 tors. eta vs tors. theta energy: -187.777 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2096.583663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.583663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.583663 (E_RNA) where: Base-Base interactions energy: -1406.761 where: short stacking energy: -597.235 Base-Backbone interact. energy: -0.686 local terms energy: -689.137165 where: bonds (distance) C4'-P energy: -170.583 bonds (distance) P-C4' energy: -142.428 flat angles C4'-P-C4' energy: -159.320 flat angles P-C4'-P energy: -75.150 tors. eta vs tors. theta energy: -141.657 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: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1918.545096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.545096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.545096 (E_RNA) where: Base-Base interactions energy: -1264.680 where: short stacking energy: -519.698 Base-Backbone interact. energy: -2.035 local terms energy: -651.829676 where: bonds (distance) C4'-P energy: -134.695 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -132.855 flat angles P-C4'-P energy: -99.120 tors. eta vs tors. theta energy: -133.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1415.073865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.073865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.073865 (E_RNA) where: Base-Base interactions energy: -859.948 where: short stacking energy: -368.908 Base-Backbone interact. energy: 9.792 local terms energy: -564.918004 where: bonds (distance) C4'-P energy: -144.716 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -153.795 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -43.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -802.259395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.259395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.259395 (E_RNA) where: Base-Base interactions energy: -321.421 where: short stacking energy: -209.538 Base-Backbone interact. energy: -1.513 local terms energy: -479.325464 where: bonds (distance) C4'-P energy: -148.411 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -145.486 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: 19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -847.050458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.050458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.050458 (E_RNA) where: Base-Base interactions energy: -400.609 where: short stacking energy: -254.845 Base-Backbone interact. energy: 2.036 local terms energy: -448.477920 where: bonds (distance) C4'-P energy: -117.677 bonds (distance) P-C4' energy: -140.033 flat angles C4'-P-C4' energy: -113.771 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: -10.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2859.145921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.145921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.145921 (E_RNA) where: Base-Base interactions energy: -1999.074 where: short stacking energy: -826.877 Base-Backbone interact. energy: 0.429 local terms energy: -860.500934 where: bonds (distance) C4'-P energy: -167.747 bonds (distance) P-C4' energy: -143.864 flat angles C4'-P-C4' energy: -179.130 flat angles P-C4'-P energy: -130.781 tors. eta vs tors. theta energy: -238.979 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2770.161549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.161549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.161549 (E_RNA) where: Base-Base interactions energy: -1898.506 where: short stacking energy: -812.211 Base-Backbone interact. energy: -5.624 local terms energy: -866.031583 where: bonds (distance) C4'-P energy: -157.383 bonds (distance) P-C4' energy: -159.465 flat angles C4'-P-C4' energy: -179.570 flat angles P-C4'-P energy: -129.092 tors. eta vs tors. theta energy: -240.521 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: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2719.757555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.757555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.757555 (E_RNA) where: Base-Base interactions energy: -1873.125 where: short stacking energy: -762.370 Base-Backbone interact. energy: -0.455 local terms energy: -846.177460 where: bonds (distance) C4'-P energy: -163.890 bonds (distance) P-C4' energy: -165.326 flat angles C4'-P-C4' energy: -183.186 flat angles P-C4'-P energy: -104.619 tors. eta vs tors. theta energy: -229.156 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: 353 Temperature: 1.050000 Total energy: -2588.852833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.852833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.852833 (E_RNA) where: Base-Base interactions energy: -1763.587 where: short stacking energy: -725.484 Base-Backbone interact. energy: 0.021 local terms energy: -825.286525 where: bonds (distance) C4'-P energy: -152.745 bonds (distance) P-C4' energy: -165.400 flat angles C4'-P-C4' energy: -163.209 flat angles P-C4'-P energy: -120.943 tors. eta vs tors. theta energy: -222.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2469.843203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.843203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.843203 (E_RNA) where: Base-Base interactions energy: -1720.026 where: short stacking energy: -679.988 Base-Backbone interact. energy: 2.180 local terms energy: -751.997073 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -164.149 flat angles C4'-P-C4' energy: -163.290 flat angles P-C4'-P energy: -108.386 tors. eta vs tors. theta energy: -183.275 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: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2086.396497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.396497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.396497 (E_RNA) where: Base-Base interactions energy: -1396.921 where: short stacking energy: -600.729 Base-Backbone interact. energy: -3.342 local terms energy: -686.133596 where: bonds (distance) C4'-P energy: -142.418 bonds (distance) P-C4' energy: -137.479 flat angles C4'-P-C4' energy: -161.643 flat angles P-C4'-P energy: -94.088 tors. eta vs tors. theta energy: -150.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1857.476887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.476887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.476887 (E_RNA) where: Base-Base interactions energy: -1238.478 where: short stacking energy: -524.784 Base-Backbone interact. energy: 6.485 local terms energy: -625.483401 where: bonds (distance) C4'-P energy: -122.754 bonds (distance) P-C4' energy: -153.602 flat angles C4'-P-C4' energy: -159.225 flat angles P-C4'-P energy: -69.288 tors. eta vs tors. theta energy: -120.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1367.572753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.572753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.572753 (E_RNA) where: Base-Base interactions energy: -849.275 where: short stacking energy: -406.110 Base-Backbone interact. energy: 3.703 local terms energy: -522.000221 where: bonds (distance) C4'-P energy: -132.253 bonds (distance) P-C4' energy: -144.246 flat angles C4'-P-C4' energy: -126.583 flat angles P-C4'-P energy: -60.303 tors. eta vs tors. theta energy: -58.615 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: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -792.233686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.233686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.233686 (E_RNA) where: Base-Base interactions energy: -332.494 where: short stacking energy: -225.277 Base-Backbone interact. energy: -1.379 local terms energy: -458.361507 where: bonds (distance) C4'-P energy: -142.603 bonds (distance) P-C4' energy: -140.376 flat angles C4'-P-C4' energy: -114.692 flat angles P-C4'-P energy: -68.018 tors. eta vs tors. theta energy: 7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -743.900914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.900914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.900914 (E_RNA) where: Base-Base interactions energy: -320.828 where: short stacking energy: -210.940 Base-Backbone interact. energy: -2.030 local terms energy: -421.043184 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -135.841 flat angles C4'-P-C4' energy: -119.234 flat angles P-C4'-P energy: -62.798 tors. eta vs tors. theta energy: 25.758 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: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2868.135273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.135273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.135273 (E_RNA) where: Base-Base interactions energy: -1980.148 where: short stacking energy: -811.994 Base-Backbone interact. energy: -5.594 local terms energy: -882.393201 where: bonds (distance) C4'-P energy: -161.391 bonds (distance) P-C4' energy: -158.343 flat angles C4'-P-C4' energy: -194.489 flat angles P-C4'-P energy: -126.249 tors. eta vs tors. theta energy: -241.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2761.690192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.690192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.690192 (E_RNA) where: Base-Base interactions energy: -1919.679 where: short stacking energy: -807.019 Base-Backbone interact. energy: -2.182 local terms energy: -839.829943 where: bonds (distance) C4'-P energy: -143.100 bonds (distance) P-C4' energy: -162.618 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -113.999 tors. eta vs tors. theta energy: -240.853 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: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2782.826531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.826531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.826531 (E_RNA) where: Base-Base interactions energy: -1920.276 where: short stacking energy: -768.450 Base-Backbone interact. energy: -4.491 local terms energy: -858.059123 where: bonds (distance) C4'-P energy: -172.098 bonds (distance) P-C4' energy: -152.745 flat angles C4'-P-C4' energy: -179.982 flat angles P-C4'-P energy: -119.487 tors. eta vs tors. theta energy: -233.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2580.774000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.774000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.774000 (E_RNA) where: Base-Base interactions energy: -1764.392 where: short stacking energy: -756.197 Base-Backbone interact. energy: -4.135 local terms energy: -812.246449 where: bonds (distance) C4'-P energy: -147.979 bonds (distance) P-C4' energy: -145.269 flat angles C4'-P-C4' energy: -175.557 flat angles P-C4'-P energy: -113.410 tors. eta vs tors. theta energy: -230.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2388.156176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.156176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.156176 (E_RNA) where: Base-Base interactions energy: -1674.680 where: short stacking energy: -696.834 Base-Backbone interact. energy: -3.659 local terms energy: -709.817128 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -151.814 flat angles C4'-P-C4' energy: -170.022 flat angles P-C4'-P energy: -114.847 tors. eta vs tors. theta energy: -176.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2092.098954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.098954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.098954 (E_RNA) where: Base-Base interactions energy: -1409.826 where: short stacking energy: -627.908 Base-Backbone interact. energy: 6.002 local terms energy: -688.275318 where: bonds (distance) C4'-P energy: -136.105 bonds (distance) P-C4' energy: -141.877 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -106.241 tors. eta vs tors. theta energy: -149.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1871.042283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.042283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.042283 (E_RNA) where: Base-Base interactions energy: -1213.106 where: short stacking energy: -524.879 Base-Backbone interact. energy: -3.098 local terms energy: -654.838352 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -157.719 flat angles C4'-P-C4' energy: -140.649 flat angles P-C4'-P energy: -97.430 tors. eta vs tors. theta energy: -119.414 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: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1381.726119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.726119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.726119 (E_RNA) where: Base-Base interactions energy: -811.218 where: short stacking energy: -400.423 Base-Backbone interact. energy: -0.033 local terms energy: -570.475309 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -137.563 flat angles P-C4'-P energy: -78.109 tors. eta vs tors. theta energy: -77.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -790.266784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.266784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.266784 (E_RNA) where: Base-Base interactions energy: -327.306 where: short stacking energy: -223.781 Base-Backbone interact. energy: -2.554 local terms energy: -460.406778 where: bonds (distance) C4'-P energy: -139.971 bonds (distance) P-C4' energy: -142.985 flat angles C4'-P-C4' energy: -128.580 flat angles P-C4'-P energy: -65.872 tors. eta vs tors. theta energy: 17.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -755.012191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.012191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.012191 (E_RNA) where: Base-Base interactions energy: -321.299 where: short stacking energy: -207.072 Base-Backbone interact. energy: -1.956 local terms energy: -431.757281 where: bonds (distance) C4'-P energy: -134.323 bonds (distance) P-C4' energy: -133.903 flat angles C4'-P-C4' energy: -118.612 flat angles P-C4'-P energy: -53.118 tors. eta vs tors. theta energy: 8.198 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2876.985296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.985296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.985296 (E_RNA) where: Base-Base interactions energy: -2004.403 where: short stacking energy: -821.337 Base-Backbone interact. energy: 0.394 local terms energy: -872.975922 where: bonds (distance) C4'-P energy: -166.674 bonds (distance) P-C4' energy: -158.483 flat angles C4'-P-C4' energy: -181.672 flat angles P-C4'-P energy: -124.688 tors. eta vs tors. theta energy: -241.459 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: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2771.855243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.855243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.855243 (E_RNA) where: Base-Base interactions energy: -1888.181 where: short stacking energy: -825.290 Base-Backbone interact. energy: -0.732 local terms energy: -882.942384 where: bonds (distance) C4'-P energy: -152.012 bonds (distance) P-C4' energy: -164.598 flat angles C4'-P-C4' energy: -195.561 flat angles P-C4'-P energy: -125.206 tors. eta vs tors. theta energy: -245.565 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: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2759.023427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.023427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.023427 (E_RNA) where: Base-Base interactions energy: -1942.479 where: short stacking energy: -786.276 Base-Backbone interact. energy: -7.045 local terms energy: -809.499735 where: bonds (distance) C4'-P energy: -125.785 bonds (distance) P-C4' energy: -154.502 flat angles C4'-P-C4' energy: -181.209 flat angles P-C4'-P energy: -115.053 tors. eta vs tors. theta energy: -232.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2565.086881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.086881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.086881 (E_RNA) where: Base-Base interactions energy: -1750.732 where: short stacking energy: -721.327 Base-Backbone interact. energy: -4.437 local terms energy: -809.917375 where: bonds (distance) C4'-P energy: -151.144 bonds (distance) P-C4' energy: -154.373 flat angles C4'-P-C4' energy: -186.260 flat angles P-C4'-P energy: -115.187 tors. eta vs tors. theta energy: -202.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2385.248188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.248188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.248188 (E_RNA) where: Base-Base interactions energy: -1649.146 where: short stacking energy: -669.862 Base-Backbone interact. energy: -1.001 local terms energy: -735.101657 where: bonds (distance) C4'-P energy: -148.948 bonds (distance) P-C4' energy: -138.888 flat angles C4'-P-C4' energy: -162.956 flat angles P-C4'-P energy: -107.041 tors. eta vs tors. theta energy: -177.268 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: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2109.186486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.186486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.186486 (E_RNA) where: Base-Base interactions energy: -1405.320 where: short stacking energy: -606.794 Base-Backbone interact. energy: -2.784 local terms energy: -701.082040 where: bonds (distance) C4'-P energy: -135.685 bonds (distance) P-C4' energy: -152.497 flat angles C4'-P-C4' energy: -159.488 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -151.554 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1797.628015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.628015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.628015 (E_RNA) where: Base-Base interactions energy: -1191.741 where: short stacking energy: -510.092 Base-Backbone interact. energy: -1.294 local terms energy: -604.593034 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -138.512 flat angles C4'-P-C4' energy: -157.782 flat angles P-C4'-P energy: -73.534 tors. eta vs tors. theta energy: -98.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1367.421196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.421196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.421196 (E_RNA) where: Base-Base interactions energy: -801.187 where: short stacking energy: -381.771 Base-Backbone interact. energy: 6.586 local terms energy: -572.820819 where: bonds (distance) C4'-P energy: -119.047 bonds (distance) P-C4' energy: -146.484 flat angles C4'-P-C4' energy: -152.834 flat angles P-C4'-P energy: -101.843 tors. eta vs tors. theta energy: -52.613 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: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -795.815032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.815032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.815032 (E_RNA) where: Base-Base interactions energy: -293.213 where: short stacking energy: -207.025 Base-Backbone interact. energy: -3.788 local terms energy: -498.813543 where: bonds (distance) C4'-P energy: -132.278 bonds (distance) P-C4' energy: -149.329 flat angles C4'-P-C4' energy: -119.227 flat angles P-C4'-P energy: -100.059 tors. eta vs tors. theta energy: 2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -765.958978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.958978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.958978 (E_RNA) where: Base-Base interactions energy: -341.477 where: short stacking energy: -213.705 Base-Backbone interact. energy: -0.315 local terms energy: -424.167473 where: bonds (distance) C4'-P energy: -131.807 bonds (distance) P-C4' energy: -116.525 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -69.114 tors. eta vs tors. theta energy: 12.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2898.336387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.336387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.336387 (E_RNA) where: Base-Base interactions energy: -2026.662 where: short stacking energy: -837.829 Base-Backbone interact. energy: 5.131 local terms energy: -876.805278 where: bonds (distance) C4'-P energy: -171.855 bonds (distance) P-C4' energy: -156.234 flat angles C4'-P-C4' energy: -185.454 flat angles P-C4'-P energy: -125.047 tors. eta vs tors. theta energy: -238.215 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: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2750.711792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.711792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.711792 (E_RNA) where: Base-Base interactions energy: -1877.127 where: short stacking energy: -811.324 Base-Backbone interact. energy: -1.110 local terms energy: -872.474042 where: bonds (distance) C4'-P energy: -143.057 bonds (distance) P-C4' energy: -161.186 flat angles C4'-P-C4' energy: -190.240 flat angles P-C4'-P energy: -139.189 tors. eta vs tors. theta energy: -238.802 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: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2768.568648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.568648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.568648 (E_RNA) where: Base-Base interactions energy: -1903.435 where: short stacking energy: -761.474 Base-Backbone interact. energy: -2.354 local terms energy: -862.780448 where: bonds (distance) C4'-P energy: -164.064 bonds (distance) P-C4' energy: -163.361 flat angles C4'-P-C4' energy: -177.431 flat angles P-C4'-P energy: -129.505 tors. eta vs tors. theta energy: -228.419 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: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2545.705118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.705118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.705118 (E_RNA) where: Base-Base interactions energy: -1766.848 where: short stacking energy: -728.332 Base-Backbone interact. energy: -3.936 local terms energy: -774.921164 where: bonds (distance) C4'-P energy: -139.298 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -173.581 flat angles P-C4'-P energy: -121.808 tors. eta vs tors. theta energy: -210.433 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: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2428.624777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.624777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.624777 (E_RNA) where: Base-Base interactions energy: -1702.867 where: short stacking energy: -689.110 Base-Backbone interact. energy: -5.156 local terms energy: -720.601700 where: bonds (distance) C4'-P energy: -139.183 bonds (distance) P-C4' energy: -134.131 flat angles C4'-P-C4' energy: -155.189 flat angles P-C4'-P energy: -109.382 tors. eta vs tors. theta energy: -182.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2136.851908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.851908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.851908 (E_RNA) where: Base-Base interactions energy: -1416.416 where: short stacking energy: -608.580 Base-Backbone interact. energy: -0.379 local terms energy: -720.057104 where: bonds (distance) C4'-P energy: -156.865 bonds (distance) P-C4' energy: -137.381 flat angles C4'-P-C4' energy: -154.608 flat angles P-C4'-P energy: -106.437 tors. eta vs tors. theta energy: -164.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1794.832360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.832360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.832360 (E_RNA) where: Base-Base interactions energy: -1148.156 where: short stacking energy: -486.849 Base-Backbone interact. energy: -4.916 local terms energy: -641.760503 where: bonds (distance) C4'-P energy: -126.025 bonds (distance) P-C4' energy: -151.303 flat angles C4'-P-C4' energy: -155.875 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -106.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1370.800887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.800887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.800887 (E_RNA) where: Base-Base interactions energy: -807.627 where: short stacking energy: -391.262 Base-Backbone interact. energy: -2.516 local terms energy: -560.658262 where: bonds (distance) C4'-P energy: -159.236 bonds (distance) P-C4' energy: -153.583 flat angles C4'-P-C4' energy: -127.759 flat angles P-C4'-P energy: -77.187 tors. eta vs tors. theta energy: -42.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -731.232951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.232951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.232951 (E_RNA) where: Base-Base interactions energy: -326.150 where: short stacking energy: -223.509 Base-Backbone interact. energy: 4.634 local terms energy: -409.716751 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -108.540 flat angles P-C4'-P energy: -63.585 tors. eta vs tors. theta energy: 6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -736.757541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.757541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.757541 (E_RNA) where: Base-Base interactions energy: -305.910 where: short stacking energy: -181.305 Base-Backbone interact. energy: -1.842 local terms energy: -429.006390 where: bonds (distance) C4'-P energy: -135.506 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -63.575 tors. eta vs tors. theta energy: 25.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2867.791907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.791907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.791907 (E_RNA) where: Base-Base interactions energy: -2001.471 where: short stacking energy: -815.075 Base-Backbone interact. energy: -2.457 local terms energy: -863.863488 where: bonds (distance) C4'-P energy: -161.998 bonds (distance) P-C4' energy: -160.883 flat angles C4'-P-C4' energy: -176.866 flat angles P-C4'-P energy: -116.886 tors. eta vs tors. theta energy: -247.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2751.227221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.227221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.227221 (E_RNA) where: Base-Base interactions energy: -1897.281 where: short stacking energy: -842.830 Base-Backbone interact. energy: -4.443 local terms energy: -849.503888 where: bonds (distance) C4'-P energy: -155.515 bonds (distance) P-C4' energy: -154.692 flat angles C4'-P-C4' energy: -183.373 flat angles P-C4'-P energy: -107.262 tors. eta vs tors. theta energy: -248.661 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: 357 Temperature: 1.000000 Total energy: -2708.141248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.141248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.141248 (E_RNA) where: Base-Base interactions energy: -1881.748 where: short stacking energy: -763.178 Base-Backbone interact. energy: 1.447 local terms energy: -827.840319 where: bonds (distance) C4'-P energy: -154.186 bonds (distance) P-C4' energy: -146.165 flat angles C4'-P-C4' energy: -190.547 flat angles P-C4'-P energy: -113.414 tors. eta vs tors. theta energy: -223.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2591.808452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.808452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.808452 (E_RNA) where: Base-Base interactions energy: -1784.092 where: short stacking energy: -743.684 Base-Backbone interact. energy: -0.138 local terms energy: -807.579091 where: bonds (distance) C4'-P energy: -141.184 bonds (distance) P-C4' energy: -147.781 flat angles C4'-P-C4' energy: -180.355 flat angles P-C4'-P energy: -116.209 tors. eta vs tors. theta energy: -222.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2345.928985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.928985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.928985 (E_RNA) where: Base-Base interactions energy: -1636.000 where: short stacking energy: -642.306 Base-Backbone interact. energy: -3.055 local terms energy: -706.874043 where: bonds (distance) C4'-P energy: -150.222 bonds (distance) P-C4' energy: -127.715 flat angles C4'-P-C4' energy: -165.592 flat angles P-C4'-P energy: -93.915 tors. eta vs tors. theta energy: -169.431 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: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2173.755683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.755683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.755683 (E_RNA) where: Base-Base interactions energy: -1512.417 where: short stacking energy: -625.136 Base-Backbone interact. energy: -3.901 local terms energy: -657.437326 where: bonds (distance) C4'-P energy: -120.784 bonds (distance) P-C4' energy: -159.562 flat angles C4'-P-C4' energy: -147.587 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -154.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1786.103961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.103961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.103961 (E_RNA) where: Base-Base interactions energy: -1156.525 where: short stacking energy: -535.045 Base-Backbone interact. energy: -2.900 local terms energy: -626.678147 where: bonds (distance) C4'-P energy: -109.756 bonds (distance) P-C4' energy: -139.000 flat angles C4'-P-C4' energy: -153.925 flat angles P-C4'-P energy: -101.553 tors. eta vs tors. theta energy: -122.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1381.894899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.894899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.894899 (E_RNA) where: Base-Base interactions energy: -827.740 where: short stacking energy: -394.173 Base-Backbone interact. energy: 0.679 local terms energy: -554.834280 where: bonds (distance) C4'-P energy: -134.728 bonds (distance) P-C4' energy: -134.607 flat angles C4'-P-C4' energy: -133.334 flat angles P-C4'-P energy: -86.600 tors. eta vs tors. theta energy: -65.566 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: 357 Temperature: 1.300000 Total energy: -767.522946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.522946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.522946 (E_RNA) where: Base-Base interactions energy: -324.165 where: short stacking energy: -207.203 Base-Backbone interact. energy: -1.336 local terms energy: -442.022101 where: bonds (distance) C4'-P energy: -125.986 bonds (distance) P-C4' energy: -130.344 flat angles C4'-P-C4' energy: -129.440 flat angles P-C4'-P energy: -69.323 tors. eta vs tors. theta energy: 13.070 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: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -718.216341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.216341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.216341 (E_RNA) where: Base-Base interactions energy: -327.768 where: short stacking energy: -215.343 Base-Backbone interact. energy: -0.331 local terms energy: -390.118253 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -117.493 flat angles C4'-P-C4' energy: -106.442 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: 9.919 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: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2872.829436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.829436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.829436 (E_RNA) where: Base-Base interactions energy: -2010.422 where: short stacking energy: -837.427 Base-Backbone interact. energy: -2.400 local terms energy: -860.007486 where: bonds (distance) C4'-P energy: -159.028 bonds (distance) P-C4' energy: -166.436 flat angles C4'-P-C4' energy: -178.848 flat angles P-C4'-P energy: -120.892 tors. eta vs tors. theta energy: -234.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2746.057778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.057778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.057778 (E_RNA) where: Base-Base interactions energy: -1877.540 where: short stacking energy: -852.114 Base-Backbone interact. energy: -3.481 local terms energy: -865.037188 where: bonds (distance) C4'-P energy: -157.594 bonds (distance) P-C4' energy: -152.699 flat angles C4'-P-C4' energy: -188.798 flat angles P-C4'-P energy: -121.573 tors. eta vs tors. theta energy: -244.373 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: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2683.107358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.107358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.107358 (E_RNA) where: Base-Base interactions energy: -1874.480 where: short stacking energy: -774.440 Base-Backbone interact. energy: 1.831 local terms energy: -810.458532 where: bonds (distance) C4'-P energy: -133.617 bonds (distance) P-C4' energy: -168.622 flat angles C4'-P-C4' energy: -168.491 flat angles P-C4'-P energy: -116.778 tors. eta vs tors. theta energy: -222.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2534.666884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.666884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.666884 (E_RNA) where: Base-Base interactions energy: -1775.423 where: short stacking energy: -744.401 Base-Backbone interact. energy: -1.556 local terms energy: -757.688227 where: bonds (distance) C4'-P energy: -137.713 bonds (distance) P-C4' energy: -144.538 flat angles C4'-P-C4' energy: -161.136 flat angles P-C4'-P energy: -105.188 tors. eta vs tors. theta energy: -209.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2358.714932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.714932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.714932 (E_RNA) where: Base-Base interactions energy: -1653.929 where: short stacking energy: -670.839 Base-Backbone interact. energy: 6.128 local terms energy: -710.913581 where: bonds (distance) C4'-P energy: -141.114 bonds (distance) P-C4' energy: -150.061 flat angles C4'-P-C4' energy: -165.356 flat angles P-C4'-P energy: -83.764 tors. eta vs tors. theta energy: -170.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2175.748558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.748558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.748558 (E_RNA) where: Base-Base interactions energy: -1472.113 where: short stacking energy: -614.616 Base-Backbone interact. energy: -3.443 local terms energy: -700.193240 where: bonds (distance) C4'-P energy: -135.743 bonds (distance) P-C4' energy: -148.785 flat angles C4'-P-C4' energy: -155.021 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -160.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1874.339388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.339388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.339388 (E_RNA) where: Base-Base interactions energy: -1226.467 where: short stacking energy: -534.464 Base-Backbone interact. energy: 1.222 local terms energy: -649.095206 where: bonds (distance) C4'-P energy: -138.908 bonds (distance) P-C4' energy: -144.425 flat angles C4'-P-C4' energy: -152.340 flat angles P-C4'-P energy: -95.822 tors. eta vs tors. theta energy: -117.601 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: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1281.358755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.358755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.358755 (E_RNA) where: Base-Base interactions energy: -777.227 where: short stacking energy: -353.042 Base-Backbone interact. energy: -1.013 local terms energy: -503.119424 where: bonds (distance) C4'-P energy: -145.549 bonds (distance) P-C4' energy: -127.781 flat angles C4'-P-C4' energy: -132.657 flat angles P-C4'-P energy: -64.485 tors. eta vs tors. theta energy: -32.647 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: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -765.327865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.327865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.327865 (E_RNA) where: Base-Base interactions energy: -304.053 where: short stacking energy: -199.022 Base-Backbone interact. energy: -3.981 local terms energy: -457.293328 where: bonds (distance) C4'-P energy: -152.459 bonds (distance) P-C4' energy: -141.865 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: 11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -711.705737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.705737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.705737 (E_RNA) where: Base-Base interactions energy: -311.280 where: short stacking energy: -213.159 Base-Backbone interact. energy: 4.092 local terms energy: -404.517696 where: bonds (distance) C4'-P energy: -133.776 bonds (distance) P-C4' energy: -145.951 flat angles C4'-P-C4' energy: -95.824 flat angles P-C4'-P energy: -44.543 tors. eta vs tors. theta energy: 15.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2873.558526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.558526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.558526 (E_RNA) where: Base-Base interactions energy: -2010.179 where: short stacking energy: -797.800 Base-Backbone interact. energy: -7.872 local terms energy: -855.507017 where: bonds (distance) C4'-P energy: -166.315 bonds (distance) P-C4' energy: -165.157 flat angles C4'-P-C4' energy: -170.460 flat angles P-C4'-P energy: -117.016 tors. eta vs tors. theta energy: -236.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2774.673536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.673536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.673536 (E_RNA) where: Base-Base interactions energy: -1889.788 where: short stacking energy: -789.949 Base-Backbone interact. energy: -3.794 local terms energy: -881.091934 where: bonds (distance) C4'-P energy: -155.204 bonds (distance) P-C4' energy: -164.420 flat angles C4'-P-C4' energy: -192.053 flat angles P-C4'-P energy: -122.878 tors. eta vs tors. theta energy: -246.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2690.652933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.652933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.652933 (E_RNA) where: Base-Base interactions energy: -1860.424 where: short stacking energy: -783.673 Base-Backbone interact. energy: -3.443 local terms energy: -826.785935 where: bonds (distance) C4'-P energy: -168.067 bonds (distance) P-C4' energy: -143.389 flat angles C4'-P-C4' energy: -175.779 flat angles P-C4'-P energy: -113.333 tors. eta vs tors. theta energy: -226.218 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: 359 Temperature: 1.050000 Total energy: -2609.112716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.112716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.112716 (E_RNA) where: Base-Base interactions energy: -1805.942 where: short stacking energy: -739.938 Base-Backbone interact. energy: -2.921 local terms energy: -800.249226 where: bonds (distance) C4'-P energy: -151.138 bonds (distance) P-C4' energy: -154.470 flat angles C4'-P-C4' energy: -168.896 flat angles P-C4'-P energy: -109.720 tors. eta vs tors. theta energy: -216.024 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: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2381.162864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.162864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.162864 (E_RNA) where: Base-Base interactions energy: -1633.275 where: short stacking energy: -648.392 Base-Backbone interact. energy: -1.532 local terms energy: -746.355032 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -165.230 flat angles C4'-P-C4' energy: -159.942 flat angles P-C4'-P energy: -101.025 tors. eta vs tors. theta energy: -173.441 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: 359 Temperature: 1.150000 Total energy: -2214.876299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.876299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.876299 (E_RNA) where: Base-Base interactions energy: -1516.239 where: short stacking energy: -626.995 Base-Backbone interact. energy: 2.286 local terms energy: -700.923219 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -134.133 flat angles C4'-P-C4' energy: -167.144 flat angles P-C4'-P energy: -107.594 tors. eta vs tors. theta energy: -170.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1832.830253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.830253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.830253 (E_RNA) where: Base-Base interactions energy: -1224.581 where: short stacking energy: -519.531 Base-Backbone interact. energy: 1.599 local terms energy: -609.848722 where: bonds (distance) C4'-P energy: -141.291 bonds (distance) P-C4' energy: -157.214 flat angles C4'-P-C4' energy: -135.495 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -89.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1232.988526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.988526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.988526 (E_RNA) where: Base-Base interactions energy: -732.249 where: short stacking energy: -371.071 Base-Backbone interact. energy: 0.843 local terms energy: -501.582724 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -134.723 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -70.297 tors. eta vs tors. theta energy: -54.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -813.520509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.520509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.520509 (E_RNA) where: Base-Base interactions energy: -387.737 where: short stacking energy: -258.360 Base-Backbone interact. energy: -1.833 local terms energy: -423.950424 where: bonds (distance) C4'-P energy: -135.117 bonds (distance) P-C4' energy: -125.769 flat angles C4'-P-C4' energy: -94.866 flat angles P-C4'-P energy: -70.619 tors. eta vs tors. theta energy: 2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -692.899900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.899900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.899900 (E_RNA) where: Base-Base interactions energy: -278.080 where: short stacking energy: -189.568 Base-Backbone interact. energy: 7.692 local terms energy: -422.512345 where: bonds (distance) C4'-P energy: -137.054 bonds (distance) P-C4' energy: -139.198 flat angles C4'-P-C4' energy: -117.845 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: 32.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2880.694184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.694184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.694184 (E_RNA) where: Base-Base interactions energy: -1980.504 where: short stacking energy: -814.010 Base-Backbone interact. energy: -4.066 local terms energy: -896.124019 where: bonds (distance) C4'-P energy: -177.833 bonds (distance) P-C4' energy: -166.199 flat angles C4'-P-C4' energy: -197.290 flat angles P-C4'-P energy: -110.510 tors. eta vs tors. theta energy: -244.292 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: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2788.841648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.841648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.841648 (E_RNA) where: Base-Base interactions energy: -1896.309 where: short stacking energy: -845.020 Base-Backbone interact. energy: -3.536 local terms energy: -888.996846 where: bonds (distance) C4'-P energy: -154.273 bonds (distance) P-C4' energy: -158.900 flat angles C4'-P-C4' energy: -184.268 flat angles P-C4'-P energy: -123.697 tors. eta vs tors. theta energy: -267.859 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: 360 Temperature: 1.000000 Total energy: -2741.271009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.271009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.271009 (E_RNA) where: Base-Base interactions energy: -1895.570 where: short stacking energy: -800.424 Base-Backbone interact. energy: -1.461 local terms energy: -844.240144 where: bonds (distance) C4'-P energy: -164.802 bonds (distance) P-C4' energy: -152.113 flat angles C4'-P-C4' energy: -175.925 flat angles P-C4'-P energy: -117.646 tors. eta vs tors. theta energy: -233.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2612.081404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.081404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.081404 (E_RNA) where: Base-Base interactions energy: -1798.641 where: short stacking energy: -749.131 Base-Backbone interact. energy: -0.460 local terms energy: -812.980250 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -156.236 flat angles C4'-P-C4' energy: -180.995 flat angles P-C4'-P energy: -114.173 tors. eta vs tors. theta energy: -214.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2381.831951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.831951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.831951 (E_RNA) where: Base-Base interactions energy: -1633.497 where: short stacking energy: -635.186 Base-Backbone interact. energy: -1.046 local terms energy: -747.288890 where: bonds (distance) C4'-P energy: -155.914 bonds (distance) P-C4' energy: -140.509 flat angles C4'-P-C4' energy: -161.558 flat angles P-C4'-P energy: -120.986 tors. eta vs tors. theta energy: -168.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2154.046549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.046549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.046549 (E_RNA) where: Base-Base interactions energy: -1430.554 where: short stacking energy: -605.572 Base-Backbone interact. energy: -3.743 local terms energy: -719.749380 where: bonds (distance) C4'-P energy: -146.402 bonds (distance) P-C4' energy: -147.466 flat angles C4'-P-C4' energy: -157.496 flat angles P-C4'-P energy: -109.160 tors. eta vs tors. theta energy: -159.226 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: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1858.044307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.044307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.044307 (E_RNA) where: Base-Base interactions energy: -1188.306 where: short stacking energy: -532.025 Base-Backbone interact. energy: 1.720 local terms energy: -671.458144 where: bonds (distance) C4'-P energy: -143.719 bonds (distance) P-C4' energy: -142.137 flat angles C4'-P-C4' energy: -149.851 flat angles P-C4'-P energy: -99.861 tors. eta vs tors. theta energy: -135.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1180.674082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.674082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.674082 (E_RNA) where: Base-Base interactions energy: -693.285 where: short stacking energy: -337.350 Base-Backbone interact. energy: -3.160 local terms energy: -484.229051 where: bonds (distance) C4'-P energy: -127.757 bonds (distance) P-C4' energy: -129.455 flat angles C4'-P-C4' energy: -118.186 flat angles P-C4'-P energy: -80.066 tors. eta vs tors. theta energy: -28.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -772.073854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.073854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.073854 (E_RNA) where: Base-Base interactions energy: -340.506 where: short stacking energy: -237.274 Base-Backbone interact. energy: -0.940 local terms energy: -430.628080 where: bonds (distance) C4'-P energy: -103.159 bonds (distance) P-C4' energy: -137.196 flat angles C4'-P-C4' energy: -124.927 flat angles P-C4'-P energy: -78.226 tors. eta vs tors. theta energy: 12.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -748.596260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.596260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.596260 (E_RNA) where: Base-Base interactions energy: -329.138 where: short stacking energy: -212.909 Base-Backbone interact. energy: -2.626 local terms energy: -416.831684 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -134.090 flat angles C4'-P-C4' energy: -119.079 flat angles P-C4'-P energy: -60.296 tors. eta vs tors. theta energy: 1.619 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: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2896.218571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.218571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.218571 (E_RNA) where: Base-Base interactions energy: -2031.783 where: short stacking energy: -818.301 Base-Backbone interact. energy: 0.442 local terms energy: -864.877879 where: bonds (distance) C4'-P energy: -161.501 bonds (distance) P-C4' energy: -148.770 flat angles C4'-P-C4' energy: -176.786 flat angles P-C4'-P energy: -122.069 tors. eta vs tors. theta energy: -255.752 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: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2787.528456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.528456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.528456 (E_RNA) where: Base-Base interactions energy: -1920.398 where: short stacking energy: -811.328 Base-Backbone interact. energy: 1.082 local terms energy: -868.212468 where: bonds (distance) C4'-P energy: -158.197 bonds (distance) P-C4' energy: -146.959 flat angles C4'-P-C4' energy: -199.867 flat angles P-C4'-P energy: -120.678 tors. eta vs tors. theta energy: -242.511 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: 361 Temperature: 1.000000 Total energy: -2691.263457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.263457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.263457 (E_RNA) where: Base-Base interactions energy: -1894.851 where: short stacking energy: -805.424 Base-Backbone interact. energy: -0.821 local terms energy: -795.591600 where: bonds (distance) C4'-P energy: -155.493 bonds (distance) P-C4' energy: -134.150 flat angles C4'-P-C4' energy: -179.474 flat angles P-C4'-P energy: -102.324 tors. eta vs tors. theta energy: -224.150 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: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2620.005177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.005177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.005177 (E_RNA) where: Base-Base interactions energy: -1838.172 where: short stacking energy: -760.897 Base-Backbone interact. energy: -0.821 local terms energy: -781.012324 where: bonds (distance) C4'-P energy: -156.498 bonds (distance) P-C4' energy: -152.056 flat angles C4'-P-C4' energy: -163.344 flat angles P-C4'-P energy: -100.010 tors. eta vs tors. theta energy: -209.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2366.968738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.968738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.968738 (E_RNA) where: Base-Base interactions energy: -1632.496 where: short stacking energy: -678.358 Base-Backbone interact. energy: 0.628 local terms energy: -735.100113 where: bonds (distance) C4'-P energy: -161.844 bonds (distance) P-C4' energy: -138.569 flat angles C4'-P-C4' energy: -156.822 flat angles P-C4'-P energy: -101.222 tors. eta vs tors. theta energy: -176.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2071.455095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.455095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.455095 (E_RNA) where: Base-Base interactions energy: -1400.550 where: short stacking energy: -576.917 Base-Backbone interact. energy: -1.236 local terms energy: -669.668539 where: bonds (distance) C4'-P energy: -107.711 bonds (distance) P-C4' energy: -136.780 flat angles C4'-P-C4' energy: -167.122 flat angles P-C4'-P energy: -107.993 tors. eta vs tors. theta energy: -150.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1884.648630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.648630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.648630 (E_RNA) where: Base-Base interactions energy: -1258.650 where: short stacking energy: -546.813 Base-Backbone interact. energy: 9.262 local terms energy: -635.260854 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -163.291 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -110.462 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: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1166.109212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.109212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.109212 (E_RNA) where: Base-Base interactions energy: -658.120 where: short stacking energy: -328.939 Base-Backbone interact. energy: -2.406 local terms energy: -505.583288 where: bonds (distance) C4'-P energy: -135.057 bonds (distance) P-C4' energy: -136.748 flat angles C4'-P-C4' energy: -124.272 flat angles P-C4'-P energy: -75.113 tors. eta vs tors. theta energy: -34.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -875.058945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.058945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.058945 (E_RNA) where: Base-Base interactions energy: -394.148 where: short stacking energy: -244.795 Base-Backbone interact. energy: 4.874 local terms energy: -485.784469 where: bonds (distance) C4'-P energy: -134.277 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -119.100 flat angles P-C4'-P energy: -85.720 tors. eta vs tors. theta energy: -12.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -753.806432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.806432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.806432 (E_RNA) where: Base-Base interactions energy: -321.667 where: short stacking energy: -195.332 Base-Backbone interact. energy: 6.724 local terms energy: -438.863390 where: bonds (distance) C4'-P energy: -141.394 bonds (distance) P-C4' energy: -139.506 flat angles C4'-P-C4' energy: -112.941 flat angles P-C4'-P energy: -67.062 tors. eta vs tors. theta energy: 22.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2864.790077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.790077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.790077 (E_RNA) where: Base-Base interactions energy: -1982.980 where: short stacking energy: -798.303 Base-Backbone interact. energy: -1.501 local terms energy: -880.309306 where: bonds (distance) C4'-P energy: -156.919 bonds (distance) P-C4' energy: -165.750 flat angles C4'-P-C4' energy: -192.878 flat angles P-C4'-P energy: -118.063 tors. eta vs tors. theta energy: -246.699 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: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2789.192458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.192458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.192458 (E_RNA) where: Base-Base interactions energy: -1942.004 where: short stacking energy: -835.978 Base-Backbone interact. energy: -4.623 local terms energy: -842.565602 where: bonds (distance) C4'-P energy: -135.846 bonds (distance) P-C4' energy: -157.746 flat angles C4'-P-C4' energy: -173.842 flat angles P-C4'-P energy: -119.029 tors. eta vs tors. theta energy: -256.103 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: 362 Temperature: 1.000000 Total energy: -2733.527069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.527069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.527069 (E_RNA) where: Base-Base interactions energy: -1892.366 where: short stacking energy: -777.601 Base-Backbone interact. energy: -3.349 local terms energy: -837.812602 where: bonds (distance) C4'-P energy: -146.029 bonds (distance) P-C4' energy: -164.873 flat angles C4'-P-C4' energy: -173.411 flat angles P-C4'-P energy: -117.959 tors. eta vs tors. theta energy: -235.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2563.801101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.801101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.801101 (E_RNA) where: Base-Base interactions energy: -1759.506 where: short stacking energy: -750.177 Base-Backbone interact. energy: -5.286 local terms energy: -799.008861 where: bonds (distance) C4'-P energy: -150.478 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -177.596 flat angles P-C4'-P energy: -106.746 tors. eta vs tors. theta energy: -218.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2400.378156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.378156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.378156 (E_RNA) where: Base-Base interactions energy: -1657.309 where: short stacking energy: -676.887 Base-Backbone interact. energy: -1.641 local terms energy: -741.427938 where: bonds (distance) C4'-P energy: -141.794 bonds (distance) P-C4' energy: -153.975 flat angles C4'-P-C4' energy: -161.511 flat angles P-C4'-P energy: -108.436 tors. eta vs tors. theta energy: -175.711 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: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2083.536438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.536438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.536438 (E_RNA) where: Base-Base interactions energy: -1410.498 where: short stacking energy: -578.708 Base-Backbone interact. energy: -2.651 local terms energy: -670.387960 where: bonds (distance) C4'-P energy: -135.720 bonds (distance) P-C4' energy: -134.526 flat angles C4'-P-C4' energy: -137.494 flat angles P-C4'-P energy: -117.338 tors. eta vs tors. theta energy: -145.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1741.788870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.788870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.788870 (E_RNA) where: Base-Base interactions energy: -1146.348 where: short stacking energy: -501.220 Base-Backbone interact. energy: 3.986 local terms energy: -599.427235 where: bonds (distance) C4'-P energy: -131.830 bonds (distance) P-C4' energy: -142.720 flat angles C4'-P-C4' energy: -132.944 flat angles P-C4'-P energy: -86.366 tors. eta vs tors. theta energy: -105.568 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: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1206.160898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.160898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.160898 (E_RNA) where: Base-Base interactions energy: -662.689 where: short stacking energy: -324.485 Base-Backbone interact. energy: -7.606 local terms energy: -535.866557 where: bonds (distance) C4'-P energy: -146.888 bonds (distance) P-C4' energy: -147.653 flat angles C4'-P-C4' energy: -120.794 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -43.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -835.264443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.264443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.264443 (E_RNA) where: Base-Base interactions energy: -397.746 where: short stacking energy: -244.305 Base-Backbone interact. energy: -0.566 local terms energy: -436.952161 where: bonds (distance) C4'-P energy: -143.296 bonds (distance) P-C4' energy: -133.120 flat angles C4'-P-C4' energy: -121.954 flat angles P-C4'-P energy: -51.609 tors. eta vs tors. theta energy: 13.028 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: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -712.865969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.865969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.865969 (E_RNA) where: Base-Base interactions energy: -290.557 where: short stacking energy: -191.692 Base-Backbone interact. energy: 8.446 local terms energy: -430.755308 where: bonds (distance) C4'-P energy: -147.370 bonds (distance) P-C4' energy: -130.412 flat angles C4'-P-C4' energy: -106.657 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: 28.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2908.155862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.155862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.155862 (E_RNA) where: Base-Base interactions energy: -2035.698 where: short stacking energy: -827.742 Base-Backbone interact. energy: -2.775 local terms energy: -869.683052 where: bonds (distance) C4'-P energy: -159.305 bonds (distance) P-C4' energy: -174.766 flat angles C4'-P-C4' energy: -170.717 flat angles P-C4'-P energy: -114.794 tors. eta vs tors. theta energy: -250.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2845.661774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.661774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.661774 (E_RNA) where: Base-Base interactions energy: -1980.926 where: short stacking energy: -852.250 Base-Backbone interact. energy: -0.602 local terms energy: -864.133474 where: bonds (distance) C4'-P energy: -171.293 bonds (distance) P-C4' energy: -153.171 flat angles C4'-P-C4' energy: -192.313 flat angles P-C4'-P energy: -116.922 tors. eta vs tors. theta energy: -230.434 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: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2718.375300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.375300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.375300 (E_RNA) where: Base-Base interactions energy: -1830.999 where: short stacking energy: -779.289 Base-Backbone interact. energy: 0.477 local terms energy: -887.852731 where: bonds (distance) C4'-P energy: -171.685 bonds (distance) P-C4' energy: -164.747 flat angles C4'-P-C4' energy: -181.182 flat angles P-C4'-P energy: -122.008 tors. eta vs tors. theta energy: -248.230 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: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2580.586167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.586167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.586167 (E_RNA) where: Base-Base interactions energy: -1790.364 where: short stacking energy: -763.968 Base-Backbone interact. energy: -0.507 local terms energy: -789.714403 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -151.531 flat angles C4'-P-C4' energy: -171.861 flat angles P-C4'-P energy: -106.534 tors. eta vs tors. theta energy: -217.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2398.404522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.404522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.404522 (E_RNA) where: Base-Base interactions energy: -1699.213 where: short stacking energy: -655.432 Base-Backbone interact. energy: -0.097 local terms energy: -699.094790 where: bonds (distance) C4'-P energy: -148.964 bonds (distance) P-C4' energy: -135.735 flat angles C4'-P-C4' energy: -164.736 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: -170.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2123.248447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.248447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.248447 (E_RNA) where: Base-Base interactions energy: -1423.219 where: short stacking energy: -621.509 Base-Backbone interact. energy: 1.059 local terms energy: -701.087838 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -149.551 flat angles C4'-P-C4' energy: -164.975 flat angles P-C4'-P energy: -106.729 tors. eta vs tors. theta energy: -154.705 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: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1722.129535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.129535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.129535 (E_RNA) where: Base-Base interactions energy: -1100.405 where: short stacking energy: -475.568 Base-Backbone interact. energy: -1.134 local terms energy: -620.590606 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -144.648 flat angles C4'-P-C4' energy: -132.191 flat angles P-C4'-P energy: -86.221 tors. eta vs tors. theta energy: -115.507 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: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1269.321755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.321755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.321755 (E_RNA) where: Base-Base interactions energy: -753.555 where: short stacking energy: -317.775 Base-Backbone interact. energy: 6.911 local terms energy: -522.676898 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -142.516 flat angles C4'-P-C4' energy: -122.604 flat angles P-C4'-P energy: -79.160 tors. eta vs tors. theta energy: -47.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -845.632755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.632755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.632755 (E_RNA) where: Base-Base interactions energy: -383.378 where: short stacking energy: -258.926 Base-Backbone interact. energy: 1.581 local terms energy: -463.836070 where: bonds (distance) C4'-P energy: -114.007 bonds (distance) P-C4' energy: -129.802 flat angles C4'-P-C4' energy: -137.129 flat angles P-C4'-P energy: -73.242 tors. eta vs tors. theta energy: -9.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -738.793768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.793768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.793768 (E_RNA) where: Base-Base interactions energy: -296.636 where: short stacking energy: -173.951 Base-Backbone interact. energy: 1.133 local terms energy: -443.290780 where: bonds (distance) C4'-P energy: -134.486 bonds (distance) P-C4' energy: -140.556 flat angles C4'-P-C4' energy: -118.398 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: 13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2931.314528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.314528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.314528 (E_RNA) where: Base-Base interactions energy: -2050.237 where: short stacking energy: -837.603 Base-Backbone interact. energy: 8.569 local terms energy: -889.646344 where: bonds (distance) C4'-P energy: -163.084 bonds (distance) P-C4' energy: -174.523 flat angles C4'-P-C4' energy: -186.849 flat angles P-C4'-P energy: -127.112 tors. eta vs tors. theta energy: -238.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2822.642688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.642688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.642688 (E_RNA) where: Base-Base interactions energy: -1938.437 where: short stacking energy: -798.672 Base-Backbone interact. energy: 1.448 local terms energy: -885.652949 where: bonds (distance) C4'-P energy: -153.535 bonds (distance) P-C4' energy: -163.946 flat angles C4'-P-C4' energy: -192.001 flat angles P-C4'-P energy: -139.275 tors. eta vs tors. theta energy: -236.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2651.711861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.711861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.711861 (E_RNA) where: Base-Base interactions energy: -1800.466 where: short stacking energy: -759.690 Base-Backbone interact. energy: -1.765 local terms energy: -849.480618 where: bonds (distance) C4'-P energy: -175.248 bonds (distance) P-C4' energy: -153.683 flat angles C4'-P-C4' energy: -187.299 flat angles P-C4'-P energy: -108.278 tors. eta vs tors. theta energy: -224.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2548.679220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.679220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.679220 (E_RNA) where: Base-Base interactions energy: -1747.910 where: short stacking energy: -728.920 Base-Backbone interact. energy: 0.961 local terms energy: -801.729663 where: bonds (distance) C4'-P energy: -151.156 bonds (distance) P-C4' energy: -163.198 flat angles C4'-P-C4' energy: -179.844 flat angles P-C4'-P energy: -100.581 tors. eta vs tors. theta energy: -206.951 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: 364 Temperature: 1.100000 Total energy: -2419.141054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.141054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.141054 (E_RNA) where: Base-Base interactions energy: -1678.273 where: short stacking energy: -680.553 Base-Backbone interact. energy: 8.016 local terms energy: -748.884077 where: bonds (distance) C4'-P energy: -146.234 bonds (distance) P-C4' energy: -154.786 flat angles C4'-P-C4' energy: -163.286 flat angles P-C4'-P energy: -110.180 tors. eta vs tors. theta energy: -174.399 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: 364 Temperature: 1.150000 Total energy: -2074.525986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.525986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.525986 (E_RNA) where: Base-Base interactions energy: -1454.181 where: short stacking energy: -624.679 Base-Backbone interact. energy: -3.587 local terms energy: -616.757881 where: bonds (distance) C4'-P energy: -131.332 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -126.121 flat angles P-C4'-P energy: -81.037 tors. eta vs tors. theta energy: -155.187 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: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1808.451493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.451493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.451493 (E_RNA) where: Base-Base interactions energy: -1158.753 where: short stacking energy: -507.713 Base-Backbone interact. energy: -1.454 local terms energy: -648.244664 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -150.994 flat angles C4'-P-C4' energy: -145.847 flat angles P-C4'-P energy: -97.020 tors. eta vs tors. theta energy: -112.485 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: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1277.923745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.923745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.923745 (E_RNA) where: Base-Base interactions energy: -744.718 where: short stacking energy: -332.195 Base-Backbone interact. energy: 5.452 local terms energy: -538.657890 where: bonds (distance) C4'-P energy: -123.534 bonds (distance) P-C4' energy: -121.810 flat angles C4'-P-C4' energy: -144.834 flat angles P-C4'-P energy: -100.953 tors. eta vs tors. theta energy: -47.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -749.663124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.663124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.663124 (E_RNA) where: Base-Base interactions energy: -319.319 where: short stacking energy: -214.731 Base-Backbone interact. energy: -6.483 local terms energy: -423.861535 where: bonds (distance) C4'-P energy: -137.282 bonds (distance) P-C4' energy: -155.247 flat angles C4'-P-C4' energy: -99.841 flat angles P-C4'-P energy: -76.594 tors. eta vs tors. theta energy: 45.103 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: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -769.225910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.225910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.225910 (E_RNA) where: Base-Base interactions energy: -336.883 where: short stacking energy: -193.237 Base-Backbone interact. energy: 4.154 local terms energy: -436.497392 where: bonds (distance) C4'-P energy: -134.600 bonds (distance) P-C4' energy: -159.417 flat angles C4'-P-C4' energy: -97.437 flat angles P-C4'-P energy: -62.418 tors. eta vs tors. theta energy: 17.374 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2921.075469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.075469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.075469 (E_RNA) where: Base-Base interactions energy: -2019.791 where: short stacking energy: -832.291 Base-Backbone interact. energy: 4.400 local terms energy: -905.684293 where: bonds (distance) C4'-P energy: -168.885 bonds (distance) P-C4' energy: -175.858 flat angles C4'-P-C4' energy: -191.677 flat angles P-C4'-P energy: -128.764 tors. eta vs tors. theta energy: -240.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2857.426219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.426219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.426219 (E_RNA) where: Base-Base interactions energy: -1984.613 where: short stacking energy: -816.950 Base-Backbone interact. energy: -4.260 local terms energy: -868.553379 where: bonds (distance) C4'-P energy: -159.594 bonds (distance) P-C4' energy: -176.391 flat angles C4'-P-C4' energy: -164.733 flat angles P-C4'-P energy: -127.671 tors. eta vs tors. theta energy: -240.165 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: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2691.924407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.924407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.924407 (E_RNA) where: Base-Base interactions energy: -1859.289 where: short stacking energy: -774.376 Base-Backbone interact. energy: -5.026 local terms energy: -827.609411 where: bonds (distance) C4'-P energy: -131.830 bonds (distance) P-C4' energy: -152.927 flat angles C4'-P-C4' energy: -175.534 flat angles P-C4'-P energy: -123.771 tors. eta vs tors. theta energy: -243.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2569.994105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.994105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.994105 (E_RNA) where: Base-Base interactions energy: -1753.490 where: short stacking energy: -759.905 Base-Backbone interact. energy: -5.448 local terms energy: -811.056392 where: bonds (distance) C4'-P energy: -151.050 bonds (distance) P-C4' energy: -142.303 flat angles C4'-P-C4' energy: -185.796 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -220.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2468.076127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.076127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.076127 (E_RNA) where: Base-Base interactions energy: -1716.919 where: short stacking energy: -700.791 Base-Backbone interact. energy: -3.074 local terms energy: -748.082558 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -136.066 flat angles C4'-P-C4' energy: -165.402 flat angles P-C4'-P energy: -100.430 tors. eta vs tors. theta energy: -185.627 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: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2150.661754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.661754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.661754 (E_RNA) where: Base-Base interactions energy: -1472.184 where: short stacking energy: -640.210 Base-Backbone interact. energy: -4.044 local terms energy: -674.434269 where: bonds (distance) C4'-P energy: -141.080 bonds (distance) P-C4' energy: -135.525 flat angles C4'-P-C4' energy: -144.571 flat angles P-C4'-P energy: -96.713 tors. eta vs tors. theta energy: -156.545 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: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1853.229059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.229059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.229059 (E_RNA) where: Base-Base interactions energy: -1234.564 where: short stacking energy: -538.635 Base-Backbone interact. energy: 1.904 local terms energy: -620.569114 where: bonds (distance) C4'-P energy: -126.057 bonds (distance) P-C4' energy: -137.824 flat angles C4'-P-C4' energy: -154.598 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -113.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1232.264624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.264624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.264624 (E_RNA) where: Base-Base interactions energy: -704.861 where: short stacking energy: -325.477 Base-Backbone interact. energy: -1.493 local terms energy: -525.910396 where: bonds (distance) C4'-P energy: -133.673 bonds (distance) P-C4' energy: -145.194 flat angles C4'-P-C4' energy: -159.307 flat angles P-C4'-P energy: -72.992 tors. eta vs tors. theta energy: -14.743 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: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -762.663826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.663826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.663826 (E_RNA) where: Base-Base interactions energy: -322.571 where: short stacking energy: -221.231 Base-Backbone interact. energy: 1.887 local terms energy: -441.980128 where: bonds (distance) C4'-P energy: -128.124 bonds (distance) P-C4' energy: -123.580 flat angles C4'-P-C4' energy: -113.281 flat angles P-C4'-P energy: -86.999 tors. eta vs tors. theta energy: 10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -845.393948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.393948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.393948 (E_RNA) where: Base-Base interactions energy: -401.772 where: short stacking energy: -228.804 Base-Backbone interact. energy: 2.442 local terms energy: -446.064241 where: bonds (distance) C4'-P energy: -117.603 bonds (distance) P-C4' energy: -130.091 flat angles C4'-P-C4' energy: -122.065 flat angles P-C4'-P energy: -79.080 tors. eta vs tors. theta energy: 2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2878.932536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.932536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.932536 (E_RNA) where: Base-Base interactions energy: -1993.452 where: short stacking energy: -814.871 Base-Backbone interact. energy: -1.062 local terms energy: -884.418464 where: bonds (distance) C4'-P energy: -183.613 bonds (distance) P-C4' energy: -155.783 flat angles C4'-P-C4' energy: -178.311 flat angles P-C4'-P energy: -118.199 tors. eta vs tors. theta energy: -248.513 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: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2842.831666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.831666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.831666 (E_RNA) where: Base-Base interactions energy: -1998.043 where: short stacking energy: -816.104 Base-Backbone interact. energy: -4.007 local terms energy: -840.781322 where: bonds (distance) C4'-P energy: -159.915 bonds (distance) P-C4' energy: -156.519 flat angles C4'-P-C4' energy: -180.564 flat angles P-C4'-P energy: -105.798 tors. eta vs tors. theta energy: -237.985 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: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2682.403723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.403723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.403723 (E_RNA) where: Base-Base interactions energy: -1865.876 where: short stacking energy: -777.174 Base-Backbone interact. energy: -7.149 local terms energy: -809.378833 where: bonds (distance) C4'-P energy: -139.701 bonds (distance) P-C4' energy: -150.465 flat angles C4'-P-C4' energy: -186.649 flat angles P-C4'-P energy: -98.433 tors. eta vs tors. theta energy: -234.131 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: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2566.613569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.613569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.613569 (E_RNA) where: Base-Base interactions energy: -1760.938 where: short stacking energy: -720.430 Base-Backbone interact. energy: 2.759 local terms energy: -808.435093 where: bonds (distance) C4'-P energy: -153.424 bonds (distance) P-C4' energy: -161.648 flat angles C4'-P-C4' energy: -154.572 flat angles P-C4'-P energy: -116.104 tors. eta vs tors. theta energy: -222.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2468.144773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.144773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.144773 (E_RNA) where: Base-Base interactions energy: -1707.421 where: short stacking energy: -680.142 Base-Backbone interact. energy: -1.329 local terms energy: -759.394714 where: bonds (distance) C4'-P energy: -153.666 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -159.745 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -192.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2109.963578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.963578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.963578 (E_RNA) where: Base-Base interactions energy: -1416.034 where: short stacking energy: -594.875 Base-Backbone interact. energy: -3.330 local terms energy: -690.599971 where: bonds (distance) C4'-P energy: -116.033 bonds (distance) P-C4' energy: -137.356 flat angles C4'-P-C4' energy: -166.255 flat angles P-C4'-P energy: -96.521 tors. eta vs tors. theta energy: -174.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1764.811053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.811053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.811053 (E_RNA) where: Base-Base interactions energy: -1148.041 where: short stacking energy: -497.848 Base-Backbone interact. energy: -1.188 local terms energy: -615.581636 where: bonds (distance) C4'-P energy: -119.153 bonds (distance) P-C4' energy: -134.040 flat angles C4'-P-C4' energy: -159.901 flat angles P-C4'-P energy: -95.379 tors. eta vs tors. theta energy: -107.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1227.820025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.820025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.820025 (E_RNA) where: Base-Base interactions energy: -682.806 where: short stacking energy: -385.187 Base-Backbone interact. energy: 1.603 local terms energy: -546.617002 where: bonds (distance) C4'-P energy: -141.959 bonds (distance) P-C4' energy: -148.541 flat angles C4'-P-C4' energy: -115.194 flat angles P-C4'-P energy: -84.082 tors. eta vs tors. theta energy: -56.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -877.462684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.462684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.462684 (E_RNA) where: Base-Base interactions energy: -426.213 where: short stacking energy: -235.365 Base-Backbone interact. energy: 2.540 local terms energy: -453.789869 where: bonds (distance) C4'-P energy: -136.209 bonds (distance) P-C4' energy: -129.290 flat angles C4'-P-C4' energy: -129.484 flat angles P-C4'-P energy: -64.732 tors. eta vs tors. theta energy: 5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -718.689801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.689801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.689801 (E_RNA) where: Base-Base interactions energy: -274.813 where: short stacking energy: -172.142 Base-Backbone interact. energy: -0.113 local terms energy: -443.764017 where: bonds (distance) C4'-P energy: -138.592 bonds (distance) P-C4' energy: -147.291 flat angles C4'-P-C4' energy: -104.339 flat angles P-C4'-P energy: -89.485 tors. eta vs tors. theta energy: 35.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2892.201623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.201623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.201623 (E_RNA) where: Base-Base interactions energy: -2024.186 where: short stacking energy: -837.552 Base-Backbone interact. energy: -5.360 local terms energy: -862.655618 where: bonds (distance) C4'-P energy: -146.868 bonds (distance) P-C4' energy: -145.773 flat angles C4'-P-C4' energy: -196.573 flat angles P-C4'-P energy: -121.892 tors. eta vs tors. theta energy: -251.550 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: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2783.215518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.215518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.215518 (E_RNA) where: Base-Base interactions energy: -1923.478 where: short stacking energy: -802.691 Base-Backbone interact. energy: -3.884 local terms energy: -855.854039 where: bonds (distance) C4'-P energy: -152.552 bonds (distance) P-C4' energy: -156.096 flat angles C4'-P-C4' energy: -177.829 flat angles P-C4'-P energy: -124.821 tors. eta vs tors. theta energy: -244.557 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: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2712.108743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.108743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.108743 (E_RNA) where: Base-Base interactions energy: -1841.597 where: short stacking energy: -778.304 Base-Backbone interact. energy: -2.101 local terms energy: -868.410830 where: bonds (distance) C4'-P energy: -157.478 bonds (distance) P-C4' energy: -181.595 flat angles C4'-P-C4' energy: -174.094 flat angles P-C4'-P energy: -113.933 tors. eta vs tors. theta energy: -241.310 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: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2655.914263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.914263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.914263 (E_RNA) where: Base-Base interactions energy: -1826.683 where: short stacking energy: -738.580 Base-Backbone interact. energy: -2.955 local terms energy: -826.276561 where: bonds (distance) C4'-P energy: -146.303 bonds (distance) P-C4' energy: -159.948 flat angles C4'-P-C4' energy: -172.810 flat angles P-C4'-P energy: -125.086 tors. eta vs tors. theta energy: -222.131 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: 367 Temperature: 1.100000 Total energy: -2431.572898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.572898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.572898 (E_RNA) where: Base-Base interactions energy: -1714.419 where: short stacking energy: -674.939 Base-Backbone interact. energy: 3.031 local terms energy: -720.184918 where: bonds (distance) C4'-P energy: -130.393 bonds (distance) P-C4' energy: -151.165 flat angles C4'-P-C4' energy: -165.564 flat angles P-C4'-P energy: -91.051 tors. eta vs tors. theta energy: -182.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2002.333140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.333140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.333140 (E_RNA) where: Base-Base interactions energy: -1324.074 where: short stacking energy: -576.744 Base-Backbone interact. energy: -3.173 local terms energy: -675.085792 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -136.057 flat angles C4'-P-C4' energy: -158.425 flat angles P-C4'-P energy: -95.687 tors. eta vs tors. theta energy: -144.439 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: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1866.056898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.056898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.056898 (E_RNA) where: Base-Base interactions energy: -1232.268 where: short stacking energy: -532.929 Base-Backbone interact. energy: -3.853 local terms energy: -629.936211 where: bonds (distance) C4'-P energy: -150.557 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -143.003 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -118.359 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: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1220.606156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.606156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.606156 (E_RNA) where: Base-Base interactions energy: -686.928 where: short stacking energy: -355.554 Base-Backbone interact. energy: -2.609 local terms energy: -531.068981 where: bonds (distance) C4'-P energy: -136.169 bonds (distance) P-C4' energy: -122.520 flat angles C4'-P-C4' energy: -140.411 flat angles P-C4'-P energy: -84.024 tors. eta vs tors. theta energy: -47.945 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: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -929.612229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.612229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.612229 (E_RNA) where: Base-Base interactions energy: -455.768 where: short stacking energy: -279.254 Base-Backbone interact. energy: 5.767 local terms energy: -479.611019 where: bonds (distance) C4'-P energy: -131.592 bonds (distance) P-C4' energy: -142.165 flat angles C4'-P-C4' energy: -115.002 flat angles P-C4'-P energy: -69.946 tors. eta vs tors. theta energy: -20.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -720.251470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.251470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.251470 (E_RNA) where: Base-Base interactions energy: -306.502 where: short stacking energy: -201.911 Base-Backbone interact. energy: 3.670 local terms energy: -417.419701 where: bonds (distance) C4'-P energy: -138.959 bonds (distance) P-C4' energy: -134.675 flat angles C4'-P-C4' energy: -97.487 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: 22.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2911.987434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.987434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.987434 (E_RNA) where: Base-Base interactions energy: -2023.696 where: short stacking energy: -856.420 Base-Backbone interact. energy: -7.827 local terms energy: -880.464290 where: bonds (distance) C4'-P energy: -163.466 bonds (distance) P-C4' energy: -169.593 flat angles C4'-P-C4' energy: -189.940 flat angles P-C4'-P energy: -116.836 tors. eta vs tors. theta energy: -240.628 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: 368 Temperature: 0.950000 Total energy: -2833.452327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.452327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.452327 (E_RNA) where: Base-Base interactions energy: -1945.196 where: short stacking energy: -800.836 Base-Backbone interact. energy: -3.076 local terms energy: -885.179781 where: bonds (distance) C4'-P energy: -169.827 bonds (distance) P-C4' energy: -163.048 flat angles C4'-P-C4' energy: -181.876 flat angles P-C4'-P energy: -118.449 tors. eta vs tors. theta energy: -251.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2691.998951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.998951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.998951 (E_RNA) where: Base-Base interactions energy: -1851.300 where: short stacking energy: -781.746 Base-Backbone interact. energy: -2.418 local terms energy: -838.280223 where: bonds (distance) C4'-P energy: -155.056 bonds (distance) P-C4' energy: -160.177 flat angles C4'-P-C4' energy: -182.394 flat angles P-C4'-P energy: -101.549 tors. eta vs tors. theta energy: -239.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2638.419194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.419194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.419194 (E_RNA) where: Base-Base interactions energy: -1802.899 where: short stacking energy: -778.030 Base-Backbone interact. energy: -1.861 local terms energy: -833.659434 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -157.618 flat angles C4'-P-C4' energy: -179.694 flat angles P-C4'-P energy: -125.232 tors. eta vs tors. theta energy: -221.199 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: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2469.113514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.113514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.113514 (E_RNA) where: Base-Base interactions energy: -1686.569 where: short stacking energy: -676.218 Base-Backbone interact. energy: -3.330 local terms energy: -779.215243 where: bonds (distance) C4'-P energy: -146.487 bonds (distance) P-C4' energy: -165.321 flat angles C4'-P-C4' energy: -167.163 flat angles P-C4'-P energy: -113.142 tors. eta vs tors. theta energy: -187.103 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: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2098.702156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.702156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.702156 (E_RNA) where: Base-Base interactions energy: -1412.386 where: short stacking energy: -614.343 Base-Backbone interact. energy: -0.733 local terms energy: -685.583627 where: bonds (distance) C4'-P energy: -126.698 bonds (distance) P-C4' energy: -137.388 flat angles C4'-P-C4' energy: -166.942 flat angles P-C4'-P energy: -100.101 tors. eta vs tors. theta energy: -154.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1840.233073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.233073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.233073 (E_RNA) where: Base-Base interactions energy: -1202.575 where: short stacking energy: -495.921 Base-Backbone interact. energy: -1.168 local terms energy: -636.490365 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -144.681 flat angles C4'-P-C4' energy: -155.406 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -105.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1243.173092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.173092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.173092 (E_RNA) where: Base-Base interactions energy: -749.608 where: short stacking energy: -364.113 Base-Backbone interact. energy: 1.628 local terms energy: -495.193188 where: bonds (distance) C4'-P energy: -118.468 bonds (distance) P-C4' energy: -127.761 flat angles C4'-P-C4' energy: -134.303 flat angles P-C4'-P energy: -73.970 tors. eta vs tors. theta energy: -40.691 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: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1046.611521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.611521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.611521 (E_RNA) where: Base-Base interactions energy: -542.297 where: short stacking energy: -287.430 Base-Backbone interact. energy: 0.000 local terms energy: -504.315216 where: bonds (distance) C4'-P energy: -134.236 bonds (distance) P-C4' energy: -145.502 flat angles C4'-P-C4' energy: -132.910 flat angles P-C4'-P energy: -76.978 tors. eta vs tors. theta energy: -14.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -715.758644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.758644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.758644 (E_RNA) where: Base-Base interactions energy: -313.751 where: short stacking energy: -195.753 Base-Backbone interact. energy: -3.469 local terms energy: -398.538709 where: bonds (distance) C4'-P energy: -130.819 bonds (distance) P-C4' energy: -131.279 flat angles C4'-P-C4' energy: -86.799 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: 20.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2911.009102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.009102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.009102 (E_RNA) where: Base-Base interactions energy: -2022.552 where: short stacking energy: -848.903 Base-Backbone interact. energy: -0.487 local terms energy: -887.969740 where: bonds (distance) C4'-P energy: -159.914 bonds (distance) P-C4' energy: -167.929 flat angles C4'-P-C4' energy: -179.221 flat angles P-C4'-P energy: -131.547 tors. eta vs tors. theta energy: -249.359 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: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2819.589523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.589523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.589523 (E_RNA) where: Base-Base interactions energy: -1958.377 where: short stacking energy: -820.541 Base-Backbone interact. energy: -3.589 local terms energy: -857.623806 where: bonds (distance) C4'-P energy: -144.300 bonds (distance) P-C4' energy: -161.974 flat angles C4'-P-C4' energy: -195.710 flat angles P-C4'-P energy: -119.265 tors. eta vs tors. theta energy: -236.375 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2656.567621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.567621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.567621 (E_RNA) where: Base-Base interactions energy: -1817.236 where: short stacking energy: -749.890 Base-Backbone interact. energy: -2.936 local terms energy: -836.395042 where: bonds (distance) C4'-P energy: -153.998 bonds (distance) P-C4' energy: -153.396 flat angles C4'-P-C4' energy: -177.677 flat angles P-C4'-P energy: -125.131 tors. eta vs tors. theta energy: -226.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2588.707830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.707830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.707830 (E_RNA) where: Base-Base interactions energy: -1783.111 where: short stacking energy: -742.943 Base-Backbone interact. energy: 3.241 local terms energy: -808.838014 where: bonds (distance) C4'-P energy: -151.596 bonds (distance) P-C4' energy: -155.694 flat angles C4'-P-C4' energy: -176.928 flat angles P-C4'-P energy: -115.447 tors. eta vs tors. theta energy: -209.173 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: 369 Temperature: 1.100000 Total energy: -2420.435637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.435637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.435637 (E_RNA) where: Base-Base interactions energy: -1661.954 where: short stacking energy: -665.586 Base-Backbone interact. energy: -0.551 local terms energy: -757.930613 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -143.756 flat angles C4'-P-C4' energy: -168.693 flat angles P-C4'-P energy: -107.136 tors. eta vs tors. theta energy: -198.606 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: 6, replica: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2127.315420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.315420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.315420 (E_RNA) where: Base-Base interactions energy: -1429.453 where: short stacking energy: -597.778 Base-Backbone interact. energy: -2.032 local terms energy: -695.830443 where: bonds (distance) C4'-P energy: -151.402 bonds (distance) P-C4' energy: -146.220 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -98.827 tors. eta vs tors. theta energy: -147.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1821.912975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.912975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.912975 (E_RNA) where: Base-Base interactions energy: -1194.686 where: short stacking energy: -525.616 Base-Backbone interact. energy: -1.514 local terms energy: -625.713580 where: bonds (distance) C4'-P energy: -142.935 bonds (distance) P-C4' energy: -128.894 flat angles C4'-P-C4' energy: -137.154 flat angles P-C4'-P energy: -95.769 tors. eta vs tors. theta energy: -120.961 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: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1271.976281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.976281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.976281 (E_RNA) where: Base-Base interactions energy: -748.838 where: short stacking energy: -363.420 Base-Backbone interact. energy: -3.032 local terms energy: -520.106566 where: bonds (distance) C4'-P energy: -124.919 bonds (distance) P-C4' energy: -135.058 flat angles C4'-P-C4' energy: -124.148 flat angles P-C4'-P energy: -92.957 tors. eta vs tors. theta energy: -43.024 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -977.028017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.028017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.028017 (E_RNA) where: Base-Base interactions energy: -500.233 where: short stacking energy: -282.296 Base-Backbone interact. energy: -4.450 local terms energy: -472.345333 where: bonds (distance) C4'-P energy: -129.037 bonds (distance) P-C4' energy: -150.881 flat angles C4'-P-C4' energy: -126.941 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: -14.299 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: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -724.379445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.379445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.379445 (E_RNA) where: Base-Base interactions energy: -292.637 where: short stacking energy: -215.258 Base-Backbone interact. energy: 0.130 local terms energy: -431.872687 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -140.729 flat angles C4'-P-C4' energy: -112.731 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: 11.595 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: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2886.719683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.719683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.719683 (E_RNA) where: Base-Base interactions energy: -2001.779 where: short stacking energy: -830.936 Base-Backbone interact. energy: -4.405 local terms energy: -880.534906 where: bonds (distance) C4'-P energy: -174.446 bonds (distance) P-C4' energy: -157.077 flat angles C4'-P-C4' energy: -187.296 flat angles P-C4'-P energy: -122.673 tors. eta vs tors. theta energy: -239.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2820.799843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.799843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.799843 (E_RNA) where: Base-Base interactions energy: -1936.583 where: short stacking energy: -814.909 Base-Backbone interact. energy: 3.517 local terms energy: -887.733499 where: bonds (distance) C4'-P energy: -147.031 bonds (distance) P-C4' energy: -185.405 flat angles C4'-P-C4' energy: -183.412 flat angles P-C4'-P energy: -122.879 tors. eta vs tors. theta energy: -249.007 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: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2661.556684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.556684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.556684 (E_RNA) where: Base-Base interactions energy: -1821.175 where: short stacking energy: -761.161 Base-Backbone interact. energy: -2.329 local terms energy: -838.052445 where: bonds (distance) C4'-P energy: -163.435 bonds (distance) P-C4' energy: -159.389 flat angles C4'-P-C4' energy: -170.236 flat angles P-C4'-P energy: -117.882 tors. eta vs tors. theta energy: -227.110 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: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2559.797326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.797326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.797326 (E_RNA) where: Base-Base interactions energy: -1767.258 where: short stacking energy: -734.629 Base-Backbone interact. energy: -0.437 local terms energy: -792.102484 where: bonds (distance) C4'-P energy: -164.408 bonds (distance) P-C4' energy: -152.254 flat angles C4'-P-C4' energy: -173.631 flat angles P-C4'-P energy: -99.969 tors. eta vs tors. theta energy: -201.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2432.757588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.757588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.757588 (E_RNA) where: Base-Base interactions energy: -1701.032 where: short stacking energy: -663.674 Base-Backbone interact. energy: -3.754 local terms energy: -727.970939 where: bonds (distance) C4'-P energy: -136.338 bonds (distance) P-C4' energy: -141.777 flat angles C4'-P-C4' energy: -173.680 flat angles P-C4'-P energy: -90.338 tors. eta vs tors. theta energy: -185.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2178.767558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.767558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.767558 (E_RNA) where: Base-Base interactions energy: -1424.753 where: short stacking energy: -631.791 Base-Backbone interact. energy: -2.738 local terms energy: -751.276636 where: bonds (distance) C4'-P energy: -134.944 bonds (distance) P-C4' energy: -151.969 flat angles C4'-P-C4' energy: -170.230 flat angles P-C4'-P energy: -112.908 tors. eta vs tors. theta energy: -181.226 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: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1833.018502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.018502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.018502 (E_RNA) where: Base-Base interactions energy: -1215.409 where: short stacking energy: -519.331 Base-Backbone interact. energy: -4.654 local terms energy: -612.954715 where: bonds (distance) C4'-P energy: -140.865 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -152.669 flat angles P-C4'-P energy: -67.231 tors. eta vs tors. theta energy: -104.984 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: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1234.343780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.343780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.343780 (E_RNA) where: Base-Base interactions energy: -691.807 where: short stacking energy: -335.337 Base-Backbone interact. energy: -1.008 local terms energy: -541.528573 where: bonds (distance) C4'-P energy: -134.547 bonds (distance) P-C4' energy: -138.123 flat angles C4'-P-C4' energy: -151.391 flat angles P-C4'-P energy: -66.828 tors. eta vs tors. theta energy: -50.640 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: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -920.622115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.622115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.622115 (E_RNA) where: Base-Base interactions energy: -468.306 where: short stacking energy: -283.029 Base-Backbone interact. energy: 3.093 local terms energy: -455.408859 where: bonds (distance) C4'-P energy: -127.004 bonds (distance) P-C4' energy: -137.486 flat angles C4'-P-C4' energy: -126.039 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -4.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -783.191693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.191693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.191693 (E_RNA) where: Base-Base interactions energy: -352.574 where: short stacking energy: -203.254 Base-Backbone interact. energy: -1.804 local terms energy: -428.813535 where: bonds (distance) C4'-P energy: -116.822 bonds (distance) P-C4' energy: -130.351 flat angles C4'-P-C4' energy: -118.063 flat angles P-C4'-P energy: -70.123 tors. eta vs tors. theta energy: 6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2869.959138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.959138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.959138 (E_RNA) where: Base-Base interactions energy: -1981.212 where: short stacking energy: -829.474 Base-Backbone interact. energy: -0.730 local terms energy: -888.018034 where: bonds (distance) C4'-P energy: -150.673 bonds (distance) P-C4' energy: -174.447 flat angles C4'-P-C4' energy: -192.902 flat angles P-C4'-P energy: -123.870 tors. eta vs tors. theta energy: -246.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2891.292104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.292104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.292104 (E_RNA) where: Base-Base interactions energy: -2024.814 where: short stacking energy: -841.399 Base-Backbone interact. energy: -0.058 local terms energy: -866.419688 where: bonds (distance) C4'-P energy: -156.420 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -177.133 flat angles P-C4'-P energy: -116.927 tors. eta vs tors. theta energy: -255.561 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: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2654.541186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.541186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.541186 (E_RNA) where: Base-Base interactions energy: -1809.078 where: short stacking energy: -763.247 Base-Backbone interact. energy: -4.613 local terms energy: -840.849359 where: bonds (distance) C4'-P energy: -153.154 bonds (distance) P-C4' energy: -153.189 flat angles C4'-P-C4' energy: -182.149 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -239.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2555.351397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.351397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.351397 (E_RNA) where: Base-Base interactions energy: -1767.596 where: short stacking energy: -737.605 Base-Backbone interact. energy: 0.264 local terms energy: -788.019469 where: bonds (distance) C4'-P energy: -134.192 bonds (distance) P-C4' energy: -162.285 flat angles C4'-P-C4' energy: -158.861 flat angles P-C4'-P energy: -131.626 tors. eta vs tors. theta energy: -201.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2401.272614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.272614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.272614 (E_RNA) where: Base-Base interactions energy: -1680.442 where: short stacking energy: -686.199 Base-Backbone interact. energy: -2.793 local terms energy: -718.037588 where: bonds (distance) C4'-P energy: -125.985 bonds (distance) P-C4' energy: -149.465 flat angles C4'-P-C4' energy: -164.106 flat angles P-C4'-P energy: -103.300 tors. eta vs tors. theta energy: -175.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2195.758383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.758383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.758383 (E_RNA) where: Base-Base interactions energy: -1460.497 where: short stacking energy: -625.368 Base-Backbone interact. energy: 1.599 local terms energy: -736.861227 where: bonds (distance) C4'-P energy: -139.738 bonds (distance) P-C4' energy: -150.424 flat angles C4'-P-C4' energy: -162.077 flat angles P-C4'-P energy: -112.295 tors. eta vs tors. theta energy: -172.327 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: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1797.854030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.854030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.854030 (E_RNA) where: Base-Base interactions energy: -1186.001 where: short stacking energy: -498.058 Base-Backbone interact. energy: -3.332 local terms energy: -608.521496 where: bonds (distance) C4'-P energy: -127.930 bonds (distance) P-C4' energy: -136.723 flat angles C4'-P-C4' energy: -136.283 flat angles P-C4'-P energy: -93.780 tors. eta vs tors. theta energy: -113.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1219.888954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.888954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.888954 (E_RNA) where: Base-Base interactions energy: -713.594 where: short stacking energy: -355.289 Base-Backbone interact. energy: 8.107 local terms energy: -514.402198 where: bonds (distance) C4'-P energy: -124.145 bonds (distance) P-C4' energy: -131.516 flat angles C4'-P-C4' energy: -123.449 flat angles P-C4'-P energy: -82.202 tors. eta vs tors. theta energy: -53.090 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: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -930.608123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.608123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.608123 (E_RNA) where: Base-Base interactions energy: -476.482 where: short stacking energy: -264.751 Base-Backbone interact. energy: 1.139 local terms energy: -455.265781 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -120.921 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: 13.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -831.767767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.767767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.767767 (E_RNA) where: Base-Base interactions energy: -411.041 where: short stacking energy: -225.589 Base-Backbone interact. energy: 1.948 local terms energy: -422.675122 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -131.263 flat angles C4'-P-C4' energy: -127.859 flat angles P-C4'-P energy: -72.796 tors. eta vs tors. theta energy: 27.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2931.791307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.791307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.791307 (E_RNA) where: Base-Base interactions energy: -2012.619 where: short stacking energy: -861.374 Base-Backbone interact. energy: 0.362 local terms energy: -919.534335 where: bonds (distance) C4'-P energy: -167.609 bonds (distance) P-C4' energy: -176.547 flat angles C4'-P-C4' energy: -182.230 flat angles P-C4'-P energy: -134.607 tors. eta vs tors. theta energy: -258.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2873.583184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.583184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.583184 (E_RNA) where: Base-Base interactions energy: -1993.011 where: short stacking energy: -837.614 Base-Backbone interact. energy: -1.044 local terms energy: -879.528167 where: bonds (distance) C4'-P energy: -156.136 bonds (distance) P-C4' energy: -159.734 flat angles C4'-P-C4' energy: -196.427 flat angles P-C4'-P energy: -121.387 tors. eta vs tors. theta energy: -245.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2719.137434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.137434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.137434 (E_RNA) where: Base-Base interactions energy: -1875.345 where: short stacking energy: -791.390 Base-Backbone interact. energy: -2.163 local terms energy: -841.629042 where: bonds (distance) C4'-P energy: -164.601 bonds (distance) P-C4' energy: -153.314 flat angles C4'-P-C4' energy: -163.624 flat angles P-C4'-P energy: -114.058 tors. eta vs tors. theta energy: -246.032 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: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2581.243151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.243151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.243151 (E_RNA) where: Base-Base interactions energy: -1770.783 where: short stacking energy: -751.265 Base-Backbone interact. energy: 0.021 local terms energy: -810.481188 where: bonds (distance) C4'-P energy: -147.473 bonds (distance) P-C4' energy: -155.220 flat angles C4'-P-C4' energy: -169.932 flat angles P-C4'-P energy: -125.362 tors. eta vs tors. theta energy: -212.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2455.373900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.373900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.373900 (E_RNA) where: Base-Base interactions energy: -1716.102 where: short stacking energy: -676.413 Base-Backbone interact. energy: 0.533 local terms energy: -739.804517 where: bonds (distance) C4'-P energy: -140.699 bonds (distance) P-C4' energy: -145.492 flat angles C4'-P-C4' energy: -154.039 flat angles P-C4'-P energy: -107.976 tors. eta vs tors. theta energy: -191.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2162.062575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.062575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.062575 (E_RNA) where: Base-Base interactions energy: -1430.356 where: short stacking energy: -626.730 Base-Backbone interact. energy: -1.498 local terms energy: -730.208320 where: bonds (distance) C4'-P energy: -139.769 bonds (distance) P-C4' energy: -156.889 flat angles C4'-P-C4' energy: -163.749 flat angles P-C4'-P energy: -107.340 tors. eta vs tors. theta energy: -162.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1811.177501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.177501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.177501 (E_RNA) where: Base-Base interactions energy: -1177.382 where: short stacking energy: -499.804 Base-Backbone interact. energy: 0.727 local terms energy: -634.522666 where: bonds (distance) C4'-P energy: -160.574 bonds (distance) P-C4' energy: -145.011 flat angles C4'-P-C4' energy: -147.935 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -102.572 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: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1167.279417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.279417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.279417 (E_RNA) where: Base-Base interactions energy: -659.211 where: short stacking energy: -357.213 Base-Backbone interact. energy: 0.663 local terms energy: -508.731180 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -141.234 flat angles C4'-P-C4' energy: -134.165 flat angles P-C4'-P energy: -66.281 tors. eta vs tors. theta energy: -47.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -828.189821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.189821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.189821 (E_RNA) where: Base-Base interactions energy: -382.826 where: short stacking energy: -229.408 Base-Backbone interact. energy: -0.610 local terms energy: -444.753534 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -129.737 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: 16.274 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -904.584238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.584238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.584238 (E_RNA) where: Base-Base interactions energy: -460.701 where: short stacking energy: -261.830 Base-Backbone interact. energy: 3.987 local terms energy: -447.870158 where: bonds (distance) C4'-P energy: -130.893 bonds (distance) P-C4' energy: -125.129 flat angles C4'-P-C4' energy: -133.395 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: 1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2891.068609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.068609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.068609 (E_RNA) where: Base-Base interactions energy: -1989.925 where: short stacking energy: -844.868 Base-Backbone interact. energy: 1.901 local terms energy: -903.044728 where: bonds (distance) C4'-P energy: -153.882 bonds (distance) P-C4' energy: -172.944 flat angles C4'-P-C4' energy: -197.657 flat angles P-C4'-P energy: -123.778 tors. eta vs tors. theta energy: -254.783 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: 373 Temperature: 0.950000 Total energy: -2864.842337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.842337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.842337 (E_RNA) where: Base-Base interactions energy: -1993.632 where: short stacking energy: -827.122 Base-Backbone interact. energy: -1.166 local terms energy: -870.044675 where: bonds (distance) C4'-P energy: -152.151 bonds (distance) P-C4' energy: -161.451 flat angles C4'-P-C4' energy: -183.001 flat angles P-C4'-P energy: -118.701 tors. eta vs tors. theta energy: -254.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2709.265388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.265388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.265388 (E_RNA) where: Base-Base interactions energy: -1860.249 where: short stacking energy: -803.655 Base-Backbone interact. energy: -2.528 local terms energy: -846.488395 where: bonds (distance) C4'-P energy: -145.998 bonds (distance) P-C4' energy: -153.163 flat angles C4'-P-C4' energy: -183.298 flat angles P-C4'-P energy: -115.241 tors. eta vs tors. theta energy: -248.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2505.369040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.369040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.369040 (E_RNA) where: Base-Base interactions energy: -1710.471 where: short stacking energy: -718.166 Base-Backbone interact. energy: -0.309 local terms energy: -794.588889 where: bonds (distance) C4'-P energy: -146.048 bonds (distance) P-C4' energy: -155.496 flat angles C4'-P-C4' energy: -177.497 flat angles P-C4'-P energy: -107.300 tors. eta vs tors. theta energy: -208.247 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: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2504.572029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.572029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.572029 (E_RNA) where: Base-Base interactions energy: -1730.006 where: short stacking energy: -718.614 Base-Backbone interact. energy: 4.266 local terms energy: -778.832793 where: bonds (distance) C4'-P energy: -153.316 bonds (distance) P-C4' energy: -148.253 flat angles C4'-P-C4' energy: -156.413 flat angles P-C4'-P energy: -121.507 tors. eta vs tors. theta energy: -199.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2129.933471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.933471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.933471 (E_RNA) where: Base-Base interactions energy: -1439.416 where: short stacking energy: -615.050 Base-Backbone interact. energy: -3.586 local terms energy: -686.930596 where: bonds (distance) C4'-P energy: -121.079 bonds (distance) P-C4' energy: -141.666 flat angles C4'-P-C4' energy: -152.566 flat angles P-C4'-P energy: -104.745 tors. eta vs tors. theta energy: -166.875 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1904.753313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.753313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.753313 (E_RNA) where: Base-Base interactions energy: -1264.465 where: short stacking energy: -544.201 Base-Backbone interact. energy: -0.728 local terms energy: -639.559904 where: bonds (distance) C4'-P energy: -124.276 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -83.606 tors. eta vs tors. theta energy: -141.733 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: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1166.279040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.279040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.279040 (E_RNA) where: Base-Base interactions energy: -647.114 where: short stacking energy: -325.712 Base-Backbone interact. energy: -2.119 local terms energy: -517.046139 where: bonds (distance) C4'-P energy: -128.076 bonds (distance) P-C4' energy: -163.775 flat angles C4'-P-C4' energy: -116.978 flat angles P-C4'-P energy: -77.273 tors. eta vs tors. theta energy: -30.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -952.629819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.629819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.629819 (E_RNA) where: Base-Base interactions energy: -479.586 where: short stacking energy: -280.938 Base-Backbone interact. energy: 4.339 local terms energy: -477.382244 where: bonds (distance) C4'-P energy: -134.359 bonds (distance) P-C4' energy: -139.656 flat angles C4'-P-C4' energy: -103.164 flat angles P-C4'-P energy: -65.903 tors. eta vs tors. theta energy: -34.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -833.785536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.785536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.785536 (E_RNA) where: Base-Base interactions energy: -407.810 where: short stacking energy: -205.777 Base-Backbone interact. energy: 4.754 local terms energy: -430.729350 where: bonds (distance) C4'-P energy: -119.133 bonds (distance) P-C4' energy: -133.148 flat angles C4'-P-C4' energy: -125.724 flat angles P-C4'-P energy: -66.422 tors. eta vs tors. theta energy: 13.697 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: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2879.607024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.607024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.607024 (E_RNA) where: Base-Base interactions energy: -1973.439 where: short stacking energy: -842.254 Base-Backbone interact. energy: -5.112 local terms energy: -901.055711 where: bonds (distance) C4'-P energy: -155.377 bonds (distance) P-C4' energy: -179.117 flat angles C4'-P-C4' energy: -186.627 flat angles P-C4'-P energy: -127.623 tors. eta vs tors. theta energy: -252.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2860.540576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.540576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.540576 (E_RNA) where: Base-Base interactions energy: -1969.952 where: short stacking energy: -806.611 Base-Backbone interact. energy: -2.524 local terms energy: -888.063920 where: bonds (distance) C4'-P energy: -177.359 bonds (distance) P-C4' energy: -168.916 flat angles C4'-P-C4' energy: -171.340 flat angles P-C4'-P energy: -127.750 tors. eta vs tors. theta energy: -242.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2726.864845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.864845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.864845 (E_RNA) where: Base-Base interactions energy: -1842.764 where: short stacking energy: -808.089 Base-Backbone interact. energy: -1.329 local terms energy: -882.771299 where: bonds (distance) C4'-P energy: -155.716 bonds (distance) P-C4' energy: -166.797 flat angles C4'-P-C4' energy: -181.231 flat angles P-C4'-P energy: -137.505 tors. eta vs tors. theta energy: -241.521 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: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2514.669417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.669417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.669417 (E_RNA) where: Base-Base interactions energy: -1725.787 where: short stacking energy: -710.714 Base-Backbone interact. energy: -3.440 local terms energy: -785.442316 where: bonds (distance) C4'-P energy: -146.577 bonds (distance) P-C4' energy: -137.708 flat angles C4'-P-C4' energy: -178.844 flat angles P-C4'-P energy: -115.315 tors. eta vs tors. theta energy: -206.999 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: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2472.410877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.410877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.410877 (E_RNA) where: Base-Base interactions energy: -1688.905 where: short stacking energy: -699.537 Base-Backbone interact. energy: -2.510 local terms energy: -780.995524 where: bonds (distance) C4'-P energy: -151.179 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -166.683 flat angles P-C4'-P energy: -117.042 tors. eta vs tors. theta energy: -192.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2025.730531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.730531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.730531 (E_RNA) where: Base-Base interactions energy: -1350.088 where: short stacking energy: -574.837 Base-Backbone interact. energy: -0.287 local terms energy: -675.355143 where: bonds (distance) C4'-P energy: -142.203 bonds (distance) P-C4' energy: -143.682 flat angles C4'-P-C4' energy: -159.516 flat angles P-C4'-P energy: -78.387 tors. eta vs tors. theta energy: -151.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1900.135342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.135342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.135342 (E_RNA) where: Base-Base interactions energy: -1270.938 where: short stacking energy: -551.999 Base-Backbone interact. energy: -3.250 local terms energy: -625.947650 where: bonds (distance) C4'-P energy: -136.273 bonds (distance) P-C4' energy: -126.758 flat angles C4'-P-C4' energy: -145.663 flat angles P-C4'-P energy: -87.688 tors. eta vs tors. theta energy: -129.566 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: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1088.897681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.897681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.897681 (E_RNA) where: Base-Base interactions energy: -583.326 where: short stacking energy: -311.428 Base-Backbone interact. energy: -0.758 local terms energy: -504.813898 where: bonds (distance) C4'-P energy: -114.909 bonds (distance) P-C4' energy: -138.555 flat angles C4'-P-C4' energy: -123.095 flat angles P-C4'-P energy: -95.242 tors. eta vs tors. theta energy: -33.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -935.102371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.102371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.102371 (E_RNA) where: Base-Base interactions energy: -480.558 where: short stacking energy: -273.905 Base-Backbone interact. energy: 9.811 local terms energy: -464.355693 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -125.487 flat angles C4'-P-C4' energy: -131.379 flat angles P-C4'-P energy: -88.351 tors. eta vs tors. theta energy: 1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -867.690357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.690357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.690357 (E_RNA) where: Base-Base interactions energy: -436.382 where: short stacking energy: -244.763 Base-Backbone interact. energy: -1.099 local terms energy: -430.209054 where: bonds (distance) C4'-P energy: -142.291 bonds (distance) P-C4' energy: -143.034 flat angles C4'-P-C4' energy: -94.398 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: 16.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2859.693174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.693174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.693174 (E_RNA) where: Base-Base interactions energy: -1962.411 where: short stacking energy: -830.406 Base-Backbone interact. energy: -5.401 local terms energy: -891.880514 where: bonds (distance) C4'-P energy: -154.885 bonds (distance) P-C4' energy: -168.007 flat angles C4'-P-C4' energy: -176.810 flat angles P-C4'-P energy: -140.991 tors. eta vs tors. theta energy: -251.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2892.197604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.197604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.197604 (E_RNA) where: Base-Base interactions energy: -2016.117 where: short stacking energy: -846.879 Base-Backbone interact. energy: -2.152 local terms energy: -873.928154 where: bonds (distance) C4'-P energy: -166.506 bonds (distance) P-C4' energy: -148.124 flat angles C4'-P-C4' energy: -185.790 flat angles P-C4'-P energy: -123.453 tors. eta vs tors. theta energy: -250.055 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: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2719.327314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.327314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.327314 (E_RNA) where: Base-Base interactions energy: -1861.600 where: short stacking energy: -797.779 Base-Backbone interact. energy: -3.203 local terms energy: -854.523772 where: bonds (distance) C4'-P energy: -156.597 bonds (distance) P-C4' energy: -163.427 flat angles C4'-P-C4' energy: -176.185 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -251.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2524.326799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.326799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.326799 (E_RNA) where: Base-Base interactions energy: -1756.072 where: short stacking energy: -716.255 Base-Backbone interact. energy: -4.099 local terms energy: -764.156402 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -132.369 flat angles C4'-P-C4' energy: -168.859 flat angles P-C4'-P energy: -118.307 tors. eta vs tors. theta energy: -200.099 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: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2558.490826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.490826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.490826 (E_RNA) where: Base-Base interactions energy: -1773.050 where: short stacking energy: -721.060 Base-Backbone interact. energy: -3.312 local terms energy: -782.128707 where: bonds (distance) C4'-P energy: -127.356 bonds (distance) P-C4' energy: -164.681 flat angles C4'-P-C4' energy: -167.660 flat angles P-C4'-P energy: -109.788 tors. eta vs tors. theta energy: -212.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1971.147376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.147376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.147376 (E_RNA) where: Base-Base interactions energy: -1298.014 where: short stacking energy: -545.885 Base-Backbone interact. energy: -0.900 local terms energy: -672.233203 where: bonds (distance) C4'-P energy: -150.293 bonds (distance) P-C4' energy: -144.213 flat angles C4'-P-C4' energy: -158.522 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -136.759 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2016.967188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.967188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.967188 (E_RNA) where: Base-Base interactions energy: -1363.904 where: short stacking energy: -585.010 Base-Backbone interact. energy: -2.762 local terms energy: -650.301694 where: bonds (distance) C4'-P energy: -151.591 bonds (distance) P-C4' energy: -129.338 flat angles C4'-P-C4' energy: -161.555 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -133.792 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: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1167.925981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.925981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.925981 (E_RNA) where: Base-Base interactions energy: -660.084 where: short stacking energy: -329.055 Base-Backbone interact. energy: 2.080 local terms energy: -509.922327 where: bonds (distance) C4'-P energy: -124.287 bonds (distance) P-C4' energy: -141.028 flat angles C4'-P-C4' energy: -128.376 flat angles P-C4'-P energy: -84.650 tors. eta vs tors. theta energy: -31.581 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: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -959.557589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.557589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.557589 (E_RNA) where: Base-Base interactions energy: -474.231 where: short stacking energy: -279.668 Base-Backbone interact. energy: 0.822 local terms energy: -486.148792 where: bonds (distance) C4'-P energy: -132.775 bonds (distance) P-C4' energy: -144.934 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: -21.715 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: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -817.826131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.826131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.826131 (E_RNA) where: Base-Base interactions energy: -395.754 where: short stacking energy: -213.666 Base-Backbone interact. energy: -2.969 local terms energy: -419.103218 where: bonds (distance) C4'-P energy: -121.361 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: 18.052 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2923.888034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.888034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.888034 (E_RNA) where: Base-Base interactions energy: -2011.914 where: short stacking energy: -873.393 Base-Backbone interact. energy: -1.546 local terms energy: -910.428308 where: bonds (distance) C4'-P energy: -164.290 bonds (distance) P-C4' energy: -168.148 flat angles C4'-P-C4' energy: -179.579 flat angles P-C4'-P energy: -139.263 tors. eta vs tors. theta energy: -259.149 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: 376 Temperature: 0.950000 Total energy: -2855.870131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.870131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.870131 (E_RNA) where: Base-Base interactions energy: -1988.892 where: short stacking energy: -836.597 Base-Backbone interact. energy: -2.772 local terms energy: -864.205862 where: bonds (distance) C4'-P energy: -151.768 bonds (distance) P-C4' energy: -149.358 flat angles C4'-P-C4' energy: -180.275 flat angles P-C4'-P energy: -126.753 tors. eta vs tors. theta energy: -256.052 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: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2692.491927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.491927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.491927 (E_RNA) where: Base-Base interactions energy: -1852.867 where: short stacking energy: -804.987 Base-Backbone interact. energy: -4.081 local terms energy: -835.544094 where: bonds (distance) C4'-P energy: -159.579 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -181.525 flat angles P-C4'-P energy: -113.134 tors. eta vs tors. theta energy: -241.020 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: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2567.891039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.891039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.891039 (E_RNA) where: Base-Base interactions energy: -1740.893 where: short stacking energy: -736.818 Base-Backbone interact. energy: -0.062 local terms energy: -826.935549 where: bonds (distance) C4'-P energy: -162.210 bonds (distance) P-C4' energy: -161.204 flat angles C4'-P-C4' energy: -181.567 flat angles P-C4'-P energy: -117.415 tors. eta vs tors. theta energy: -204.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2551.185501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.185501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.185501 (E_RNA) where: Base-Base interactions energy: -1777.053 where: short stacking energy: -750.228 Base-Backbone interact. energy: 0.603 local terms energy: -774.735531 where: bonds (distance) C4'-P energy: -142.035 bonds (distance) P-C4' energy: -134.222 flat angles C4'-P-C4' energy: -175.867 flat angles P-C4'-P energy: -103.005 tors. eta vs tors. theta energy: -219.606 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: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2004.505969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.505969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.505969 (E_RNA) where: Base-Base interactions energy: -1333.296 where: short stacking energy: -587.238 Base-Backbone interact. energy: -0.803 local terms energy: -670.407398 where: bonds (distance) C4'-P energy: -134.626 bonds (distance) P-C4' energy: -137.011 flat angles C4'-P-C4' energy: -164.925 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -144.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1943.238963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.238963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.238963 (E_RNA) where: Base-Base interactions energy: -1309.635 where: short stacking energy: -549.260 Base-Backbone interact. energy: -3.947 local terms energy: -629.656783 where: bonds (distance) C4'-P energy: -134.549 bonds (distance) P-C4' energy: -140.040 flat angles C4'-P-C4' energy: -127.629 flat angles P-C4'-P energy: -85.531 tors. eta vs tors. theta energy: -141.909 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: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1216.528741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.528741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.528741 (E_RNA) where: Base-Base interactions energy: -690.969 where: short stacking energy: -313.135 Base-Backbone interact. energy: 3.997 local terms energy: -529.555827 where: bonds (distance) C4'-P energy: -151.930 bonds (distance) P-C4' energy: -128.576 flat angles C4'-P-C4' energy: -138.066 flat angles P-C4'-P energy: -82.257 tors. eta vs tors. theta energy: -28.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -925.013765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.013765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.013765 (E_RNA) where: Base-Base interactions energy: -482.326 where: short stacking energy: -300.829 Base-Backbone interact. energy: -2.422 local terms energy: -440.266121 where: bonds (distance) C4'-P energy: -127.306 bonds (distance) P-C4' energy: -142.153 flat angles C4'-P-C4' energy: -115.931 flat angles P-C4'-P energy: -41.345 tors. eta vs tors. theta energy: -13.531 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: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -818.276494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.276494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.276494 (E_RNA) where: Base-Base interactions energy: -420.754 where: short stacking energy: -253.671 Base-Backbone interact. energy: 11.543 local terms energy: -409.066033 where: bonds (distance) C4'-P energy: -119.926 bonds (distance) P-C4' energy: -146.096 flat angles C4'-P-C4' energy: -94.076 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: 5.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2913.383674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.383674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.383674 (E_RNA) where: Base-Base interactions energy: -2019.452 where: short stacking energy: -841.218 Base-Backbone interact. energy: -3.969 local terms energy: -889.963355 where: bonds (distance) C4'-P energy: -166.739 bonds (distance) P-C4' energy: -156.819 flat angles C4'-P-C4' energy: -189.799 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -254.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2887.497554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.497554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.497554 (E_RNA) where: Base-Base interactions energy: -2017.096 where: short stacking energy: -821.746 Base-Backbone interact. energy: -0.709 local terms energy: -869.692485 where: bonds (distance) C4'-P energy: -161.698 bonds (distance) P-C4' energy: -154.737 flat angles C4'-P-C4' energy: -185.182 flat angles P-C4'-P energy: -116.034 tors. eta vs tors. theta energy: -252.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2689.479099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.479099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.479099 (E_RNA) where: Base-Base interactions energy: -1848.594 where: short stacking energy: -800.363 Base-Backbone interact. energy: -3.707 local terms energy: -837.178081 where: bonds (distance) C4'-P energy: -141.111 bonds (distance) P-C4' energy: -155.790 flat angles C4'-P-C4' energy: -182.240 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -243.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2523.232588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.232588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.232588 (E_RNA) where: Base-Base interactions energy: -1704.770 where: short stacking energy: -755.423 Base-Backbone interact. energy: -6.887 local terms energy: -811.574990 where: bonds (distance) C4'-P energy: -141.437 bonds (distance) P-C4' energy: -140.743 flat angles C4'-P-C4' energy: -173.266 flat angles P-C4'-P energy: -123.375 tors. eta vs tors. theta energy: -232.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2478.766418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.766418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.766418 (E_RNA) where: Base-Base interactions energy: -1707.538 where: short stacking energy: -716.297 Base-Backbone interact. energy: 1.298 local terms energy: -772.525557 where: bonds (distance) C4'-P energy: -148.657 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -175.528 flat angles P-C4'-P energy: -101.493 tors. eta vs tors. theta energy: -202.272 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: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2036.473626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.473626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.473626 (E_RNA) where: Base-Base interactions energy: -1331.633 where: short stacking energy: -567.205 Base-Backbone interact. energy: -2.886 local terms energy: -701.954719 where: bonds (distance) C4'-P energy: -154.834 bonds (distance) P-C4' energy: -157.418 flat angles C4'-P-C4' energy: -145.933 flat angles P-C4'-P energy: -96.433 tors. eta vs tors. theta energy: -147.337 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: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1900.151939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.151939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.151939 (E_RNA) where: Base-Base interactions energy: -1243.033 where: short stacking energy: -524.373 Base-Backbone interact. energy: -1.233 local terms energy: -655.886318 where: bonds (distance) C4'-P energy: -138.192 bonds (distance) P-C4' energy: -133.140 flat angles C4'-P-C4' energy: -143.591 flat angles P-C4'-P energy: -102.304 tors. eta vs tors. theta energy: -138.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1237.271313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.271313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.271313 (E_RNA) where: Base-Base interactions energy: -706.719 where: short stacking energy: -357.035 Base-Backbone interact. energy: 2.146 local terms energy: -532.698409 where: bonds (distance) C4'-P energy: -114.474 bonds (distance) P-C4' energy: -157.113 flat angles C4'-P-C4' energy: -121.583 flat angles P-C4'-P energy: -92.635 tors. eta vs tors. theta energy: -46.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -925.329646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.329646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.329646 (E_RNA) where: Base-Base interactions energy: -473.556 where: short stacking energy: -287.441 Base-Backbone interact. energy: 2.414 local terms energy: -454.187763 where: bonds (distance) C4'-P energy: -126.286 bonds (distance) P-C4' energy: -134.345 flat angles C4'-P-C4' energy: -132.214 flat angles P-C4'-P energy: -70.776 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: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -785.825288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.825288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.825288 (E_RNA) where: Base-Base interactions energy: -384.662 where: short stacking energy: -231.135 Base-Backbone interact. energy: 2.013 local terms energy: -403.176653 where: bonds (distance) C4'-P energy: -128.260 bonds (distance) P-C4' energy: -134.242 flat angles C4'-P-C4' energy: -116.210 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: 20.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2919.355325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.355325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.355325 (E_RNA) where: Base-Base interactions energy: -2022.161 where: short stacking energy: -824.979 Base-Backbone interact. energy: -3.465 local terms energy: -893.728766 where: bonds (distance) C4'-P energy: -166.094 bonds (distance) P-C4' energy: -165.387 flat angles C4'-P-C4' energy: -187.386 flat angles P-C4'-P energy: -135.761 tors. eta vs tors. theta energy: -239.102 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: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2881.145851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.145851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.145851 (E_RNA) where: Base-Base interactions energy: -1983.118 where: short stacking energy: -815.493 Base-Backbone interact. energy: -0.529 local terms energy: -897.498849 where: bonds (distance) C4'-P energy: -167.433 bonds (distance) P-C4' energy: -174.660 flat angles C4'-P-C4' energy: -170.781 flat angles P-C4'-P energy: -127.319 tors. eta vs tors. theta energy: -257.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2716.717647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.717647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.717647 (E_RNA) where: Base-Base interactions energy: -1852.141 where: short stacking energy: -786.156 Base-Backbone interact. energy: -1.774 local terms energy: -862.802625 where: bonds (distance) C4'-P energy: -153.582 bonds (distance) P-C4' energy: -166.380 flat angles C4'-P-C4' energy: -175.923 flat angles P-C4'-P energy: -123.174 tors. eta vs tors. theta energy: -243.743 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: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2564.643637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.643637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.643637 (E_RNA) where: Base-Base interactions energy: -1770.097 where: short stacking energy: -756.264 Base-Backbone interact. energy: -0.885 local terms energy: -793.661529 where: bonds (distance) C4'-P energy: -158.889 bonds (distance) P-C4' energy: -146.294 flat angles C4'-P-C4' energy: -165.867 flat angles P-C4'-P energy: -105.177 tors. eta vs tors. theta energy: -217.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2433.989997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.989997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.989997 (E_RNA) where: Base-Base interactions energy: -1675.924 where: short stacking energy: -663.812 Base-Backbone interact. energy: -2.505 local terms energy: -755.561197 where: bonds (distance) C4'-P energy: -135.447 bonds (distance) P-C4' energy: -162.791 flat angles C4'-P-C4' energy: -166.393 flat angles P-C4'-P energy: -102.081 tors. eta vs tors. theta energy: -188.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2013.336071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.336071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.336071 (E_RNA) where: Base-Base interactions energy: -1367.498 where: short stacking energy: -580.846 Base-Backbone interact. energy: -3.936 local terms energy: -641.902031 where: bonds (distance) C4'-P energy: -136.545 bonds (distance) P-C4' energy: -123.866 flat angles C4'-P-C4' energy: -144.577 flat angles P-C4'-P energy: -92.712 tors. eta vs tors. theta energy: -144.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1856.685723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.685723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.685723 (E_RNA) where: Base-Base interactions energy: -1226.416 where: short stacking energy: -507.580 Base-Backbone interact. energy: 1.890 local terms energy: -632.160164 where: bonds (distance) C4'-P energy: -138.128 bonds (distance) P-C4' energy: -144.293 flat angles C4'-P-C4' energy: -151.990 flat angles P-C4'-P energy: -85.738 tors. eta vs tors. theta energy: -112.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1239.874557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.874557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.874557 (E_RNA) where: Base-Base interactions energy: -731.792 where: short stacking energy: -351.845 Base-Backbone interact. energy: 0.019 local terms energy: -508.101916 where: bonds (distance) C4'-P energy: -124.318 bonds (distance) P-C4' energy: -146.290 flat angles C4'-P-C4' energy: -120.971 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -41.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -847.939481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.939481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.939481 (E_RNA) where: Base-Base interactions energy: -401.722 where: short stacking energy: -266.428 Base-Backbone interact. energy: 1.984 local terms energy: -448.201428 where: bonds (distance) C4'-P energy: -121.522 bonds (distance) P-C4' energy: -125.129 flat angles C4'-P-C4' energy: -114.338 flat angles P-C4'-P energy: -71.613 tors. eta vs tors. theta energy: -15.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -839.956555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.956555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.956555 (E_RNA) where: Base-Base interactions energy: -414.519 where: short stacking energy: -233.472 Base-Backbone interact. energy: 2.585 local terms energy: -428.022589 where: bonds (distance) C4'-P energy: -127.040 bonds (distance) P-C4' energy: -127.252 flat angles C4'-P-C4' energy: -121.496 flat angles P-C4'-P energy: -57.029 tors. eta vs tors. theta energy: 4.794 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: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2914.744211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.744211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.744211 (E_RNA) where: Base-Base interactions energy: -2003.975 where: short stacking energy: -831.239 Base-Backbone interact. energy: -1.677 local terms energy: -909.092426 where: bonds (distance) C4'-P energy: -165.654 bonds (distance) P-C4' energy: -170.480 flat angles C4'-P-C4' energy: -196.100 flat angles P-C4'-P energy: -131.799 tors. eta vs tors. theta energy: -245.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2840.615676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.615676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.615676 (E_RNA) where: Base-Base interactions energy: -1960.565 where: short stacking energy: -829.472 Base-Backbone interact. energy: 3.072 local terms energy: -883.122806 where: bonds (distance) C4'-P energy: -160.460 bonds (distance) P-C4' energy: -169.882 flat angles C4'-P-C4' energy: -174.603 flat angles P-C4'-P energy: -130.530 tors. eta vs tors. theta energy: -247.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2726.773675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.773675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.773675 (E_RNA) where: Base-Base interactions energy: -1867.367 where: short stacking energy: -806.269 Base-Backbone interact. energy: -2.872 local terms energy: -856.534595 where: bonds (distance) C4'-P energy: -141.482 bonds (distance) P-C4' energy: -164.131 flat angles C4'-P-C4' energy: -182.767 flat angles P-C4'-P energy: -125.390 tors. eta vs tors. theta energy: -242.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2592.859628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.859628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.859628 (E_RNA) where: Base-Base interactions energy: -1812.312 where: short stacking energy: -773.401 Base-Backbone interact. energy: -4.652 local terms energy: -775.895625 where: bonds (distance) C4'-P energy: -142.518 bonds (distance) P-C4' energy: -122.050 flat angles C4'-P-C4' energy: -172.704 flat angles P-C4'-P energy: -119.112 tors. eta vs tors. theta energy: -219.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2417.121345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.121345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.121345 (E_RNA) where: Base-Base interactions energy: -1646.998 where: short stacking energy: -670.431 Base-Backbone interact. energy: -3.109 local terms energy: -767.014398 where: bonds (distance) C4'-P energy: -143.421 bonds (distance) P-C4' energy: -152.380 flat angles C4'-P-C4' energy: -185.814 flat angles P-C4'-P energy: -91.743 tors. eta vs tors. theta energy: -193.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1955.931930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.931930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.931930 (E_RNA) where: Base-Base interactions energy: -1269.475 where: short stacking energy: -543.167 Base-Backbone interact. energy: 0.448 local terms energy: -686.904947 where: bonds (distance) C4'-P energy: -135.791 bonds (distance) P-C4' energy: -152.684 flat angles C4'-P-C4' energy: -148.511 flat angles P-C4'-P energy: -111.969 tors. eta vs tors. theta energy: -137.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2009.835644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.835644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.835644 (E_RNA) where: Base-Base interactions energy: -1298.462 where: short stacking energy: -581.100 Base-Backbone interact. energy: -3.698 local terms energy: -707.675747 where: bonds (distance) C4'-P energy: -135.425 bonds (distance) P-C4' energy: -144.430 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -159.038 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: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1260.255176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.255176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.255176 (E_RNA) where: Base-Base interactions energy: -694.425 where: short stacking energy: -366.677 Base-Backbone interact. energy: -3.535 local terms energy: -562.294976 where: bonds (distance) C4'-P energy: -133.435 bonds (distance) P-C4' energy: -145.151 flat angles C4'-P-C4' energy: -145.706 flat angles P-C4'-P energy: -81.070 tors. eta vs tors. theta energy: -56.933 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: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -870.094334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.094334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.094334 (E_RNA) where: Base-Base interactions energy: -418.969 where: short stacking energy: -269.853 Base-Backbone interact. energy: 1.276 local terms energy: -452.401270 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -136.236 flat angles C4'-P-C4' energy: -119.186 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -836.180574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.180574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.180574 (E_RNA) where: Base-Base interactions energy: -393.190 where: short stacking energy: -201.934 Base-Backbone interact. energy: -0.321 local terms energy: -442.669784 where: bonds (distance) C4'-P energy: -133.580 bonds (distance) P-C4' energy: -154.800 flat angles C4'-P-C4' energy: -125.881 flat angles P-C4'-P energy: -63.482 tors. eta vs tors. theta energy: 35.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2919.647579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.647579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.647579 (E_RNA) where: Base-Base interactions energy: -2008.799 where: short stacking energy: -861.152 Base-Backbone interact. energy: 1.102 local terms energy: -911.950065 where: bonds (distance) C4'-P energy: -162.849 bonds (distance) P-C4' energy: -172.308 flat angles C4'-P-C4' energy: -198.214 flat angles P-C4'-P energy: -130.316 tors. eta vs tors. theta energy: -248.263 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: 380 Temperature: 0.950000 Total energy: -2870.523428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.523428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.523428 (E_RNA) where: Base-Base interactions energy: -1992.297 where: short stacking energy: -826.075 Base-Backbone interact. energy: -0.837 local terms energy: -877.390123 where: bonds (distance) C4'-P energy: -146.833 bonds (distance) P-C4' energy: -176.676 flat angles C4'-P-C4' energy: -181.487 flat angles P-C4'-P energy: -128.178 tors. eta vs tors. theta energy: -244.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2717.946331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.946331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.946331 (E_RNA) where: Base-Base interactions energy: -1843.022 where: short stacking energy: -788.926 Base-Backbone interact. energy: -2.275 local terms energy: -872.649430 where: bonds (distance) C4'-P energy: -169.390 bonds (distance) P-C4' energy: -154.924 flat angles C4'-P-C4' energy: -187.911 flat angles P-C4'-P energy: -127.437 tors. eta vs tors. theta energy: -232.987 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: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2585.861600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.861600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.861600 (E_RNA) where: Base-Base interactions energy: -1806.456 where: short stacking energy: -757.330 Base-Backbone interact. energy: -0.569 local terms energy: -778.835889 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -148.186 flat angles C4'-P-C4' energy: -185.202 flat angles P-C4'-P energy: -106.051 tors. eta vs tors. theta energy: -220.281 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: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2415.645709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.645709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.645709 (E_RNA) where: Base-Base interactions energy: -1683.870 where: short stacking energy: -687.128 Base-Backbone interact. energy: -1.704 local terms energy: -730.072234 where: bonds (distance) C4'-P energy: -135.462 bonds (distance) P-C4' energy: -131.521 flat angles C4'-P-C4' energy: -164.986 flat angles P-C4'-P energy: -111.359 tors. eta vs tors. theta energy: -186.744 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: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2014.353873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.353873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.353873 (E_RNA) where: Base-Base interactions energy: -1319.642 where: short stacking energy: -578.189 Base-Backbone interact. energy: -3.224 local terms energy: -691.487186 where: bonds (distance) C4'-P energy: -140.607 bonds (distance) P-C4' energy: -136.258 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -110.272 tors. eta vs tors. theta energy: -162.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1967.116714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.116714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.116714 (E_RNA) where: Base-Base interactions energy: -1306.486 where: short stacking energy: -568.246 Base-Backbone interact. energy: -0.870 local terms energy: -659.760510 where: bonds (distance) C4'-P energy: -112.890 bonds (distance) P-C4' energy: -146.258 flat angles C4'-P-C4' energy: -168.159 flat angles P-C4'-P energy: -86.470 tors. eta vs tors. theta energy: -145.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1279.193365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.193365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.193365 (E_RNA) where: Base-Base interactions energy: -771.165 where: short stacking energy: -353.794 Base-Backbone interact. energy: 2.364 local terms energy: -510.392594 where: bonds (distance) C4'-P energy: -141.710 bonds (distance) P-C4' energy: -125.867 flat angles C4'-P-C4' energy: -118.827 flat angles P-C4'-P energy: -71.043 tors. eta vs tors. theta energy: -52.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -835.920029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.920029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.920029 (E_RNA) where: Base-Base interactions energy: -368.235 where: short stacking energy: -235.290 Base-Backbone interact. energy: -1.421 local terms energy: -466.263688 where: bonds (distance) C4'-P energy: -116.817 bonds (distance) P-C4' energy: -132.472 flat angles C4'-P-C4' energy: -116.143 flat angles P-C4'-P energy: -89.603 tors. eta vs tors. theta energy: -11.228 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: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -829.665821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.665821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.665821 (E_RNA) where: Base-Base interactions energy: -383.889 where: short stacking energy: -225.660 Base-Backbone interact. energy: -2.370 local terms energy: -443.406832 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -146.279 flat angles C4'-P-C4' energy: -112.884 flat angles P-C4'-P energy: -54.734 tors. eta vs tors. theta energy: 3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2886.849028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.849028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.849028 (E_RNA) where: Base-Base interactions energy: -1997.246 where: short stacking energy: -832.305 Base-Backbone interact. energy: -2.851 local terms energy: -886.751767 where: bonds (distance) C4'-P energy: -172.559 bonds (distance) P-C4' energy: -160.885 flat angles C4'-P-C4' energy: -186.871 flat angles P-C4'-P energy: -122.393 tors. eta vs tors. theta energy: -244.044 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: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2828.176151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.176151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.176151 (E_RNA) where: Base-Base interactions energy: -1961.144 where: short stacking energy: -821.605 Base-Backbone interact. energy: -2.817 local terms energy: -864.214908 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -163.598 flat angles C4'-P-C4' energy: -194.188 flat angles P-C4'-P energy: -119.990 tors. eta vs tors. theta energy: -241.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2746.983732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.983732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.983732 (E_RNA) where: Base-Base interactions energy: -1900.228 where: short stacking energy: -815.334 Base-Backbone interact. energy: -1.792 local terms energy: -844.962946 where: bonds (distance) C4'-P energy: -143.456 bonds (distance) P-C4' energy: -155.963 flat angles C4'-P-C4' energy: -188.981 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -247.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2545.509711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.509711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.509711 (E_RNA) where: Base-Base interactions energy: -1714.800 where: short stacking energy: -752.970 Base-Backbone interact. energy: 2.839 local terms energy: -833.548195 where: bonds (distance) C4'-P energy: -137.569 bonds (distance) P-C4' energy: -154.613 flat angles C4'-P-C4' energy: -185.999 flat angles P-C4'-P energy: -126.147 tors. eta vs tors. theta energy: -229.221 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: 381 Temperature: 1.100000 Total energy: -2460.037910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.037910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.037910 (E_RNA) where: Base-Base interactions energy: -1703.301 where: short stacking energy: -708.540 Base-Backbone interact. energy: -4.291 local terms energy: -752.445817 where: bonds (distance) C4'-P energy: -139.748 bonds (distance) P-C4' energy: -142.946 flat angles C4'-P-C4' energy: -175.087 flat angles P-C4'-P energy: -95.610 tors. eta vs tors. theta energy: -199.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1958.508121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.508121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.508121 (E_RNA) where: Base-Base interactions energy: -1294.062 where: short stacking energy: -551.982 Base-Backbone interact. energy: -1.675 local terms energy: -662.770968 where: bonds (distance) C4'-P energy: -153.529 bonds (distance) P-C4' energy: -116.447 flat angles C4'-P-C4' energy: -165.265 flat angles P-C4'-P energy: -93.729 tors. eta vs tors. theta energy: -133.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1916.733250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.733250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.733250 (E_RNA) where: Base-Base interactions energy: -1256.020 where: short stacking energy: -550.999 Base-Backbone interact. energy: -0.335 local terms energy: -660.377453 where: bonds (distance) C4'-P energy: -149.565 bonds (distance) P-C4' energy: -145.069 flat angles C4'-P-C4' energy: -141.281 flat angles P-C4'-P energy: -83.940 tors. eta vs tors. theta energy: -140.521 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: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1257.301446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.301446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.301446 (E_RNA) where: Base-Base interactions energy: -728.864 where: short stacking energy: -355.328 Base-Backbone interact. energy: -0.709 local terms energy: -527.728691 where: bonds (distance) C4'-P energy: -142.265 bonds (distance) P-C4' energy: -138.612 flat angles C4'-P-C4' energy: -118.304 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: -49.450 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: 381 Temperature: 1.300000 Total energy: -852.031436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.031436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.031436 (E_RNA) where: Base-Base interactions energy: -390.650 where: short stacking energy: -231.829 Base-Backbone interact. energy: 6.529 local terms energy: -467.910172 where: bonds (distance) C4'-P energy: -137.888 bonds (distance) P-C4' energy: -127.451 flat angles C4'-P-C4' energy: -142.966 flat angles P-C4'-P energy: -62.481 tors. eta vs tors. theta energy: 2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -836.324384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.324384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.324384 (E_RNA) where: Base-Base interactions energy: -397.885 where: short stacking energy: -225.700 Base-Backbone interact. energy: 0.661 local terms energy: -439.100582 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -120.409 flat angles C4'-P-C4' energy: -119.329 flat angles P-C4'-P energy: -61.317 tors. eta vs tors. theta energy: -6.264 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: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2915.242474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.242474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.242474 (E_RNA) where: Base-Base interactions energy: -2015.246 where: short stacking energy: -828.853 Base-Backbone interact. energy: -4.223 local terms energy: -895.773917 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -164.258 flat angles C4'-P-C4' energy: -194.273 flat angles P-C4'-P energy: -131.510 tors. eta vs tors. theta energy: -252.541 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: 382 Temperature: 0.950000 Total energy: -2844.180865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.180865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.180865 (E_RNA) where: Base-Base interactions energy: -2007.438 where: short stacking energy: -801.866 Base-Backbone interact. energy: -2.140 local terms energy: -834.602880 where: bonds (distance) C4'-P energy: -145.875 bonds (distance) P-C4' energy: -151.505 flat angles C4'-P-C4' energy: -172.098 flat angles P-C4'-P energy: -127.476 tors. eta vs tors. theta energy: -237.649 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2707.832406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.832406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.832406 (E_RNA) where: Base-Base interactions energy: -1889.188 where: short stacking energy: -776.266 Base-Backbone interact. energy: -1.227 local terms energy: -817.417106 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -145.574 flat angles C4'-P-C4' energy: -172.988 flat angles P-C4'-P energy: -119.573 tors. eta vs tors. theta energy: -228.869 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: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2541.229193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.229193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.229193 (E_RNA) where: Base-Base interactions energy: -1703.825 where: short stacking energy: -725.714 Base-Backbone interact. energy: -6.686 local terms energy: -830.718342 where: bonds (distance) C4'-P energy: -165.407 bonds (distance) P-C4' energy: -156.540 flat angles C4'-P-C4' energy: -177.777 flat angles P-C4'-P energy: -108.676 tors. eta vs tors. theta energy: -222.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2406.054619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.054619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.054619 (E_RNA) where: Base-Base interactions energy: -1656.275 where: short stacking energy: -695.074 Base-Backbone interact. energy: -2.751 local terms energy: -747.028785 where: bonds (distance) C4'-P energy: -125.537 bonds (distance) P-C4' energy: -144.340 flat angles C4'-P-C4' energy: -165.024 flat angles P-C4'-P energy: -111.293 tors. eta vs tors. theta energy: -200.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2001.041813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.041813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.041813 (E_RNA) where: Base-Base interactions energy: -1341.778 where: short stacking energy: -600.956 Base-Backbone interact. energy: -2.342 local terms energy: -656.921702 where: bonds (distance) C4'-P energy: -123.229 bonds (distance) P-C4' energy: -133.561 flat angles C4'-P-C4' energy: -150.661 flat angles P-C4'-P energy: -100.994 tors. eta vs tors. theta energy: -148.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2026.630805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.630805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.630805 (E_RNA) where: Base-Base interactions energy: -1356.959 where: short stacking energy: -590.694 Base-Backbone interact. energy: -2.006 local terms energy: -667.665965 where: bonds (distance) C4'-P energy: -135.967 bonds (distance) P-C4' energy: -141.494 flat angles C4'-P-C4' energy: -159.858 flat angles P-C4'-P energy: -85.571 tors. eta vs tors. theta energy: -144.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1218.630853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.630853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.630853 (E_RNA) where: Base-Base interactions energy: -715.125 where: short stacking energy: -349.835 Base-Backbone interact. energy: 1.701 local terms energy: -505.206285 where: bonds (distance) C4'-P energy: -127.364 bonds (distance) P-C4' energy: -137.421 flat angles C4'-P-C4' energy: -138.714 flat angles P-C4'-P energy: -71.086 tors. eta vs tors. theta energy: -30.621 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: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -886.805560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.805560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.805560 (E_RNA) where: Base-Base interactions energy: -420.833 where: short stacking energy: -264.431 Base-Backbone interact. energy: -1.599 local terms energy: -464.373886 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -123.646 flat angles C4'-P-C4' energy: -138.049 flat angles P-C4'-P energy: -65.449 tors. eta vs tors. theta energy: 8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -741.220311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.220311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.220311 (E_RNA) where: Base-Base interactions energy: -328.817 where: short stacking energy: -230.097 Base-Backbone interact. energy: 2.547 local terms energy: -414.950662 where: bonds (distance) C4'-P energy: -144.404 bonds (distance) P-C4' energy: -122.358 flat angles C4'-P-C4' energy: -101.395 flat angles P-C4'-P energy: -57.449 tors. eta vs tors. theta energy: 10.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2906.329193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.329193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.329193 (E_RNA) where: Base-Base interactions energy: -2037.315 where: short stacking energy: -812.338 Base-Backbone interact. energy: -2.286 local terms energy: -866.727985 where: bonds (distance) C4'-P energy: -156.411 bonds (distance) P-C4' energy: -164.324 flat angles C4'-P-C4' energy: -189.458 flat angles P-C4'-P energy: -120.926 tors. eta vs tors. theta energy: -235.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2862.231054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.231054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.231054 (E_RNA) where: Base-Base interactions energy: -1975.494 where: short stacking energy: -802.829 Base-Backbone interact. energy: -0.837 local terms energy: -885.900135 where: bonds (distance) C4'-P energy: -166.313 bonds (distance) P-C4' energy: -174.744 flat angles C4'-P-C4' energy: -190.019 flat angles P-C4'-P energy: -115.443 tors. eta vs tors. theta energy: -239.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2728.888461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.888461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.888461 (E_RNA) where: Base-Base interactions energy: -1872.853 where: short stacking energy: -798.362 Base-Backbone interact. energy: 0.771 local terms energy: -856.806203 where: bonds (distance) C4'-P energy: -142.716 bonds (distance) P-C4' energy: -158.491 flat angles C4'-P-C4' energy: -171.521 flat angles P-C4'-P energy: -136.963 tors. eta vs tors. theta energy: -247.115 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: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2561.943087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.943087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.943087 (E_RNA) where: Base-Base interactions energy: -1772.973 where: short stacking energy: -766.601 Base-Backbone interact. energy: 1.421 local terms energy: -790.390643 where: bonds (distance) C4'-P energy: -140.786 bonds (distance) P-C4' energy: -141.277 flat angles C4'-P-C4' energy: -161.567 flat angles P-C4'-P energy: -108.069 tors. eta vs tors. theta energy: -238.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2414.732903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.732903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.732903 (E_RNA) where: Base-Base interactions energy: -1650.193 where: short stacking energy: -673.042 Base-Backbone interact. energy: -0.044 local terms energy: -764.496327 where: bonds (distance) C4'-P energy: -149.367 bonds (distance) P-C4' energy: -141.844 flat angles C4'-P-C4' energy: -165.062 flat angles P-C4'-P energy: -108.140 tors. eta vs tors. theta energy: -200.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2061.860362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.860362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.860362 (E_RNA) where: Base-Base interactions energy: -1375.202 where: short stacking energy: -600.494 Base-Backbone interact. energy: 1.422 local terms energy: -688.079618 where: bonds (distance) C4'-P energy: -141.919 bonds (distance) P-C4' energy: -145.589 flat angles C4'-P-C4' energy: -147.987 flat angles P-C4'-P energy: -87.755 tors. eta vs tors. theta energy: -164.830 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: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1924.129961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.129961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.129961 (E_RNA) where: Base-Base interactions energy: -1263.449 where: short stacking energy: -537.504 Base-Backbone interact. energy: -3.581 local terms energy: -657.099978 where: bonds (distance) C4'-P energy: -119.943 bonds (distance) P-C4' energy: -160.636 flat angles C4'-P-C4' energy: -136.626 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -137.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1190.497514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.497514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.497514 (E_RNA) where: Base-Base interactions energy: -658.716 where: short stacking energy: -336.799 Base-Backbone interact. energy: -0.032 local terms energy: -531.749327 where: bonds (distance) C4'-P energy: -135.377 bonds (distance) P-C4' energy: -137.583 flat angles C4'-P-C4' energy: -139.527 flat angles P-C4'-P energy: -91.426 tors. eta vs tors. theta energy: -27.836 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: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -912.150273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.150273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.150273 (E_RNA) where: Base-Base interactions energy: -452.189 where: short stacking energy: -257.665 Base-Backbone interact. energy: 4.360 local terms energy: -464.321433 where: bonds (distance) C4'-P energy: -132.990 bonds (distance) P-C4' energy: -130.852 flat angles C4'-P-C4' energy: -128.924 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -711.916019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.916019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.916019 (E_RNA) where: Base-Base interactions energy: -316.236 where: short stacking energy: -233.506 Base-Backbone interact. energy: 2.686 local terms energy: -398.365601 where: bonds (distance) C4'-P energy: -117.641 bonds (distance) P-C4' energy: -137.832 flat angles C4'-P-C4' energy: -121.374 flat angles P-C4'-P energy: -41.692 tors. eta vs tors. theta energy: 20.173 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: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2901.099571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.099571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.099571 (E_RNA) where: Base-Base interactions energy: -2008.801 where: short stacking energy: -821.793 Base-Backbone interact. energy: -4.696 local terms energy: -887.603411 where: bonds (distance) C4'-P energy: -151.798 bonds (distance) P-C4' energy: -177.213 flat angles C4'-P-C4' energy: -195.450 flat angles P-C4'-P energy: -120.183 tors. eta vs tors. theta energy: -242.960 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: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2886.266132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.266132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.266132 (E_RNA) where: Base-Base interactions energy: -2013.422 where: short stacking energy: -796.831 Base-Backbone interact. energy: -3.196 local terms energy: -869.648955 where: bonds (distance) C4'-P energy: -155.229 bonds (distance) P-C4' energy: -156.685 flat angles C4'-P-C4' energy: -188.900 flat angles P-C4'-P energy: -129.365 tors. eta vs tors. theta energy: -239.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2702.421574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.421574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.421574 (E_RNA) where: Base-Base interactions energy: -1850.206 where: short stacking energy: -797.732 Base-Backbone interact. energy: -0.245 local terms energy: -851.970503 where: bonds (distance) C4'-P energy: -154.470 bonds (distance) P-C4' energy: -159.871 flat angles C4'-P-C4' energy: -178.685 flat angles P-C4'-P energy: -113.642 tors. eta vs tors. theta energy: -245.304 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: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2528.058815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.058815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.058815 (E_RNA) where: Base-Base interactions energy: -1727.993 where: short stacking energy: -750.858 Base-Backbone interact. energy: 0.299 local terms energy: -800.364678 where: bonds (distance) C4'-P energy: -146.738 bonds (distance) P-C4' energy: -150.897 flat angles C4'-P-C4' energy: -164.795 flat angles P-C4'-P energy: -113.367 tors. eta vs tors. theta energy: -224.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2426.322579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.322579 (E_RNA) where: Base-Base interactions energy: -1652.996 where: short stacking energy: -683.161 Base-Backbone interact. energy: 1.358 local terms energy: -774.683689 where: bonds (distance) C4'-P energy: -136.511 bonds (distance) P-C4' energy: -166.282 flat angles C4'-P-C4' energy: -162.549 flat angles P-C4'-P energy: -110.622 tors. eta vs tors. theta energy: -198.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1997.669564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.669564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.669564 (E_RNA) where: Base-Base interactions energy: -1343.721 where: short stacking energy: -570.474 Base-Backbone interact. energy: 4.161 local terms energy: -658.109782 where: bonds (distance) C4'-P energy: -129.167 bonds (distance) P-C4' energy: -148.755 flat angles C4'-P-C4' energy: -147.217 flat angles P-C4'-P energy: -91.898 tors. eta vs tors. theta energy: -141.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1934.839985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.839985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.839985 (E_RNA) where: Base-Base interactions energy: -1282.799 where: short stacking energy: -563.441 Base-Backbone interact. energy: -0.694 local terms energy: -651.347270 where: bonds (distance) C4'-P energy: -132.090 bonds (distance) P-C4' energy: -129.183 flat angles C4'-P-C4' energy: -154.348 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -135.918 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: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1301.426326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.426326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.426326 (E_RNA) where: Base-Base interactions energy: -762.050 where: short stacking energy: -367.130 Base-Backbone interact. energy: -5.505 local terms energy: -533.871652 where: bonds (distance) C4'-P energy: -137.748 bonds (distance) P-C4' energy: -129.764 flat angles C4'-P-C4' energy: -131.330 flat angles P-C4'-P energy: -92.379 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: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -958.527048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.527048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.527048 (E_RNA) where: Base-Base interactions energy: -459.804 where: short stacking energy: -276.837 Base-Backbone interact. energy: 4.187 local terms energy: -502.909752 where: bonds (distance) C4'-P energy: -132.375 bonds (distance) P-C4' energy: -173.663 flat angles C4'-P-C4' energy: -117.244 flat angles P-C4'-P energy: -60.275 tors. eta vs tors. theta energy: -19.352 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: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -685.166579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.166579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.166579 (E_RNA) where: Base-Base interactions energy: -284.021 where: short stacking energy: -205.271 Base-Backbone interact. energy: 3.796 local terms energy: -404.941862 where: bonds (distance) C4'-P energy: -122.162 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -105.150 flat angles P-C4'-P energy: -57.017 tors. eta vs tors. theta energy: 34.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2922.714219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.714219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.714219 (E_RNA) where: Base-Base interactions energy: -2024.016 where: short stacking energy: -849.909 Base-Backbone interact. energy: 1.048 local terms energy: -899.746464 where: bonds (distance) C4'-P energy: -162.591 bonds (distance) P-C4' energy: -162.692 flat angles C4'-P-C4' energy: -187.689 flat angles P-C4'-P energy: -128.957 tors. eta vs tors. theta energy: -257.818 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: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2871.965606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.965606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.965606 (E_RNA) where: Base-Base interactions energy: -2008.278 where: short stacking energy: -838.495 Base-Backbone interact. energy: 1.948 local terms energy: -865.636178 where: bonds (distance) C4'-P energy: -155.702 bonds (distance) P-C4' energy: -154.253 flat angles C4'-P-C4' energy: -182.810 flat angles P-C4'-P energy: -115.787 tors. eta vs tors. theta energy: -257.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2695.255332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.255332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.255332 (E_RNA) where: Base-Base interactions energy: -1883.555 where: short stacking energy: -757.579 Base-Backbone interact. energy: -2.973 local terms energy: -808.726966 where: bonds (distance) C4'-P energy: -162.458 bonds (distance) P-C4' energy: -141.002 flat angles C4'-P-C4' energy: -183.772 flat angles P-C4'-P energy: -105.580 tors. eta vs tors. theta energy: -215.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2585.986934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.986934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.986934 (E_RNA) where: Base-Base interactions energy: -1775.544 where: short stacking energy: -737.854 Base-Backbone interact. energy: -0.018 local terms energy: -810.424860 where: bonds (distance) C4'-P energy: -155.378 bonds (distance) P-C4' energy: -151.900 flat angles C4'-P-C4' energy: -177.202 flat angles P-C4'-P energy: -123.753 tors. eta vs tors. theta energy: -202.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2417.742506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.742506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.742506 (E_RNA) where: Base-Base interactions energy: -1659.990 where: short stacking energy: -657.884 Base-Backbone interact. energy: -1.404 local terms energy: -756.348572 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -166.021 flat angles C4'-P-C4' energy: -175.212 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -189.017 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: 385 Temperature: 1.150000 Total energy: -2045.874936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.874936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.874936 (E_RNA) where: Base-Base interactions energy: -1356.137 where: short stacking energy: -558.447 Base-Backbone interact. energy: 0.484 local terms energy: -690.222251 where: bonds (distance) C4'-P energy: -133.521 bonds (distance) P-C4' energy: -157.078 flat angles C4'-P-C4' energy: -156.171 flat angles P-C4'-P energy: -87.433 tors. eta vs tors. theta energy: -156.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1903.514066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.514066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.514066 (E_RNA) where: Base-Base interactions energy: -1245.726 where: short stacking energy: -540.329 Base-Backbone interact. energy: -0.240 local terms energy: -657.547998 where: bonds (distance) C4'-P energy: -134.312 bonds (distance) P-C4' energy: -139.419 flat angles C4'-P-C4' energy: -159.215 flat angles P-C4'-P energy: -85.050 tors. eta vs tors. theta energy: -139.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1391.437207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.437207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.437207 (E_RNA) where: Base-Base interactions energy: -837.209 where: short stacking energy: -401.207 Base-Backbone interact. energy: 3.503 local terms energy: -557.731040 where: bonds (distance) C4'-P energy: -129.051 bonds (distance) P-C4' energy: -150.284 flat angles C4'-P-C4' energy: -136.406 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -60.357 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: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -855.296089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.296089 (E_RNA) where: Base-Base interactions energy: -430.584 where: short stacking energy: -275.168 Base-Backbone interact. energy: 7.398 local terms energy: -432.110869 where: bonds (distance) C4'-P energy: -108.384 bonds (distance) P-C4' energy: -137.205 flat angles C4'-P-C4' energy: -117.509 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: -19.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -707.113529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.113529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.113529 (E_RNA) where: Base-Base interactions energy: -302.652 where: short stacking energy: -212.344 Base-Backbone interact. energy: 0.427 local terms energy: -404.888771 where: bonds (distance) C4'-P energy: -133.531 bonds (distance) P-C4' energy: -133.479 flat angles C4'-P-C4' energy: -123.274 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: 20.865 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: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2920.199026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.199026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.199026 (E_RNA) where: Base-Base interactions energy: -2025.665 where: short stacking energy: -828.348 Base-Backbone interact. energy: -4.490 local terms energy: -890.044356 where: bonds (distance) C4'-P energy: -157.803 bonds (distance) P-C4' energy: -182.037 flat angles C4'-P-C4' energy: -195.691 flat angles P-C4'-P energy: -109.925 tors. eta vs tors. theta energy: -244.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2872.502057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.502057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.502057 (E_RNA) where: Base-Base interactions energy: -1991.397 where: short stacking energy: -824.369 Base-Backbone interact. energy: -2.303 local terms energy: -878.802571 where: bonds (distance) C4'-P energy: -166.712 bonds (distance) P-C4' energy: -159.177 flat angles C4'-P-C4' energy: -191.973 flat angles P-C4'-P energy: -110.597 tors. eta vs tors. theta energy: -250.344 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: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2753.597271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.597271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.597271 (E_RNA) where: Base-Base interactions energy: -1916.223 where: short stacking energy: -785.680 Base-Backbone interact. energy: -4.394 local terms energy: -832.980276 where: bonds (distance) C4'-P energy: -157.475 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -173.806 flat angles P-C4'-P energy: -124.572 tors. eta vs tors. theta energy: -226.817 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: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2533.805293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.805293 (E_RNA) where: Base-Base interactions energy: -1749.352 where: short stacking energy: -762.194 Base-Backbone interact. energy: 0.604 local terms energy: -785.057224 where: bonds (distance) C4'-P energy: -141.315 bonds (distance) P-C4' energy: -128.914 flat angles C4'-P-C4' energy: -179.630 flat angles P-C4'-P energy: -118.295 tors. eta vs tors. theta energy: -216.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2414.531114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.531114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.531114 (E_RNA) where: Base-Base interactions energy: -1671.203 where: short stacking energy: -666.313 Base-Backbone interact. energy: -0.744 local terms energy: -742.584800 where: bonds (distance) C4'-P energy: -160.939 bonds (distance) P-C4' energy: -137.878 flat angles C4'-P-C4' energy: -163.770 flat angles P-C4'-P energy: -102.913 tors. eta vs tors. theta energy: -177.085 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: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2029.264341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.264341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.264341 (E_RNA) where: Base-Base interactions energy: -1333.933 where: short stacking energy: -562.977 Base-Backbone interact. energy: -0.624 local terms energy: -694.707494 where: bonds (distance) C4'-P energy: -153.401 bonds (distance) P-C4' energy: -139.564 flat angles C4'-P-C4' energy: -172.045 flat angles P-C4'-P energy: -91.016 tors. eta vs tors. theta energy: -138.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1995.220608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.220608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.220608 (E_RNA) where: Base-Base interactions energy: -1311.465 where: short stacking energy: -561.278 Base-Backbone interact. energy: -1.499 local terms energy: -682.256100 where: bonds (distance) C4'-P energy: -139.756 bonds (distance) P-C4' energy: -146.162 flat angles C4'-P-C4' energy: -144.776 flat angles P-C4'-P energy: -96.650 tors. eta vs tors. theta energy: -154.913 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: 386 Temperature: 1.250000 Total energy: -1407.269707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.269707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.269707 (E_RNA) where: Base-Base interactions energy: -823.901 where: short stacking energy: -399.030 Base-Backbone interact. energy: -3.143 local terms energy: -580.226270 where: bonds (distance) C4'-P energy: -131.213 bonds (distance) P-C4' energy: -134.743 flat angles C4'-P-C4' energy: -147.989 flat angles P-C4'-P energy: -82.330 tors. eta vs tors. theta energy: -83.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -869.809574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.809574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.809574 (E_RNA) where: Base-Base interactions energy: -379.668 where: short stacking energy: -231.419 Base-Backbone interact. energy: 1.226 local terms energy: -491.367518 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -133.301 flat angles C4'-P-C4' energy: -137.717 flat angles P-C4'-P energy: -85.107 tors. eta vs tors. theta energy: -15.524 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: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -725.202148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.202148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.202148 (E_RNA) where: Base-Base interactions energy: -304.906 where: short stacking energy: -177.085 Base-Backbone interact. energy: -4.003 local terms energy: -416.293589 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -133.793 flat angles C4'-P-C4' energy: -116.226 flat angles P-C4'-P energy: -51.133 tors. eta vs tors. theta energy: 16.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2896.739471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.739471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.739471 (E_RNA) where: Base-Base interactions energy: -2004.780 where: short stacking energy: -843.916 Base-Backbone interact. energy: -6.137 local terms energy: -885.822600 where: bonds (distance) C4'-P energy: -166.843 bonds (distance) P-C4' energy: -154.861 flat angles C4'-P-C4' energy: -178.988 flat angles P-C4'-P energy: -130.642 tors. eta vs tors. theta energy: -254.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2840.108664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.108664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.108664 (E_RNA) where: Base-Base interactions energy: -1952.334 where: short stacking energy: -818.184 Base-Backbone interact. energy: 2.167 local terms energy: -889.942010 where: bonds (distance) C4'-P energy: -171.773 bonds (distance) P-C4' energy: -149.946 flat angles C4'-P-C4' energy: -186.970 flat angles P-C4'-P energy: -133.089 tors. eta vs tors. theta energy: -248.164 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: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2742.289268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.289268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.289268 (E_RNA) where: Base-Base interactions energy: -1936.518 where: short stacking energy: -802.233 Base-Backbone interact. energy: -0.414 local terms energy: -805.356486 where: bonds (distance) C4'-P energy: -126.990 bonds (distance) P-C4' energy: -156.265 flat angles C4'-P-C4' energy: -176.584 flat angles P-C4'-P energy: -109.419 tors. eta vs tors. theta energy: -236.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2545.204348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.204348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.204348 (E_RNA) where: Base-Base interactions energy: -1765.214 where: short stacking energy: -732.656 Base-Backbone interact. energy: -3.617 local terms energy: -776.373041 where: bonds (distance) C4'-P energy: -144.489 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -170.541 flat angles P-C4'-P energy: -102.734 tors. eta vs tors. theta energy: -211.146 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: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2414.408677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.408677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.408677 (E_RNA) where: Base-Base interactions energy: -1686.315 where: short stacking energy: -658.891 Base-Backbone interact. energy: 1.750 local terms energy: -729.843935 where: bonds (distance) C4'-P energy: -154.526 bonds (distance) P-C4' energy: -150.521 flat angles C4'-P-C4' energy: -153.401 flat angles P-C4'-P energy: -91.853 tors. eta vs tors. theta energy: -179.544 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: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2047.704441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.704441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.704441 (E_RNA) where: Base-Base interactions energy: -1325.025 where: short stacking energy: -596.720 Base-Backbone interact. energy: -4.600 local terms energy: -718.080111 where: bonds (distance) C4'-P energy: -140.505 bonds (distance) P-C4' energy: -166.736 flat angles C4'-P-C4' energy: -164.062 flat angles P-C4'-P energy: -95.258 tors. eta vs tors. theta energy: -151.519 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: 387 Temperature: 1.200000 Total energy: -1943.264874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.264874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.264874 (E_RNA) where: Base-Base interactions energy: -1284.231 where: short stacking energy: -553.725 Base-Backbone interact. energy: 1.821 local terms energy: -660.854916 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -146.295 flat angles C4'-P-C4' energy: -151.985 flat angles P-C4'-P energy: -93.560 tors. eta vs tors. theta energy: -134.235 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: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1370.220130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.220130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.220130 (E_RNA) where: Base-Base interactions energy: -813.881 where: short stacking energy: -368.441 Base-Backbone interact. energy: 0.933 local terms energy: -557.271971 where: bonds (distance) C4'-P energy: -144.258 bonds (distance) P-C4' energy: -141.653 flat angles C4'-P-C4' energy: -137.428 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -44.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -834.366059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.366059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.366059 (E_RNA) where: Base-Base interactions energy: -392.396 where: short stacking energy: -249.389 Base-Backbone interact. energy: 3.396 local terms energy: -445.365789 where: bonds (distance) C4'-P energy: -124.508 bonds (distance) P-C4' energy: -137.104 flat angles C4'-P-C4' energy: -108.033 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: 6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -788.542661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.542661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.542661 (E_RNA) where: Base-Base interactions energy: -382.796 where: short stacking energy: -209.878 Base-Backbone interact. energy: 10.444 local terms energy: -416.191089 where: bonds (distance) C4'-P energy: -123.662 bonds (distance) P-C4' energy: -117.658 flat angles C4'-P-C4' energy: -133.201 flat angles P-C4'-P energy: -64.177 tors. eta vs tors. theta energy: 22.507 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: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2911.940681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.940681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.940681 (E_RNA) where: Base-Base interactions energy: -2030.160 where: short stacking energy: -838.421 Base-Backbone interact. energy: 1.342 local terms energy: -883.122201 where: bonds (distance) C4'-P energy: -156.359 bonds (distance) P-C4' energy: -163.756 flat angles C4'-P-C4' energy: -188.905 flat angles P-C4'-P energy: -123.358 tors. eta vs tors. theta energy: -250.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2853.799388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.799388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.799388 (E_RNA) where: Base-Base interactions energy: -1980.762 where: short stacking energy: -814.490 Base-Backbone interact. energy: -1.613 local terms energy: -871.424044 where: bonds (distance) C4'-P energy: -172.248 bonds (distance) P-C4' energy: -154.626 flat angles C4'-P-C4' energy: -175.495 flat angles P-C4'-P energy: -120.726 tors. eta vs tors. theta energy: -248.329 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: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2730.164152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.164152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.164152 (E_RNA) where: Base-Base interactions energy: -1898.184 where: short stacking energy: -774.595 Base-Backbone interact. energy: 0.712 local terms energy: -832.692013 where: bonds (distance) C4'-P energy: -130.335 bonds (distance) P-C4' energy: -172.132 flat angles C4'-P-C4' energy: -177.597 flat angles P-C4'-P energy: -116.174 tors. eta vs tors. theta energy: -236.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2559.800836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.800836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.800836 (E_RNA) where: Base-Base interactions energy: -1776.219 where: short stacking energy: -754.689 Base-Backbone interact. energy: -0.487 local terms energy: -783.094833 where: bonds (distance) C4'-P energy: -156.115 bonds (distance) P-C4' energy: -140.748 flat angles C4'-P-C4' energy: -172.722 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -214.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2419.178447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.178447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.178447 (E_RNA) where: Base-Base interactions energy: -1692.952 where: short stacking energy: -674.063 Base-Backbone interact. energy: 0.299 local terms energy: -726.524755 where: bonds (distance) C4'-P energy: -138.628 bonds (distance) P-C4' energy: -142.329 flat angles C4'-P-C4' energy: -159.251 flat angles P-C4'-P energy: -106.097 tors. eta vs tors. theta energy: -180.219 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: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2011.134064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.134064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.134064 (E_RNA) where: Base-Base interactions energy: -1339.036 where: short stacking energy: -566.310 Base-Backbone interact. energy: -3.563 local terms energy: -668.535809 where: bonds (distance) C4'-P energy: -136.760 bonds (distance) P-C4' energy: -130.012 flat angles C4'-P-C4' energy: -159.433 flat angles P-C4'-P energy: -96.027 tors. eta vs tors. theta energy: -146.304 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: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2014.558041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.558041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.558041 (E_RNA) where: Base-Base interactions energy: -1341.451 where: short stacking energy: -565.036 Base-Backbone interact. energy: -0.522 local terms energy: -672.584763 where: bonds (distance) C4'-P energy: -131.585 bonds (distance) P-C4' energy: -150.185 flat angles C4'-P-C4' energy: -147.593 flat angles P-C4'-P energy: -105.282 tors. eta vs tors. theta energy: -137.940 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: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1374.165459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.165459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.165459 (E_RNA) where: Base-Base interactions energy: -852.916 where: short stacking energy: -395.905 Base-Backbone interact. energy: 0.158 local terms energy: -521.407122 where: bonds (distance) C4'-P energy: -147.818 bonds (distance) P-C4' energy: -150.109 flat angles C4'-P-C4' energy: -113.775 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -53.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -873.419014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.419014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.419014 (E_RNA) where: Base-Base interactions energy: -407.851 where: short stacking energy: -240.390 Base-Backbone interact. energy: 4.549 local terms energy: -470.116934 where: bonds (distance) C4'-P energy: -135.551 bonds (distance) P-C4' energy: -155.422 flat angles C4'-P-C4' energy: -118.402 flat angles P-C4'-P energy: -63.903 tors. eta vs tors. theta energy: 3.161 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: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -762.882476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.882476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.882476 (E_RNA) where: Base-Base interactions energy: -310.412 where: short stacking energy: -204.248 Base-Backbone interact. energy: 1.011 local terms energy: -453.481103 where: bonds (distance) C4'-P energy: -131.308 bonds (distance) P-C4' energy: -129.479 flat angles C4'-P-C4' energy: -101.518 flat angles P-C4'-P energy: -97.983 tors. eta vs tors. theta energy: 6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2923.871235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.871235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.871235 (E_RNA) where: Base-Base interactions energy: -2010.587 where: short stacking energy: -831.874 Base-Backbone interact. energy: -5.672 local terms energy: -907.612189 where: bonds (distance) C4'-P energy: -174.857 bonds (distance) P-C4' energy: -170.078 flat angles C4'-P-C4' energy: -181.329 flat angles P-C4'-P energy: -125.263 tors. eta vs tors. theta energy: -256.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2868.036939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.036939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.036939 (E_RNA) where: Base-Base interactions energy: -2000.886 where: short stacking energy: -829.429 Base-Backbone interact. energy: 1.789 local terms energy: -868.940433 where: bonds (distance) C4'-P energy: -155.868 bonds (distance) P-C4' energy: -164.417 flat angles C4'-P-C4' energy: -178.113 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -247.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2768.566150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.566150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.566150 (E_RNA) where: Base-Base interactions energy: -1922.285 where: short stacking energy: -789.959 Base-Backbone interact. energy: 0.732 local terms energy: -847.013791 where: bonds (distance) C4'-P energy: -160.021 bonds (distance) P-C4' energy: -160.347 flat angles C4'-P-C4' energy: -174.021 flat angles P-C4'-P energy: -119.115 tors. eta vs tors. theta energy: -233.510 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: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2570.939608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.939608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.939608 (E_RNA) where: Base-Base interactions energy: -1736.296 where: short stacking energy: -746.529 Base-Backbone interact. energy: -4.016 local terms energy: -830.627567 where: bonds (distance) C4'-P energy: -144.308 bonds (distance) P-C4' energy: -158.273 flat angles C4'-P-C4' energy: -175.345 flat angles P-C4'-P energy: -125.513 tors. eta vs tors. theta energy: -227.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2432.266786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.266786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.266786 (E_RNA) where: Base-Base interactions energy: -1707.561 where: short stacking energy: -677.021 Base-Backbone interact. energy: 3.879 local terms energy: -728.585034 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -138.909 flat angles C4'-P-C4' energy: -157.222 flat angles P-C4'-P energy: -99.720 tors. eta vs tors. theta energy: -193.850 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: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2017.154681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.154681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.154681 (E_RNA) where: Base-Base interactions energy: -1362.952 where: short stacking energy: -587.621 Base-Backbone interact. energy: -1.022 local terms energy: -653.180808 where: bonds (distance) C4'-P energy: -137.909 bonds (distance) P-C4' energy: -145.908 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -84.048 tors. eta vs tors. theta energy: -129.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1951.612177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.612177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.612177 (E_RNA) where: Base-Base interactions energy: -1312.163 where: short stacking energy: -595.981 Base-Backbone interact. energy: 0.411 local terms energy: -639.860460 where: bonds (distance) C4'-P energy: -141.510 bonds (distance) P-C4' energy: -116.414 flat angles C4'-P-C4' energy: -117.826 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -154.719 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: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1368.178781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.178781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.178781 (E_RNA) where: Base-Base interactions energy: -824.237 where: short stacking energy: -371.274 Base-Backbone interact. energy: 1.366 local terms energy: -545.308107 where: bonds (distance) C4'-P energy: -131.454 bonds (distance) P-C4' energy: -149.258 flat angles C4'-P-C4' energy: -134.110 flat angles P-C4'-P energy: -85.579 tors. eta vs tors. theta energy: -44.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -873.991769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.991769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.991769 (E_RNA) where: Base-Base interactions energy: -390.747 where: short stacking energy: -242.361 Base-Backbone interact. energy: -4.560 local terms energy: -478.685510 where: bonds (distance) C4'-P energy: -150.325 bonds (distance) P-C4' energy: -131.544 flat angles C4'-P-C4' energy: -120.603 flat angles P-C4'-P energy: -86.706 tors. eta vs tors. theta energy: 10.494 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: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -735.973010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.973010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.973010 (E_RNA) where: Base-Base interactions energy: -311.662 where: short stacking energy: -174.767 Base-Backbone interact. energy: -4.492 local terms energy: -419.818707 where: bonds (distance) C4'-P energy: -138.078 bonds (distance) P-C4' energy: -122.654 flat angles C4'-P-C4' energy: -105.460 flat angles P-C4'-P energy: -87.133 tors. eta vs tors. theta energy: 33.507 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2888.629746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.629746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.629746 (E_RNA) where: Base-Base interactions energy: -1995.636 where: short stacking energy: -815.583 Base-Backbone interact. energy: -7.051 local terms energy: -885.943381 where: bonds (distance) C4'-P energy: -159.446 bonds (distance) P-C4' energy: -173.587 flat angles C4'-P-C4' energy: -175.905 flat angles P-C4'-P energy: -127.743 tors. eta vs tors. theta energy: -249.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2852.770973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.770973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.770973 (E_RNA) where: Base-Base interactions energy: -1981.910 where: short stacking energy: -838.401 Base-Backbone interact. energy: -2.733 local terms energy: -868.128710 where: bonds (distance) C4'-P energy: -144.375 bonds (distance) P-C4' energy: -159.014 flat angles C4'-P-C4' energy: -183.976 flat angles P-C4'-P energy: -130.188 tors. eta vs tors. theta energy: -250.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2734.243428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.243428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.243428 (E_RNA) where: Base-Base interactions energy: -1869.856 where: short stacking energy: -780.445 Base-Backbone interact. energy: -2.484 local terms energy: -861.903056 where: bonds (distance) C4'-P energy: -161.894 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -188.548 flat angles P-C4'-P energy: -125.659 tors. eta vs tors. theta energy: -226.818 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: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2615.560758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.560758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.560758 (E_RNA) where: Base-Base interactions energy: -1785.564 where: short stacking energy: -749.919 Base-Backbone interact. energy: -3.097 local terms energy: -826.899607 where: bonds (distance) C4'-P energy: -161.449 bonds (distance) P-C4' energy: -147.644 flat angles C4'-P-C4' energy: -184.438 flat angles P-C4'-P energy: -103.360 tors. eta vs tors. theta energy: -230.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2456.497857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.497857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.497857 (E_RNA) where: Base-Base interactions energy: -1688.501 where: short stacking energy: -663.052 Base-Backbone interact. energy: -3.330 local terms energy: -764.667001 where: bonds (distance) C4'-P energy: -146.220 bonds (distance) P-C4' energy: -147.967 flat angles C4'-P-C4' energy: -168.196 flat angles P-C4'-P energy: -109.777 tors. eta vs tors. theta energy: -192.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1951.544360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.544360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.544360 (E_RNA) where: Base-Base interactions energy: -1318.302 where: short stacking energy: -567.909 Base-Backbone interact. energy: 8.788 local terms energy: -642.030777 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -132.141 flat angles C4'-P-C4' energy: -139.654 flat angles P-C4'-P energy: -95.844 tors. eta vs tors. theta energy: -128.160 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: 390 Temperature: 1.200000 Total energy: -1884.931518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.931518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.931518 (E_RNA) where: Base-Base interactions energy: -1234.191 where: short stacking energy: -554.763 Base-Backbone interact. energy: 0.233 local terms energy: -650.973260 where: bonds (distance) C4'-P energy: -133.217 bonds (distance) P-C4' energy: -153.457 flat angles C4'-P-C4' energy: -145.688 flat angles P-C4'-P energy: -93.598 tors. eta vs tors. theta energy: -125.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1378.132763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.132763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.132763 (E_RNA) where: Base-Base interactions energy: -806.323 where: short stacking energy: -383.014 Base-Backbone interact. energy: 0.855 local terms energy: -572.664488 where: bonds (distance) C4'-P energy: -129.832 bonds (distance) P-C4' energy: -153.873 flat angles C4'-P-C4' energy: -137.206 flat angles P-C4'-P energy: -93.949 tors. eta vs tors. theta energy: -57.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -993.740492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.740492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.740492 (E_RNA) where: Base-Base interactions energy: -509.723 where: short stacking energy: -272.538 Base-Backbone interact. energy: -1.949 local terms energy: -482.067909 where: bonds (distance) C4'-P energy: -129.554 bonds (distance) P-C4' energy: -142.453 flat angles C4'-P-C4' energy: -128.352 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -18.049 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: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -783.306209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.306209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.306209 (E_RNA) where: Base-Base interactions energy: -338.570 where: short stacking energy: -190.157 Base-Backbone interact. energy: -0.773 local terms energy: -443.962698 where: bonds (distance) C4'-P energy: -145.420 bonds (distance) P-C4' energy: -148.257 flat angles C4'-P-C4' energy: -106.807 flat angles P-C4'-P energy: -73.431 tors. eta vs tors. theta energy: 29.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2901.545186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.545186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.545186 (E_RNA) where: Base-Base interactions energy: -2000.811 where: short stacking energy: -836.219 Base-Backbone interact. energy: -3.931 local terms energy: -896.803131 where: bonds (distance) C4'-P energy: -173.782 bonds (distance) P-C4' energy: -172.091 flat angles C4'-P-C4' energy: -186.602 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -250.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2859.693365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.693365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.693365 (E_RNA) where: Base-Base interactions energy: -1977.757 where: short stacking energy: -865.484 Base-Backbone interact. energy: -1.223 local terms energy: -880.713522 where: bonds (distance) C4'-P energy: -165.000 bonds (distance) P-C4' energy: -172.894 flat angles C4'-P-C4' energy: -180.029 flat angles P-C4'-P energy: -106.987 tors. eta vs tors. theta energy: -255.804 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: 391 Temperature: 1.000000 Total energy: -2684.676430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.676430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.676430 (E_RNA) where: Base-Base interactions energy: -1858.028 where: short stacking energy: -755.694 Base-Backbone interact. energy: 1.710 local terms energy: -828.358058 where: bonds (distance) C4'-P energy: -139.784 bonds (distance) P-C4' energy: -158.615 flat angles C4'-P-C4' energy: -179.861 flat angles P-C4'-P energy: -118.340 tors. eta vs tors. theta energy: -231.758 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: 391 Temperature: 1.050000 Total energy: -2614.783730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.783730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.783730 (E_RNA) where: Base-Base interactions energy: -1808.370 where: short stacking energy: -768.168 Base-Backbone interact. energy: -4.269 local terms energy: -802.144488 where: bonds (distance) C4'-P energy: -135.944 bonds (distance) P-C4' energy: -163.329 flat angles C4'-P-C4' energy: -166.093 flat angles P-C4'-P energy: -108.653 tors. eta vs tors. theta energy: -228.125 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: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2493.694763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.694763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.694763 (E_RNA) where: Base-Base interactions energy: -1728.302 where: short stacking energy: -679.251 Base-Backbone interact. energy: -2.170 local terms energy: -763.223440 where: bonds (distance) C4'-P energy: -140.652 bonds (distance) P-C4' energy: -158.255 flat angles C4'-P-C4' energy: -169.492 flat angles P-C4'-P energy: -106.325 tors. eta vs tors. theta energy: -188.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1993.114536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.114536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.114536 (E_RNA) where: Base-Base interactions energy: -1332.288 where: short stacking energy: -552.680 Base-Backbone interact. energy: -2.274 local terms energy: -658.552066 where: bonds (distance) C4'-P energy: -143.295 bonds (distance) P-C4' energy: -142.353 flat angles C4'-P-C4' energy: -143.262 flat angles P-C4'-P energy: -101.643 tors. eta vs tors. theta energy: -127.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1874.493675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.493675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.493675 (E_RNA) where: Base-Base interactions energy: -1230.151 where: short stacking energy: -545.201 Base-Backbone interact. energy: -0.320 local terms energy: -644.022476 where: bonds (distance) C4'-P energy: -138.231 bonds (distance) P-C4' energy: -140.756 flat angles C4'-P-C4' energy: -151.861 flat angles P-C4'-P energy: -82.813 tors. eta vs tors. theta energy: -130.362 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: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1316.131047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.131047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.131047 (E_RNA) where: Base-Base interactions energy: -770.828 where: short stacking energy: -357.178 Base-Backbone interact. energy: -2.138 local terms energy: -543.164533 where: bonds (distance) C4'-P energy: -135.865 bonds (distance) P-C4' energy: -132.206 flat angles C4'-P-C4' energy: -141.634 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -52.529 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: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -986.655044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.655044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.655044 (E_RNA) where: Base-Base interactions energy: -532.506 where: short stacking energy: -249.558 Base-Backbone interact. energy: 0.615 local terms energy: -454.763909 where: bonds (distance) C4'-P energy: -111.061 bonds (distance) P-C4' energy: -138.517 flat angles C4'-P-C4' energy: -128.660 flat angles P-C4'-P energy: -78.447 tors. eta vs tors. theta energy: 1.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -725.553775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.553775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.553775 (E_RNA) where: Base-Base interactions energy: -315.459 where: short stacking energy: -183.609 Base-Backbone interact. energy: -5.349 local terms energy: -404.746070 where: bonds (distance) C4'-P energy: -139.670 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -72.623 tors. eta vs tors. theta energy: 42.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2948.173158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.173158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.173158 (E_RNA) where: Base-Base interactions energy: -2041.108 where: short stacking energy: -866.404 Base-Backbone interact. energy: -1.094 local terms energy: -905.970698 where: bonds (distance) C4'-P energy: -164.845 bonds (distance) P-C4' energy: -168.383 flat angles C4'-P-C4' energy: -196.524 flat angles P-C4'-P energy: -133.111 tors. eta vs tors. theta energy: -243.109 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: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2891.344092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.344092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.344092 (E_RNA) where: Base-Base interactions energy: -2024.768 where: short stacking energy: -826.801 Base-Backbone interact. energy: -1.624 local terms energy: -864.952606 where: bonds (distance) C4'-P energy: -167.202 bonds (distance) P-C4' energy: -156.579 flat angles C4'-P-C4' energy: -174.117 flat angles P-C4'-P energy: -122.658 tors. eta vs tors. theta energy: -244.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2735.626335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.626335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.626335 (E_RNA) where: Base-Base interactions energy: -1867.570 where: short stacking energy: -800.614 Base-Backbone interact. energy: -5.829 local terms energy: -862.227479 where: bonds (distance) C4'-P energy: -156.843 bonds (distance) P-C4' energy: -167.055 flat angles C4'-P-C4' energy: -181.101 flat angles P-C4'-P energy: -120.449 tors. eta vs tors. theta energy: -236.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2564.643630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.643630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.643630 (E_RNA) where: Base-Base interactions energy: -1779.629 where: short stacking energy: -749.423 Base-Backbone interact. energy: 1.139 local terms energy: -786.153255 where: bonds (distance) C4'-P energy: -141.860 bonds (distance) P-C4' energy: -154.647 flat angles C4'-P-C4' energy: -157.513 flat angles P-C4'-P energy: -111.910 tors. eta vs tors. theta energy: -220.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2448.650813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.650813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.650813 (E_RNA) where: Base-Base interactions energy: -1681.863 where: short stacking energy: -692.407 Base-Backbone interact. energy: -5.058 local terms energy: -761.729826 where: bonds (distance) C4'-P energy: -138.919 bonds (distance) P-C4' energy: -158.464 flat angles C4'-P-C4' energy: -170.490 flat angles P-C4'-P energy: -96.001 tors. eta vs tors. theta energy: -197.856 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: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1998.581137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.581137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.581137 (E_RNA) where: Base-Base interactions energy: -1305.919 where: short stacking energy: -553.195 Base-Backbone interact. energy: -1.293 local terms energy: -691.369341 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -147.913 flat angles C4'-P-C4' energy: -173.653 flat angles P-C4'-P energy: -100.635 tors. eta vs tors. theta energy: -135.781 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: 392 Temperature: 1.200000 Total energy: -1840.590165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.590165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.590165 (E_RNA) where: Base-Base interactions energy: -1208.743 where: short stacking energy: -560.236 Base-Backbone interact. energy: 0.478 local terms energy: -632.325236 where: bonds (distance) C4'-P energy: -129.158 bonds (distance) P-C4' energy: -117.630 flat angles C4'-P-C4' energy: -154.883 flat angles P-C4'-P energy: -84.656 tors. eta vs tors. theta energy: -145.998 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: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1311.946853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.946853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.946853 (E_RNA) where: Base-Base interactions energy: -813.738 where: short stacking energy: -377.474 Base-Backbone interact. energy: -1.866 local terms energy: -496.342076 where: bonds (distance) C4'-P energy: -126.895 bonds (distance) P-C4' energy: -141.147 flat angles C4'-P-C4' energy: -111.317 flat angles P-C4'-P energy: -71.607 tors. eta vs tors. theta energy: -45.375 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: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -968.397206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.397206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.397206 (E_RNA) where: Base-Base interactions energy: -487.455 where: short stacking energy: -311.856 Base-Backbone interact. energy: -0.190 local terms energy: -480.752738 where: bonds (distance) C4'-P energy: -131.658 bonds (distance) P-C4' energy: -127.656 flat angles C4'-P-C4' energy: -130.971 flat angles P-C4'-P energy: -75.040 tors. eta vs tors. theta energy: -15.428 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: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -687.291993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.291993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.291993 (E_RNA) where: Base-Base interactions energy: -296.602 where: short stacking energy: -181.666 Base-Backbone interact. energy: 1.010 local terms energy: -391.700409 where: bonds (distance) C4'-P energy: -109.198 bonds (distance) P-C4' energy: -139.446 flat angles C4'-P-C4' energy: -113.119 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: 36.274 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: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2882.166504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.166504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.166504 (E_RNA) where: Base-Base interactions energy: -1990.373 where: short stacking energy: -849.824 Base-Backbone interact. energy: 0.011 local terms energy: -891.804704 where: bonds (distance) C4'-P energy: -161.124 bonds (distance) P-C4' energy: -164.402 flat angles C4'-P-C4' energy: -185.470 flat angles P-C4'-P energy: -129.164 tors. eta vs tors. theta energy: -251.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2860.969223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.969223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.969223 (E_RNA) where: Base-Base interactions energy: -1966.831 where: short stacking energy: -840.162 Base-Backbone interact. energy: -9.942 local terms energy: -884.196386 where: bonds (distance) C4'-P energy: -158.523 bonds (distance) P-C4' energy: -175.305 flat angles C4'-P-C4' energy: -188.609 flat angles P-C4'-P energy: -117.167 tors. eta vs tors. theta energy: -244.592 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: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2748.275728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.275728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.275728 (E_RNA) where: Base-Base interactions energy: -1922.021 where: short stacking energy: -795.217 Base-Backbone interact. energy: -6.510 local terms energy: -819.744318 where: bonds (distance) C4'-P energy: -145.073 bonds (distance) P-C4' energy: -148.796 flat angles C4'-P-C4' energy: -183.223 flat angles P-C4'-P energy: -116.061 tors. eta vs tors. theta energy: -226.591 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: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2601.202196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.202196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.202196 (E_RNA) where: Base-Base interactions energy: -1794.220 where: short stacking energy: -745.145 Base-Backbone interact. energy: 2.672 local terms energy: -809.654039 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -180.399 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -234.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2417.936401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.936401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.936401 (E_RNA) where: Base-Base interactions energy: -1696.795 where: short stacking energy: -664.248 Base-Backbone interact. energy: -0.723 local terms energy: -720.418225 where: bonds (distance) C4'-P energy: -123.990 bonds (distance) P-C4' energy: -146.062 flat angles C4'-P-C4' energy: -169.221 flat angles P-C4'-P energy: -93.440 tors. eta vs tors. theta energy: -187.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2020.248096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.248096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.248096 (E_RNA) where: Base-Base interactions energy: -1338.215 where: short stacking energy: -572.094 Base-Backbone interact. energy: -2.973 local terms energy: -679.060639 where: bonds (distance) C4'-P energy: -139.009 bonds (distance) P-C4' energy: -133.145 flat angles C4'-P-C4' energy: -159.544 flat angles P-C4'-P energy: -104.501 tors. eta vs tors. theta energy: -142.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1847.124472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.124472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.124472 (E_RNA) where: Base-Base interactions energy: -1204.440 where: short stacking energy: -534.101 Base-Backbone interact. energy: -1.583 local terms energy: -641.100849 where: bonds (distance) C4'-P energy: -133.336 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -96.261 tors. eta vs tors. theta energy: -124.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1298.717381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.717381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.717381 (E_RNA) where: Base-Base interactions energy: -766.808 where: short stacking energy: -397.619 Base-Backbone interact. energy: 2.835 local terms energy: -534.744156 where: bonds (distance) C4'-P energy: -123.341 bonds (distance) P-C4' energy: -137.096 flat angles C4'-P-C4' energy: -140.198 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -57.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -962.551774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.551774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.551774 (E_RNA) where: Base-Base interactions energy: -457.620 where: short stacking energy: -257.794 Base-Backbone interact. energy: 10.313 local terms energy: -515.245430 where: bonds (distance) C4'-P energy: -134.062 bonds (distance) P-C4' energy: -164.842 flat angles C4'-P-C4' energy: -124.810 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: -21.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -731.386844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.386844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.386844 (E_RNA) where: Base-Base interactions energy: -340.348 where: short stacking energy: -222.832 Base-Backbone interact. energy: 1.618 local terms energy: -392.656412 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -138.413 flat angles C4'-P-C4' energy: -114.837 flat angles P-C4'-P energy: -36.072 tors. eta vs tors. theta energy: 7.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2906.299293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.299293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.299293 (E_RNA) where: Base-Base interactions energy: -2036.432 where: short stacking energy: -850.306 Base-Backbone interact. energy: -3.525 local terms energy: -866.342676 where: bonds (distance) C4'-P energy: -156.253 bonds (distance) P-C4' energy: -151.202 flat angles C4'-P-C4' energy: -187.425 flat angles P-C4'-P energy: -128.960 tors. eta vs tors. theta energy: -242.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2818.444999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.444999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.444999 (E_RNA) where: Base-Base interactions energy: -1939.308 where: short stacking energy: -802.806 Base-Backbone interact. energy: -6.041 local terms energy: -873.096016 where: bonds (distance) C4'-P energy: -137.948 bonds (distance) P-C4' energy: -172.610 flat angles C4'-P-C4' energy: -195.063 flat angles P-C4'-P energy: -125.063 tors. eta vs tors. theta energy: -242.413 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: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2732.822005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.822005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.822005 (E_RNA) where: Base-Base interactions energy: -1926.255 where: short stacking energy: -776.744 Base-Backbone interact. energy: 2.281 local terms energy: -808.848124 where: bonds (distance) C4'-P energy: -146.794 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -176.474 flat angles P-C4'-P energy: -109.214 tors. eta vs tors. theta energy: -233.309 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: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2633.063787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.063787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.063787 (E_RNA) where: Base-Base interactions energy: -1803.842 where: short stacking energy: -789.509 Base-Backbone interact. energy: -0.364 local terms energy: -828.858095 where: bonds (distance) C4'-P energy: -150.781 bonds (distance) P-C4' energy: -149.744 flat angles C4'-P-C4' energy: -170.057 flat angles P-C4'-P energy: -118.032 tors. eta vs tors. theta energy: -240.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2467.708469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.708469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.708469 (E_RNA) where: Base-Base interactions energy: -1714.026 where: short stacking energy: -715.187 Base-Backbone interact. energy: -1.492 local terms energy: -752.190585 where: bonds (distance) C4'-P energy: -138.873 bonds (distance) P-C4' energy: -149.917 flat angles C4'-P-C4' energy: -156.968 flat angles P-C4'-P energy: -109.545 tors. eta vs tors. theta energy: -196.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1989.375002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.375002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.375002 (E_RNA) where: Base-Base interactions energy: -1317.623 where: short stacking energy: -537.750 Base-Backbone interact. energy: 1.599 local terms energy: -673.350593 where: bonds (distance) C4'-P energy: -140.518 bonds (distance) P-C4' energy: -156.909 flat angles C4'-P-C4' energy: -160.269 flat angles P-C4'-P energy: -90.707 tors. eta vs tors. theta energy: -124.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1822.339376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.339376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.339376 (E_RNA) where: Base-Base interactions energy: -1187.662 where: short stacking energy: -499.816 Base-Backbone interact. energy: -5.334 local terms energy: -629.343344 where: bonds (distance) C4'-P energy: -140.123 bonds (distance) P-C4' energy: -134.645 flat angles C4'-P-C4' energy: -149.849 flat angles P-C4'-P energy: -87.186 tors. eta vs tors. theta energy: -117.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1302.591247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.591247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.591247 (E_RNA) where: Base-Base interactions energy: -769.868 where: short stacking energy: -374.581 Base-Backbone interact. energy: 3.564 local terms energy: -536.287342 where: bonds (distance) C4'-P energy: -144.370 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -133.687 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -50.384 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: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -957.166666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.166666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.166666 (E_RNA) where: Base-Base interactions energy: -482.740 where: short stacking energy: -267.463 Base-Backbone interact. energy: -0.636 local terms energy: -473.790713 where: bonds (distance) C4'-P energy: -124.517 bonds (distance) P-C4' energy: -163.295 flat angles C4'-P-C4' energy: -122.433 flat angles P-C4'-P energy: -52.015 tors. eta vs tors. theta energy: -11.531 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: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -739.754693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.754693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.754693 (E_RNA) where: Base-Base interactions energy: -346.254 where: short stacking energy: -218.801 Base-Backbone interact. energy: -1.439 local terms energy: -392.061434 where: bonds (distance) C4'-P energy: -122.970 bonds (distance) P-C4' energy: -130.850 flat angles C4'-P-C4' energy: -98.439 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: 20.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2909.001367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.001367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.001367 (E_RNA) where: Base-Base interactions energy: -2007.809 where: short stacking energy: -823.619 Base-Backbone interact. energy: -2.330 local terms energy: -898.862921 where: bonds (distance) C4'-P energy: -165.042 bonds (distance) P-C4' energy: -170.479 flat angles C4'-P-C4' energy: -185.450 flat angles P-C4'-P energy: -138.105 tors. eta vs tors. theta energy: -239.786 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: 395 Temperature: 0.950000 Total energy: -2835.345120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.345120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.345120 (E_RNA) where: Base-Base interactions energy: -1960.275 where: short stacking energy: -810.041 Base-Backbone interact. energy: -5.823 local terms energy: -869.247803 where: bonds (distance) C4'-P energy: -160.074 bonds (distance) P-C4' energy: -153.627 flat angles C4'-P-C4' energy: -193.789 flat angles P-C4'-P energy: -117.432 tors. eta vs tors. theta energy: -244.325 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: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2731.332265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.332265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.332265 (E_RNA) where: Base-Base interactions energy: -1884.354 where: short stacking energy: -787.707 Base-Backbone interact. energy: -2.514 local terms energy: -844.464057 where: bonds (distance) C4'-P energy: -157.874 bonds (distance) P-C4' energy: -146.365 flat angles C4'-P-C4' energy: -181.570 flat angles P-C4'-P energy: -117.216 tors. eta vs tors. theta energy: -241.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2596.546493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.546493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.546493 (E_RNA) where: Base-Base interactions energy: -1794.352 where: short stacking energy: -738.949 Base-Backbone interact. energy: -1.547 local terms energy: -800.648137 where: bonds (distance) C4'-P energy: -139.760 bonds (distance) P-C4' energy: -161.949 flat angles C4'-P-C4' energy: -175.737 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -205.796 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: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2413.495773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.495773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.495773 (E_RNA) where: Base-Base interactions energy: -1688.216 where: short stacking energy: -675.590 Base-Backbone interact. energy: -1.615 local terms energy: -723.665138 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -151.299 flat angles C4'-P-C4' energy: -150.587 flat angles P-C4'-P energy: -96.478 tors. eta vs tors. theta energy: -196.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1910.152364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.152364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.152364 (E_RNA) where: Base-Base interactions energy: -1252.962 where: short stacking energy: -559.874 Base-Backbone interact. energy: -2.252 local terms energy: -654.938094 where: bonds (distance) C4'-P energy: -143.821 bonds (distance) P-C4' energy: -145.241 flat angles C4'-P-C4' energy: -150.087 flat angles P-C4'-P energy: -85.556 tors. eta vs tors. theta energy: -130.234 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: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1860.581797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.581797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.581797 (E_RNA) where: Base-Base interactions energy: -1234.678 where: short stacking energy: -504.747 Base-Backbone interact. energy: -1.694 local terms energy: -624.209510 where: bonds (distance) C4'-P energy: -123.526 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -149.458 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -134.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1330.961158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.961158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.961158 (E_RNA) where: Base-Base interactions energy: -790.484 where: short stacking energy: -373.512 Base-Backbone interact. energy: -4.441 local terms energy: -536.036776 where: bonds (distance) C4'-P energy: -126.607 bonds (distance) P-C4' energy: -150.998 flat angles C4'-P-C4' energy: -131.113 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -40.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -976.311999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.311999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.311999 (E_RNA) where: Base-Base interactions energy: -478.923 where: short stacking energy: -261.971 Base-Backbone interact. energy: 1.075 local terms energy: -498.463665 where: bonds (distance) C4'-P energy: -127.785 bonds (distance) P-C4' energy: -162.997 flat angles C4'-P-C4' energy: -132.579 flat angles P-C4'-P energy: -67.527 tors. eta vs tors. theta energy: -7.576 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: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -756.491913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.491913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.491913 (E_RNA) where: Base-Base interactions energy: -319.471 where: short stacking energy: -194.522 Base-Backbone interact. energy: -1.403 local terms energy: -435.618173 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -143.540 flat angles C4'-P-C4' energy: -123.826 flat angles P-C4'-P energy: -67.730 tors. eta vs tors. theta energy: 26.379 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: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2900.908389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.908389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.908389 (E_RNA) where: Base-Base interactions energy: -2028.037 where: short stacking energy: -837.249 Base-Backbone interact. energy: -0.190 local terms energy: -872.681823 where: bonds (distance) C4'-P energy: -153.439 bonds (distance) P-C4' energy: -169.402 flat angles C4'-P-C4' energy: -192.964 flat angles P-C4'-P energy: -111.727 tors. eta vs tors. theta energy: -245.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2824.077239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.077239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.077239 (E_RNA) where: Base-Base interactions energy: -1918.166 where: short stacking energy: -799.580 Base-Backbone interact. energy: -8.960 local terms energy: -896.951421 where: bonds (distance) C4'-P energy: -181.753 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -197.647 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -251.506 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: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2773.857842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.857842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.857842 (E_RNA) where: Base-Base interactions energy: -1921.429 where: short stacking energy: -790.026 Base-Backbone interact. energy: -1.778 local terms energy: -850.650154 where: bonds (distance) C4'-P energy: -160.461 bonds (distance) P-C4' energy: -163.322 flat angles C4'-P-C4' energy: -186.087 flat angles P-C4'-P energy: -106.579 tors. eta vs tors. theta energy: -234.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2573.869120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.869120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.869120 (E_RNA) where: Base-Base interactions energy: -1753.460 where: short stacking energy: -753.468 Base-Backbone interact. energy: -2.994 local terms energy: -817.415938 where: bonds (distance) C4'-P energy: -156.191 bonds (distance) P-C4' energy: -147.996 flat angles C4'-P-C4' energy: -174.267 flat angles P-C4'-P energy: -112.452 tors. eta vs tors. theta energy: -226.510 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: 396 Temperature: 1.100000 Total energy: -2415.942142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.942142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.942142 (E_RNA) where: Base-Base interactions energy: -1674.770 where: short stacking energy: -675.246 Base-Backbone interact. energy: 1.439 local terms energy: -742.611090 where: bonds (distance) C4'-P energy: -147.142 bonds (distance) P-C4' energy: -148.100 flat angles C4'-P-C4' energy: -140.997 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -200.080 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: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1944.115598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.115598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.115598 (E_RNA) where: Base-Base interactions energy: -1291.854 where: short stacking energy: -550.864 Base-Backbone interact. energy: -3.238 local terms energy: -649.023529 where: bonds (distance) C4'-P energy: -114.567 bonds (distance) P-C4' energy: -157.519 flat angles C4'-P-C4' energy: -149.722 flat angles P-C4'-P energy: -99.250 tors. eta vs tors. theta energy: -127.966 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: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1823.158962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.158962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.158962 (E_RNA) where: Base-Base interactions energy: -1180.176 where: short stacking energy: -513.161 Base-Backbone interact. energy: -2.815 local terms energy: -640.167461 where: bonds (distance) C4'-P energy: -139.665 bonds (distance) P-C4' energy: -148.851 flat angles C4'-P-C4' energy: -129.508 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -130.106 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: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1299.495622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.495622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.495622 (E_RNA) where: Base-Base interactions energy: -762.851 where: short stacking energy: -328.583 Base-Backbone interact. energy: 0.669 local terms energy: -537.314432 where: bonds (distance) C4'-P energy: -138.492 bonds (distance) P-C4' energy: -149.353 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -75.270 tors. eta vs tors. theta energy: -32.812 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: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -966.327897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.327897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.327897 (E_RNA) where: Base-Base interactions energy: -510.537 where: short stacking energy: -295.988 Base-Backbone interact. energy: -1.731 local terms energy: -454.059608 where: bonds (distance) C4'-P energy: -120.984 bonds (distance) P-C4' energy: -149.576 flat angles C4'-P-C4' energy: -112.140 flat angles P-C4'-P energy: -62.137 tors. eta vs tors. theta energy: -9.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -733.631194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.631194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.631194 (E_RNA) where: Base-Base interactions energy: -333.607 where: short stacking energy: -215.579 Base-Backbone interact. energy: -0.128 local terms energy: -399.896876 where: bonds (distance) C4'-P energy: -121.107 bonds (distance) P-C4' energy: -132.739 flat angles C4'-P-C4' energy: -113.444 flat angles P-C4'-P energy: -47.076 tors. eta vs tors. theta energy: 14.469 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: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2904.759065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.759065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.759065 (E_RNA) where: Base-Base interactions energy: -2010.711 where: short stacking energy: -863.815 Base-Backbone interact. energy: 0.655 local terms energy: -894.702925 where: bonds (distance) C4'-P energy: -158.220 bonds (distance) P-C4' energy: -153.618 flat angles C4'-P-C4' energy: -198.043 flat angles P-C4'-P energy: -134.268 tors. eta vs tors. theta energy: -250.554 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: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2860.868826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.868826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.868826 (E_RNA) where: Base-Base interactions energy: -1965.747 where: short stacking energy: -843.019 Base-Backbone interact. energy: -3.254 local terms energy: -891.867809 where: bonds (distance) C4'-P energy: -167.654 bonds (distance) P-C4' energy: -151.301 flat angles C4'-P-C4' energy: -186.552 flat angles P-C4'-P energy: -131.905 tors. eta vs tors. theta energy: -254.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2756.879369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.879369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.879369 (E_RNA) where: Base-Base interactions energy: -1883.784 where: short stacking energy: -786.295 Base-Backbone interact. energy: -0.025 local terms energy: -873.069895 where: bonds (distance) C4'-P energy: -145.052 bonds (distance) P-C4' energy: -166.558 flat angles C4'-P-C4' energy: -190.600 flat angles P-C4'-P energy: -127.538 tors. eta vs tors. theta energy: -243.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2633.629919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.629919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.629919 (E_RNA) where: Base-Base interactions energy: -1815.366 where: short stacking energy: -778.537 Base-Backbone interact. energy: -2.067 local terms energy: -816.197009 where: bonds (distance) C4'-P energy: -153.807 bonds (distance) P-C4' energy: -150.119 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -93.106 tors. eta vs tors. theta energy: -239.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2431.886732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.886732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.886732 (E_RNA) where: Base-Base interactions energy: -1698.731 where: short stacking energy: -696.864 Base-Backbone interact. energy: 1.747 local terms energy: -734.901939 where: bonds (distance) C4'-P energy: -125.743 bonds (distance) P-C4' energy: -139.065 flat angles C4'-P-C4' energy: -171.586 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -202.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1938.322335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.322335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.322335 (E_RNA) where: Base-Base interactions energy: -1264.500 where: short stacking energy: -533.716 Base-Backbone interact. energy: -3.506 local terms energy: -670.316442 where: bonds (distance) C4'-P energy: -149.740 bonds (distance) P-C4' energy: -138.821 flat angles C4'-P-C4' energy: -154.053 flat angles P-C4'-P energy: -106.996 tors. eta vs tors. theta energy: -120.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1787.776825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.776825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.776825 (E_RNA) where: Base-Base interactions energy: -1140.641 where: short stacking energy: -528.806 Base-Backbone interact. energy: -3.324 local terms energy: -643.812096 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -138.565 flat angles C4'-P-C4' energy: -140.129 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -136.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1272.781656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.781656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.781656 (E_RNA) where: Base-Base interactions energy: -729.408 where: short stacking energy: -378.244 Base-Backbone interact. energy: -3.578 local terms energy: -539.796456 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -128.833 flat angles C4'-P-C4' energy: -137.349 flat angles P-C4'-P energy: -90.044 tors. eta vs tors. theta energy: -55.578 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: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -983.746240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.746240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.746240 (E_RNA) where: Base-Base interactions energy: -489.500 where: short stacking energy: -287.626 Base-Backbone interact. energy: 0.757 local terms energy: -495.002907 where: bonds (distance) C4'-P energy: -118.672 bonds (distance) P-C4' energy: -150.767 flat angles C4'-P-C4' energy: -137.999 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -31.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -738.075700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.075700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.075700 (E_RNA) where: Base-Base interactions energy: -305.063 where: short stacking energy: -223.834 Base-Backbone interact. energy: 0.184 local terms energy: -433.196821 where: bonds (distance) C4'-P energy: -113.576 bonds (distance) P-C4' energy: -143.357 flat angles C4'-P-C4' energy: -116.336 flat angles P-C4'-P energy: -64.447 tors. eta vs tors. theta energy: 4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2933.504909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.504909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.504909 (E_RNA) where: Base-Base interactions energy: -2018.323 where: short stacking energy: -858.654 Base-Backbone interact. energy: -1.894 local terms energy: -913.287766 where: bonds (distance) C4'-P energy: -164.430 bonds (distance) P-C4' energy: -163.263 flat angles C4'-P-C4' energy: -199.047 flat angles P-C4'-P energy: -126.065 tors. eta vs tors. theta energy: -260.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2858.727003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.727003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.727003 (E_RNA) where: Base-Base interactions energy: -1960.924 where: short stacking energy: -801.668 Base-Backbone interact. energy: -3.665 local terms energy: -894.137819 where: bonds (distance) C4'-P energy: -161.567 bonds (distance) P-C4' energy: -158.367 flat angles C4'-P-C4' energy: -197.064 flat angles P-C4'-P energy: -121.866 tors. eta vs tors. theta energy: -255.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2715.574690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.574690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.574690 (E_RNA) where: Base-Base interactions energy: -1867.646 where: short stacking energy: -785.031 Base-Backbone interact. energy: -4.875 local terms energy: -843.053974 where: bonds (distance) C4'-P energy: -163.978 bonds (distance) P-C4' energy: -134.767 flat angles C4'-P-C4' energy: -175.893 flat angles P-C4'-P energy: -123.378 tors. eta vs tors. theta energy: -245.038 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: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2635.785242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.785242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.785242 (E_RNA) where: Base-Base interactions energy: -1825.757 where: short stacking energy: -776.059 Base-Backbone interact. energy: -3.855 local terms energy: -806.172749 where: bonds (distance) C4'-P energy: -128.652 bonds (distance) P-C4' energy: -148.454 flat angles C4'-P-C4' energy: -178.604 flat angles P-C4'-P energy: -112.763 tors. eta vs tors. theta energy: -237.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2490.539996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.539996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.539996 (E_RNA) where: Base-Base interactions energy: -1689.225 where: short stacking energy: -688.509 Base-Backbone interact. energy: -2.887 local terms energy: -798.427585 where: bonds (distance) C4'-P energy: -154.589 bonds (distance) P-C4' energy: -170.509 flat angles C4'-P-C4' energy: -157.251 flat angles P-C4'-P energy: -112.866 tors. eta vs tors. theta energy: -203.213 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: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1970.934872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.934872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.934872 (E_RNA) where: Base-Base interactions energy: -1321.510 where: short stacking energy: -543.215 Base-Backbone interact. energy: -3.975 local terms energy: -645.450131 where: bonds (distance) C4'-P energy: -148.058 bonds (distance) P-C4' energy: -134.568 flat angles C4'-P-C4' energy: -141.641 flat angles P-C4'-P energy: -98.595 tors. eta vs tors. theta energy: -122.589 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: 398 Temperature: 1.200000 Total energy: -1783.616304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.616304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.616304 (E_RNA) where: Base-Base interactions energy: -1121.907 where: short stacking energy: -503.762 Base-Backbone interact. energy: -3.076 local terms energy: -658.634151 where: bonds (distance) C4'-P energy: -143.889 bonds (distance) P-C4' energy: -139.141 flat angles C4'-P-C4' energy: -160.212 flat angles P-C4'-P energy: -93.173 tors. eta vs tors. theta energy: -122.219 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: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1193.160272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.160272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.160272 (E_RNA) where: Base-Base interactions energy: -663.469 where: short stacking energy: -327.721 Base-Backbone interact. energy: -3.474 local terms energy: -526.217229 where: bonds (distance) C4'-P energy: -128.213 bonds (distance) P-C4' energy: -125.552 flat angles C4'-P-C4' energy: -153.877 flat angles P-C4'-P energy: -88.866 tors. eta vs tors. theta energy: -29.708 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: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -992.783181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.783181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.783181 (E_RNA) where: Base-Base interactions energy: -514.340 where: short stacking energy: -265.737 Base-Backbone interact. energy: 2.573 local terms energy: -481.016348 where: bonds (distance) C4'-P energy: -143.454 bonds (distance) P-C4' energy: -144.806 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -76.205 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -713.148092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.148092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.148092 (E_RNA) where: Base-Base interactions energy: -283.679 where: short stacking energy: -199.895 Base-Backbone interact. energy: 3.022 local terms energy: -432.491001 where: bonds (distance) C4'-P energy: -132.117 bonds (distance) P-C4' energy: -150.822 flat angles C4'-P-C4' energy: -128.442 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: 26.101 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: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2921.636070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.636070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.636070 (E_RNA) where: Base-Base interactions energy: -2026.486 where: short stacking energy: -840.405 Base-Backbone interact. energy: -4.227 local terms energy: -890.923714 where: bonds (distance) C4'-P energy: -157.382 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -189.629 flat angles P-C4'-P energy: -130.823 tors. eta vs tors. theta energy: -259.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2888.472828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.472828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.472828 (E_RNA) where: Base-Base interactions energy: -2021.567 where: short stacking energy: -843.463 Base-Backbone interact. energy: -3.956 local terms energy: -862.948985 where: bonds (distance) C4'-P energy: -163.378 bonds (distance) P-C4' energy: -155.087 flat angles C4'-P-C4' energy: -182.832 flat angles P-C4'-P energy: -113.688 tors. eta vs tors. theta energy: -247.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2750.840659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.840659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.840659 (E_RNA) where: Base-Base interactions energy: -1919.190 where: short stacking energy: -802.103 Base-Backbone interact. energy: -4.097 local terms energy: -827.553764 where: bonds (distance) C4'-P energy: -146.004 bonds (distance) P-C4' energy: -145.672 flat angles C4'-P-C4' energy: -182.265 flat angles P-C4'-P energy: -113.886 tors. eta vs tors. theta energy: -239.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2652.464046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.464046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.464046 (E_RNA) where: Base-Base interactions energy: -1803.003 where: short stacking energy: -784.386 Base-Backbone interact. energy: -4.944 local terms energy: -844.517207 where: bonds (distance) C4'-P energy: -170.048 bonds (distance) P-C4' energy: -147.085 flat angles C4'-P-C4' energy: -170.712 flat angles P-C4'-P energy: -116.182 tors. eta vs tors. theta energy: -240.491 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: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2459.275684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.275684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.275684 (E_RNA) where: Base-Base interactions energy: -1696.296 where: short stacking energy: -686.886 Base-Backbone interact. energy: -1.598 local terms energy: -761.381959 where: bonds (distance) C4'-P energy: -138.526 bonds (distance) P-C4' energy: -155.858 flat angles C4'-P-C4' energy: -174.435 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -185.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1987.566315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.566315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.566315 (E_RNA) where: Base-Base interactions energy: -1289.585 where: short stacking energy: -526.275 Base-Backbone interact. energy: -1.611 local terms energy: -696.370117 where: bonds (distance) C4'-P energy: -153.937 bonds (distance) P-C4' energy: -152.307 flat angles C4'-P-C4' energy: -159.905 flat angles P-C4'-P energy: -102.693 tors. eta vs tors. theta energy: -127.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1825.524346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.524346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.524346 (E_RNA) where: Base-Base interactions energy: -1193.124 where: short stacking energy: -520.357 Base-Backbone interact. energy: 1.490 local terms energy: -633.889998 where: bonds (distance) C4'-P energy: -112.286 bonds (distance) P-C4' energy: -143.423 flat angles C4'-P-C4' energy: -129.008 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -149.938 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: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1300.586577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.586577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.586577 (E_RNA) where: Base-Base interactions energy: -749.903 where: short stacking energy: -388.958 Base-Backbone interact. energy: 1.114 local terms energy: -551.797766 where: bonds (distance) C4'-P energy: -135.281 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -128.689 flat angles P-C4'-P energy: -82.931 tors. eta vs tors. theta energy: -56.402 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: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -899.027372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.027372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.027372 (E_RNA) where: Base-Base interactions energy: -436.036 where: short stacking energy: -250.248 Base-Backbone interact. energy: -2.745 local terms energy: -460.246055 where: bonds (distance) C4'-P energy: -141.587 bonds (distance) P-C4' energy: -134.797 flat angles C4'-P-C4' energy: -110.534 flat angles P-C4'-P energy: -79.119 tors. eta vs tors. theta energy: 5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -715.563090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.563090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.563090 (E_RNA) where: Base-Base interactions energy: -296.077 where: short stacking energy: -181.218 Base-Backbone interact. energy: 4.043 local terms energy: -423.529387 where: bonds (distance) C4'-P energy: -120.865 bonds (distance) P-C4' energy: -176.575 flat angles C4'-P-C4' energy: -110.510 flat angles P-C4'-P energy: -63.122 tors. eta vs tors. theta energy: 47.543 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: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2905.064626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.064626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.064626 (E_RNA) where: Base-Base interactions energy: -2026.670 where: short stacking energy: -842.681 Base-Backbone interact. energy: -1.082 local terms energy: -877.312556 where: bonds (distance) C4'-P energy: -147.586 bonds (distance) P-C4' energy: -165.935 flat angles C4'-P-C4' energy: -188.157 flat angles P-C4'-P energy: -125.369 tors. eta vs tors. theta energy: -250.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2888.593235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.593235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.593235 (E_RNA) where: Base-Base interactions energy: -2017.770 where: short stacking energy: -827.428 Base-Backbone interact. energy: 0.869 local terms energy: -871.692340 where: bonds (distance) C4'-P energy: -144.924 bonds (distance) P-C4' energy: -165.731 flat angles C4'-P-C4' energy: -195.548 flat angles P-C4'-P energy: -124.508 tors. eta vs tors. theta energy: -240.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2754.294808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.294808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.294808 (E_RNA) where: Base-Base interactions energy: -1896.121 where: short stacking energy: -814.652 Base-Backbone interact. energy: -3.783 local terms energy: -854.390422 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -166.646 flat angles C4'-P-C4' energy: -184.864 flat angles P-C4'-P energy: -124.168 tors. eta vs tors. theta energy: -249.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2632.597359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.597359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.597359 (E_RNA) where: Base-Base interactions energy: -1816.712 where: short stacking energy: -760.719 Base-Backbone interact. energy: -2.579 local terms energy: -813.306370 where: bonds (distance) C4'-P energy: -154.849 bonds (distance) P-C4' energy: -134.918 flat angles C4'-P-C4' energy: -181.620 flat angles P-C4'-P energy: -109.982 tors. eta vs tors. theta energy: -231.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2407.133507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.133507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.133507 (E_RNA) where: Base-Base interactions energy: -1653.188 where: short stacking energy: -670.816 Base-Backbone interact. energy: 0.754 local terms energy: -754.699811 where: bonds (distance) C4'-P energy: -153.549 bonds (distance) P-C4' energy: -131.177 flat angles C4'-P-C4' energy: -169.268 flat angles P-C4'-P energy: -119.267 tors. eta vs tors. theta energy: -181.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1995.792991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.792991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.792991 (E_RNA) where: Base-Base interactions energy: -1342.452 where: short stacking energy: -543.417 Base-Backbone interact. energy: 0.977 local terms energy: -654.317572 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -143.883 flat angles C4'-P-C4' energy: -142.424 flat angles P-C4'-P energy: -102.249 tors. eta vs tors. theta energy: -115.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1866.613599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.613599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.613599 (E_RNA) where: Base-Base interactions energy: -1243.700 where: short stacking energy: -544.292 Base-Backbone interact. energy: -2.858 local terms energy: -620.055881 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -129.320 flat angles C4'-P-C4' energy: -144.392 flat angles P-C4'-P energy: -104.284 tors. eta vs tors. theta energy: -122.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1322.974615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.974615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.974615 (E_RNA) where: Base-Base interactions energy: -782.717 where: short stacking energy: -382.065 Base-Backbone interact. energy: 2.041 local terms energy: -542.298553 where: bonds (distance) C4'-P energy: -119.978 bonds (distance) P-C4' energy: -152.338 flat angles C4'-P-C4' energy: -116.984 flat angles P-C4'-P energy: -93.510 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: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -849.929409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.929409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.929409 (E_RNA) where: Base-Base interactions energy: -404.463 where: short stacking energy: -228.016 Base-Backbone interact. energy: -3.125 local terms energy: -442.342392 where: bonds (distance) C4'-P energy: -119.032 bonds (distance) P-C4' energy: -150.546 flat angles C4'-P-C4' energy: -114.711 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -4.065 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: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -717.713482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.713482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.713482 (E_RNA) where: Base-Base interactions energy: -296.860 where: short stacking energy: -210.560 Base-Backbone interact. energy: -2.923 local terms energy: -417.930601 where: bonds (distance) C4'-P energy: -127.825 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -128.040 flat angles P-C4'-P energy: -59.903 tors. eta vs tors. theta energy: 33.332 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: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2931.307157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.307157 (E_RNA) where: Base-Base interactions energy: -2000.937 where: short stacking energy: -817.184 Base-Backbone interact. energy: -6.136 local terms energy: -924.233888 where: bonds (distance) C4'-P energy: -157.046 bonds (distance) P-C4' energy: -171.580 flat angles C4'-P-C4' energy: -195.199 flat angles P-C4'-P energy: -140.350 tors. eta vs tors. theta energy: -260.058 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: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2852.084508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.084508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.084508 (E_RNA) where: Base-Base interactions energy: -1958.717 where: short stacking energy: -804.100 Base-Backbone interact. energy: -2.919 local terms energy: -890.448287 where: bonds (distance) C4'-P energy: -177.660 bonds (distance) P-C4' energy: -157.107 flat angles C4'-P-C4' energy: -176.286 flat angles P-C4'-P energy: -129.387 tors. eta vs tors. theta energy: -250.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2753.199504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.199504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.199504 (E_RNA) where: Base-Base interactions energy: -1904.792 where: short stacking energy: -804.272 Base-Backbone interact. energy: -5.012 local terms energy: -843.394585 where: bonds (distance) C4'-P energy: -164.417 bonds (distance) P-C4' energy: -147.870 flat angles C4'-P-C4' energy: -181.643 flat angles P-C4'-P energy: -105.929 tors. eta vs tors. theta energy: -243.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2591.671646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.671646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.671646 (E_RNA) where: Base-Base interactions energy: -1790.004 where: short stacking energy: -758.402 Base-Backbone interact. energy: 0.391 local terms energy: -802.058868 where: bonds (distance) C4'-P energy: -148.242 bonds (distance) P-C4' energy: -146.340 flat angles C4'-P-C4' energy: -164.731 flat angles P-C4'-P energy: -117.041 tors. eta vs tors. theta energy: -225.706 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: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2389.202063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.202063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.202063 (E_RNA) where: Base-Base interactions energy: -1665.723 where: short stacking energy: -650.826 Base-Backbone interact. energy: -1.671 local terms energy: -721.808421 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -147.664 flat angles C4'-P-C4' energy: -154.450 flat angles P-C4'-P energy: -96.807 tors. eta vs tors. theta energy: -166.587 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: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2094.576842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.576842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.576842 (E_RNA) where: Base-Base interactions energy: -1434.632 where: short stacking energy: -613.380 Base-Backbone interact. energy: -3.776 local terms energy: -656.168889 where: bonds (distance) C4'-P energy: -124.832 bonds (distance) P-C4' energy: -137.140 flat angles C4'-P-C4' energy: -154.010 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -150.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1857.418468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.418468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.418468 (E_RNA) where: Base-Base interactions energy: -1227.627 where: short stacking energy: -529.030 Base-Backbone interact. energy: 1.591 local terms energy: -631.382920 where: bonds (distance) C4'-P energy: -128.762 bonds (distance) P-C4' energy: -133.821 flat angles C4'-P-C4' energy: -142.833 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -145.312 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: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1268.018378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.018378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.018378 (E_RNA) where: Base-Base interactions energy: -718.904 where: short stacking energy: -365.383 Base-Backbone interact. energy: -2.916 local terms energy: -546.197923 where: bonds (distance) C4'-P energy: -142.650 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -128.498 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -59.110 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: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -845.848298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.848298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.848298 (E_RNA) where: Base-Base interactions energy: -410.334 where: short stacking energy: -277.522 Base-Backbone interact. energy: -1.456 local terms energy: -434.057446 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -128.566 flat angles C4'-P-C4' energy: -106.595 flat angles P-C4'-P energy: -72.296 tors. eta vs tors. theta energy: 17.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -770.125738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.125738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.125738 (E_RNA) where: Base-Base interactions energy: -325.396 where: short stacking energy: -187.895 Base-Backbone interact. energy: -2.032 local terms energy: -442.697292 where: bonds (distance) C4'-P energy: -137.573 bonds (distance) P-C4' energy: -155.177 flat angles C4'-P-C4' energy: -108.126 flat angles P-C4'-P energy: -65.229 tors. eta vs tors. theta energy: 23.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2937.032316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.032316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.032316 (E_RNA) where: Base-Base interactions energy: -2043.782 where: short stacking energy: -833.833 Base-Backbone interact. energy: 1.774 local terms energy: -895.023718 where: bonds (distance) C4'-P energy: -151.142 bonds (distance) P-C4' energy: -158.547 flat angles C4'-P-C4' energy: -189.645 flat angles P-C4'-P energy: -128.129 tors. eta vs tors. theta energy: -267.561 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: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2807.112404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.112404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.112404 (E_RNA) where: Base-Base interactions energy: -1959.483 where: short stacking energy: -783.712 Base-Backbone interact. energy: -3.055 local terms energy: -844.573509 where: bonds (distance) C4'-P energy: -146.966 bonds (distance) P-C4' energy: -160.315 flat angles C4'-P-C4' energy: -177.077 flat angles P-C4'-P energy: -117.856 tors. eta vs tors. theta energy: -242.360 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: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2701.320450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.320450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.320450 (E_RNA) where: Base-Base interactions energy: -1845.821 where: short stacking energy: -769.309 Base-Backbone interact. energy: -4.069 local terms energy: -851.430303 where: bonds (distance) C4'-P energy: -155.292 bonds (distance) P-C4' energy: -155.781 flat angles C4'-P-C4' energy: -189.856 flat angles P-C4'-P energy: -116.208 tors. eta vs tors. theta energy: -234.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2555.252870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.252870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.252870 (E_RNA) where: Base-Base interactions energy: -1737.468 where: short stacking energy: -735.689 Base-Backbone interact. energy: -6.267 local terms energy: -811.518573 where: bonds (distance) C4'-P energy: -125.854 bonds (distance) P-C4' energy: -146.610 flat angles C4'-P-C4' energy: -188.653 flat angles P-C4'-P energy: -128.761 tors. eta vs tors. theta energy: -221.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2427.750819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.750819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.750819 (E_RNA) where: Base-Base interactions energy: -1654.619 where: short stacking energy: -646.921 Base-Backbone interact. energy: -5.167 local terms energy: -767.964745 where: bonds (distance) C4'-P energy: -153.615 bonds (distance) P-C4' energy: -166.629 flat angles C4'-P-C4' energy: -162.737 flat angles P-C4'-P energy: -100.594 tors. eta vs tors. theta energy: -184.390 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: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2156.744350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.744350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.744350 (E_RNA) where: Base-Base interactions energy: -1466.278 where: short stacking energy: -608.352 Base-Backbone interact. energy: -1.099 local terms energy: -689.367047 where: bonds (distance) C4'-P energy: -135.242 bonds (distance) P-C4' energy: -146.585 flat angles C4'-P-C4' energy: -155.928 flat angles P-C4'-P energy: -101.807 tors. eta vs tors. theta energy: -149.804 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: 402 Temperature: 1.200000 Total energy: -1842.193164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.193164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.193164 (E_RNA) where: Base-Base interactions energy: -1186.074 where: short stacking energy: -540.497 Base-Backbone interact. energy: 6.881 local terms energy: -663.000283 where: bonds (distance) C4'-P energy: -135.184 bonds (distance) P-C4' energy: -144.992 flat angles C4'-P-C4' energy: -145.563 flat angles P-C4'-P energy: -90.162 tors. eta vs tors. theta energy: -147.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1154.292682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.292682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.292682 (E_RNA) where: Base-Base interactions energy: -627.757 where: short stacking energy: -312.906 Base-Backbone interact. energy: 0.826 local terms energy: -527.362324 where: bonds (distance) C4'-P energy: -132.273 bonds (distance) P-C4' energy: -131.835 flat angles C4'-P-C4' energy: -141.019 flat angles P-C4'-P energy: -95.012 tors. eta vs tors. theta energy: -27.224 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: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -846.842749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.842749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.842749 (E_RNA) where: Base-Base interactions energy: -376.020 where: short stacking energy: -241.219 Base-Backbone interact. energy: -0.697 local terms energy: -470.125280 where: bonds (distance) C4'-P energy: -148.557 bonds (distance) P-C4' energy: -144.831 flat angles C4'-P-C4' energy: -123.297 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: 8.521 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: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -715.223846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.223846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.223846 (E_RNA) where: Base-Base interactions energy: -260.199 where: short stacking energy: -169.606 Base-Backbone interact. energy: 3.752 local terms energy: -458.776644 where: bonds (distance) C4'-P energy: -161.103 bonds (distance) P-C4' energy: -152.671 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -65.541 tors. eta vs tors. theta energy: 30.964 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: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2944.276409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.276409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.276409 (E_RNA) where: Base-Base interactions energy: -2030.242 where: short stacking energy: -842.026 Base-Backbone interact. energy: -2.328 local terms energy: -911.706617 where: bonds (distance) C4'-P energy: -181.693 bonds (distance) P-C4' energy: -162.732 flat angles C4'-P-C4' energy: -192.843 flat angles P-C4'-P energy: -127.287 tors. eta vs tors. theta energy: -247.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2797.253189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.253189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.253189 (E_RNA) where: Base-Base interactions energy: -1945.179 where: short stacking energy: -826.761 Base-Backbone interact. energy: -2.776 local terms energy: -849.298415 where: bonds (distance) C4'-P energy: -144.527 bonds (distance) P-C4' energy: -149.591 flat angles C4'-P-C4' energy: -188.905 flat angles P-C4'-P energy: -118.096 tors. eta vs tors. theta energy: -248.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2711.069544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.069544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.069544 (E_RNA) where: Base-Base interactions energy: -1879.864 where: short stacking energy: -780.347 Base-Backbone interact. energy: 2.187 local terms energy: -833.392803 where: bonds (distance) C4'-P energy: -165.588 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -181.035 flat angles P-C4'-P energy: -109.938 tors. eta vs tors. theta energy: -224.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2530.888347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.888347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.888347 (E_RNA) where: Base-Base interactions energy: -1719.213 where: short stacking energy: -737.189 Base-Backbone interact. energy: -1.635 local terms energy: -810.040934 where: bonds (distance) C4'-P energy: -150.611 bonds (distance) P-C4' energy: -132.728 flat angles C4'-P-C4' energy: -185.890 flat angles P-C4'-P energy: -128.037 tors. eta vs tors. theta energy: -212.775 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: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2460.075210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.075210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.075210 (E_RNA) where: Base-Base interactions energy: -1701.295 where: short stacking energy: -687.134 Base-Backbone interact. energy: 5.349 local terms energy: -764.129980 where: bonds (distance) C4'-P energy: -142.840 bonds (distance) P-C4' energy: -146.672 flat angles C4'-P-C4' energy: -168.806 flat angles P-C4'-P energy: -121.567 tors. eta vs tors. theta energy: -184.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2169.144987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.144987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.144987 (E_RNA) where: Base-Base interactions energy: -1479.159 where: short stacking energy: -617.212 Base-Backbone interact. energy: 3.070 local terms energy: -693.056277 where: bonds (distance) C4'-P energy: -142.555 bonds (distance) P-C4' energy: -144.849 flat angles C4'-P-C4' energy: -157.107 flat angles P-C4'-P energy: -109.378 tors. eta vs tors. theta energy: -139.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1837.059662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.059662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.059662 (E_RNA) where: Base-Base interactions energy: -1192.624 where: short stacking energy: -529.394 Base-Backbone interact. energy: -4.278 local terms energy: -640.157881 where: bonds (distance) C4'-P energy: -126.728 bonds (distance) P-C4' energy: -141.722 flat angles C4'-P-C4' energy: -152.829 flat angles P-C4'-P energy: -101.942 tors. eta vs tors. theta energy: -116.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1305.743320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.743320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.743320 (E_RNA) where: Base-Base interactions energy: -760.631 where: short stacking energy: -385.057 Base-Backbone interact. energy: 4.069 local terms energy: -549.180902 where: bonds (distance) C4'-P energy: -137.930 bonds (distance) P-C4' energy: -137.939 flat angles C4'-P-C4' energy: -124.696 flat angles P-C4'-P energy: -71.179 tors. eta vs tors. theta energy: -77.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -859.398540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.398540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.398540 (E_RNA) where: Base-Base interactions energy: -380.208 where: short stacking energy: -229.417 Base-Backbone interact. energy: -0.447 local terms energy: -478.743768 where: bonds (distance) C4'-P energy: -128.034 bonds (distance) P-C4' energy: -142.986 flat angles C4'-P-C4' energy: -112.200 flat angles P-C4'-P energy: -86.617 tors. eta vs tors. theta energy: -8.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -707.672663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.672663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.672663 (E_RNA) where: Base-Base interactions energy: -294.003 where: short stacking energy: -180.124 Base-Backbone interact. energy: -4.001 local terms energy: -409.668734 where: bonds (distance) C4'-P energy: -117.752 bonds (distance) P-C4' energy: -147.236 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: 12.954 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: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2914.391340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.391340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.391340 (E_RNA) where: Base-Base interactions energy: -2043.010 where: short stacking energy: -830.775 Base-Backbone interact. energy: -4.023 local terms energy: -867.358296 where: bonds (distance) C4'-P energy: -155.018 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -173.542 flat angles P-C4'-P energy: -142.148 tors. eta vs tors. theta energy: -251.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2814.291057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.291057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.291057 (E_RNA) where: Base-Base interactions energy: -1962.979 where: short stacking energy: -794.121 Base-Backbone interact. energy: -3.253 local terms energy: -848.058827 where: bonds (distance) C4'-P energy: -157.468 bonds (distance) P-C4' energy: -156.552 flat angles C4'-P-C4' energy: -172.494 flat angles P-C4'-P energy: -118.516 tors. eta vs tors. theta energy: -243.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2701.144353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.144353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.144353 (E_RNA) where: Base-Base interactions energy: -1866.229 where: short stacking energy: -785.074 Base-Backbone interact. energy: -2.390 local terms energy: -832.525582 where: bonds (distance) C4'-P energy: -140.780 bonds (distance) P-C4' energy: -170.499 flat angles C4'-P-C4' energy: -172.293 flat angles P-C4'-P energy: -110.589 tors. eta vs tors. theta energy: -238.365 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: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2553.575961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.575961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.575961 (E_RNA) where: Base-Base interactions energy: -1743.153 where: short stacking energy: -758.029 Base-Backbone interact. energy: -1.803 local terms energy: -808.620607 where: bonds (distance) C4'-P energy: -149.015 bonds (distance) P-C4' energy: -134.371 flat angles C4'-P-C4' energy: -181.630 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -223.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2463.305756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.305756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.305756 (E_RNA) where: Base-Base interactions energy: -1714.093 where: short stacking energy: -710.054 Base-Backbone interact. energy: 2.949 local terms energy: -752.162138 where: bonds (distance) C4'-P energy: -131.879 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -154.239 flat angles P-C4'-P energy: -112.923 tors. eta vs tors. theta energy: -192.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2140.076252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.076252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.076252 (E_RNA) where: Base-Base interactions energy: -1450.684 where: short stacking energy: -617.895 Base-Backbone interact. energy: 2.232 local terms energy: -691.624406 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -148.513 flat angles C4'-P-C4' energy: -168.489 flat angles P-C4'-P energy: -103.259 tors. eta vs tors. theta energy: -143.980 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1804.810569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.810569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.810569 (E_RNA) where: Base-Base interactions energy: -1152.063 where: short stacking energy: -509.184 Base-Backbone interact. energy: -3.172 local terms energy: -649.575073 where: bonds (distance) C4'-P energy: -126.563 bonds (distance) P-C4' energy: -159.244 flat angles C4'-P-C4' energy: -140.928 flat angles P-C4'-P energy: -82.176 tors. eta vs tors. theta energy: -140.664 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: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1212.824799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.824799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.824799 (E_RNA) where: Base-Base interactions energy: -660.484 where: short stacking energy: -330.405 Base-Backbone interact. energy: 0.814 local terms energy: -553.155543 where: bonds (distance) C4'-P energy: -143.818 bonds (distance) P-C4' energy: -152.323 flat angles C4'-P-C4' energy: -127.315 flat angles P-C4'-P energy: -77.941 tors. eta vs tors. theta energy: -51.758 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -897.746485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.746485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.746485 (E_RNA) where: Base-Base interactions energy: -415.836 where: short stacking energy: -253.982 Base-Backbone interact. energy: -3.064 local terms energy: -478.845735 where: bonds (distance) C4'-P energy: -126.830 bonds (distance) P-C4' energy: -142.778 flat angles C4'-P-C4' energy: -138.509 flat angles P-C4'-P energy: -74.370 tors. eta vs tors. theta energy: 3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -692.583754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.583754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.583754 (E_RNA) where: Base-Base interactions energy: -290.274 where: short stacking energy: -190.234 Base-Backbone interact. energy: 0.204 local terms energy: -402.514291 where: bonds (distance) C4'-P energy: -132.414 bonds (distance) P-C4' energy: -127.801 flat angles C4'-P-C4' energy: -107.763 flat angles P-C4'-P energy: -48.882 tors. eta vs tors. theta energy: 14.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2942.056053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.056053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.056053 (E_RNA) where: Base-Base interactions energy: -2061.074 where: short stacking energy: -867.029 Base-Backbone interact. energy: -3.393 local terms energy: -877.588410 where: bonds (distance) C4'-P energy: -146.011 bonds (distance) P-C4' energy: -167.340 flat angles C4'-P-C4' energy: -187.394 flat angles P-C4'-P energy: -119.949 tors. eta vs tors. theta energy: -256.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2840.597720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.597720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.597720 (E_RNA) where: Base-Base interactions energy: -1992.326 where: short stacking energy: -811.506 Base-Backbone interact. energy: 5.792 local terms energy: -854.063662 where: bonds (distance) C4'-P energy: -152.893 bonds (distance) P-C4' energy: -148.706 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -124.508 tors. eta vs tors. theta energy: -244.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2742.399473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.399473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.399473 (E_RNA) where: Base-Base interactions energy: -1901.538 where: short stacking energy: -784.288 Base-Backbone interact. energy: -6.584 local terms energy: -834.277501 where: bonds (distance) C4'-P energy: -150.005 bonds (distance) P-C4' energy: -157.301 flat angles C4'-P-C4' energy: -173.898 flat angles P-C4'-P energy: -122.010 tors. eta vs tors. theta energy: -231.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2580.271072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.271072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.271072 (E_RNA) where: Base-Base interactions energy: -1753.228 where: short stacking energy: -745.645 Base-Backbone interact. energy: -5.910 local terms energy: -821.132924 where: bonds (distance) C4'-P energy: -165.941 bonds (distance) P-C4' energy: -145.388 flat angles C4'-P-C4' energy: -174.850 flat angles P-C4'-P energy: -106.042 tors. eta vs tors. theta energy: -228.911 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: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2405.814489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.814489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.814489 (E_RNA) where: Base-Base interactions energy: -1645.056 where: short stacking energy: -682.807 Base-Backbone interact. energy: 3.869 local terms energy: -764.627565 where: bonds (distance) C4'-P energy: -160.549 bonds (distance) P-C4' energy: -137.911 flat angles C4'-P-C4' energy: -166.772 flat angles P-C4'-P energy: -106.075 tors. eta vs tors. theta energy: -193.320 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: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2178.782156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.782156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.782156 (E_RNA) where: Base-Base interactions energy: -1503.894 where: short stacking energy: -609.274 Base-Backbone interact. energy: -7.654 local terms energy: -667.234824 where: bonds (distance) C4'-P energy: -138.655 bonds (distance) P-C4' energy: -120.045 flat angles C4'-P-C4' energy: -153.678 flat angles P-C4'-P energy: -108.681 tors. eta vs tors. theta energy: -146.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1850.108206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.108206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.108206 (E_RNA) where: Base-Base interactions energy: -1224.418 where: short stacking energy: -507.996 Base-Backbone interact. energy: -1.670 local terms energy: -624.019629 where: bonds (distance) C4'-P energy: -127.329 bonds (distance) P-C4' energy: -145.072 flat angles C4'-P-C4' energy: -147.992 flat angles P-C4'-P energy: -81.825 tors. eta vs tors. theta energy: -121.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1230.223230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.223230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.223230 (E_RNA) where: Base-Base interactions energy: -747.931 where: short stacking energy: -336.087 Base-Backbone interact. energy: -0.639 local terms energy: -481.653851 where: bonds (distance) C4'-P energy: -119.041 bonds (distance) P-C4' energy: -145.695 flat angles C4'-P-C4' energy: -131.779 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: -13.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -910.037205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.037205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.037205 (E_RNA) where: Base-Base interactions energy: -449.055 where: short stacking energy: -261.761 Base-Backbone interact. energy: 2.903 local terms energy: -463.885435 where: bonds (distance) C4'-P energy: -135.605 bonds (distance) P-C4' energy: -143.020 flat angles C4'-P-C4' energy: -130.630 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: 18.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -716.128754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.128754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.128754 (E_RNA) where: Base-Base interactions energy: -289.851 where: short stacking energy: -191.448 Base-Backbone interact. energy: -3.529 local terms energy: -422.748448 where: bonds (distance) C4'-P energy: -130.279 bonds (distance) P-C4' energy: -139.249 flat angles C4'-P-C4' energy: -99.144 flat angles P-C4'-P energy: -76.201 tors. eta vs tors. theta energy: 22.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2883.377373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.377373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.377373 (E_RNA) where: Base-Base interactions energy: -2013.665 where: short stacking energy: -831.914 Base-Backbone interact. energy: -3.631 local terms energy: -866.081470 where: bonds (distance) C4'-P energy: -157.866 bonds (distance) P-C4' energy: -166.009 flat angles C4'-P-C4' energy: -187.357 flat angles P-C4'-P energy: -110.808 tors. eta vs tors. theta energy: -244.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2859.398989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.398989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.398989 (E_RNA) where: Base-Base interactions energy: -2003.426 where: short stacking energy: -842.244 Base-Backbone interact. energy: 1.575 local terms energy: -857.547865 where: bonds (distance) C4'-P energy: -143.120 bonds (distance) P-C4' energy: -173.363 flat angles C4'-P-C4' energy: -181.281 flat angles P-C4'-P energy: -110.299 tors. eta vs tors. theta energy: -249.484 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: 406 Temperature: 1.000000 Total energy: -2758.495666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.495666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.495666 (E_RNA) where: Base-Base interactions energy: -1920.741 where: short stacking energy: -799.296 Base-Backbone interact. energy: -3.311 local terms energy: -834.443793 where: bonds (distance) C4'-P energy: -157.811 bonds (distance) P-C4' energy: -158.167 flat angles C4'-P-C4' energy: -173.775 flat angles P-C4'-P energy: -112.188 tors. eta vs tors. theta energy: -232.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2562.746043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.746043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.746043 (E_RNA) where: Base-Base interactions energy: -1759.437 where: short stacking energy: -766.814 Base-Backbone interact. energy: -2.659 local terms energy: -800.649678 where: bonds (distance) C4'-P energy: -142.253 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -170.539 flat angles P-C4'-P energy: -103.210 tors. eta vs tors. theta energy: -228.746 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: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2347.010590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.010590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.010590 (E_RNA) where: Base-Base interactions energy: -1625.345 where: short stacking energy: -622.188 Base-Backbone interact. energy: -0.366 local terms energy: -721.300025 where: bonds (distance) C4'-P energy: -148.401 bonds (distance) P-C4' energy: -159.266 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -95.964 tors. eta vs tors. theta energy: -161.056 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2179.139195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.139195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.139195 (E_RNA) where: Base-Base interactions energy: -1462.569 where: short stacking energy: -647.804 Base-Backbone interact. energy: -2.513 local terms energy: -714.057193 where: bonds (distance) C4'-P energy: -134.755 bonds (distance) P-C4' energy: -139.591 flat angles C4'-P-C4' energy: -158.195 flat angles P-C4'-P energy: -114.228 tors. eta vs tors. theta energy: -167.288 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: 406 Temperature: 1.200000 Total energy: -1883.004766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.004766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.004766 (E_RNA) where: Base-Base interactions energy: -1228.355 where: short stacking energy: -547.064 Base-Backbone interact. energy: -2.990 local terms energy: -651.659895 where: bonds (distance) C4'-P energy: -124.700 bonds (distance) P-C4' energy: -137.468 flat angles C4'-P-C4' energy: -147.657 flat angles P-C4'-P energy: -104.206 tors. eta vs tors. theta energy: -137.629 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: 8, replica: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1330.761011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.761011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.761011 (E_RNA) where: Base-Base interactions energy: -747.075 where: short stacking energy: -362.145 Base-Backbone interact. energy: -2.700 local terms energy: -580.985862 where: bonds (distance) C4'-P energy: -128.418 bonds (distance) P-C4' energy: -167.921 flat angles C4'-P-C4' energy: -128.403 flat angles P-C4'-P energy: -103.326 tors. eta vs tors. theta energy: -52.917 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: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -882.176824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.176824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.176824 (E_RNA) where: Base-Base interactions energy: -436.694 where: short stacking energy: -238.876 Base-Backbone interact. energy: -1.198 local terms energy: -444.284134 where: bonds (distance) C4'-P energy: -135.723 bonds (distance) P-C4' energy: -120.012 flat angles C4'-P-C4' energy: -117.514 flat angles P-C4'-P energy: -68.914 tors. eta vs tors. theta energy: -2.121 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: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -786.566483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.566483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.566483 (E_RNA) where: Base-Base interactions energy: -334.839 where: short stacking energy: -217.800 Base-Backbone interact. energy: -0.579 local terms energy: -451.148464 where: bonds (distance) C4'-P energy: -133.867 bonds (distance) P-C4' energy: -138.863 flat angles C4'-P-C4' energy: -111.454 flat angles P-C4'-P energy: -81.022 tors. eta vs tors. theta energy: 14.058 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: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2914.558844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.558844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.558844 (E_RNA) where: Base-Base interactions energy: -2047.535 where: short stacking energy: -842.582 Base-Backbone interact. energy: -6.768 local terms energy: -860.255325 where: bonds (distance) C4'-P energy: -143.559 bonds (distance) P-C4' energy: -158.548 flat angles C4'-P-C4' energy: -185.171 flat angles P-C4'-P energy: -125.748 tors. eta vs tors. theta energy: -247.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2847.698027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.698027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.698027 (E_RNA) where: Base-Base interactions energy: -1974.453 where: short stacking energy: -845.921 Base-Backbone interact. energy: -1.429 local terms energy: -871.816151 where: bonds (distance) C4'-P energy: -158.484 bonds (distance) P-C4' energy: -163.004 flat angles C4'-P-C4' energy: -174.589 flat angles P-C4'-P energy: -123.447 tors. eta vs tors. theta energy: -252.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2738.130392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.130392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.130392 (E_RNA) where: Base-Base interactions energy: -1919.670 where: short stacking energy: -831.147 Base-Backbone interact. energy: 3.296 local terms energy: -821.755972 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -152.471 flat angles C4'-P-C4' energy: -181.356 flat angles P-C4'-P energy: -113.629 tors. eta vs tors. theta energy: -244.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2604.897105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.897105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.897105 (E_RNA) where: Base-Base interactions energy: -1782.135 where: short stacking energy: -771.472 Base-Backbone interact. energy: -2.131 local terms energy: -820.631904 where: bonds (distance) C4'-P energy: -140.535 bonds (distance) P-C4' energy: -150.178 flat angles C4'-P-C4' energy: -176.881 flat angles P-C4'-P energy: -129.301 tors. eta vs tors. theta energy: -223.737 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: 407 Temperature: 1.100000 Total energy: -2458.057626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.057626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.057626 (E_RNA) where: Base-Base interactions energy: -1721.552 where: short stacking energy: -722.134 Base-Backbone interact. energy: -3.687 local terms energy: -732.818222 where: bonds (distance) C4'-P energy: -125.415 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -172.155 flat angles P-C4'-P energy: -104.519 tors. eta vs tors. theta energy: -198.230 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: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2172.546148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.546148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.546148 (E_RNA) where: Base-Base interactions energy: -1452.964 where: short stacking energy: -609.765 Base-Backbone interact. energy: -6.571 local terms energy: -713.010475 where: bonds (distance) C4'-P energy: -131.921 bonds (distance) P-C4' energy: -160.433 flat angles C4'-P-C4' energy: -165.007 flat angles P-C4'-P energy: -79.615 tors. eta vs tors. theta energy: -176.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1936.064373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.064373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.064373 (E_RNA) where: Base-Base interactions energy: -1283.254 where: short stacking energy: -571.862 Base-Backbone interact. energy: -1.892 local terms energy: -650.918379 where: bonds (distance) C4'-P energy: -129.564 bonds (distance) P-C4' energy: -134.374 flat angles C4'-P-C4' energy: -144.182 flat angles P-C4'-P energy: -101.806 tors. eta vs tors. theta energy: -140.992 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: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1248.961354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.961354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.961354 (E_RNA) where: Base-Base interactions energy: -715.916 where: short stacking energy: -358.520 Base-Backbone interact. energy: -0.754 local terms energy: -532.291197 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -154.825 flat angles C4'-P-C4' energy: -125.345 flat angles P-C4'-P energy: -80.105 tors. eta vs tors. theta energy: -52.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -890.983787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.983787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.983787 (E_RNA) where: Base-Base interactions energy: -421.740 where: short stacking energy: -245.484 Base-Backbone interact. energy: 0.151 local terms energy: -469.394636 where: bonds (distance) C4'-P energy: -144.057 bonds (distance) P-C4' energy: -150.840 flat angles C4'-P-C4' energy: -115.527 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: 4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -733.822054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.822054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.822054 (E_RNA) where: Base-Base interactions energy: -317.651 where: short stacking energy: -209.915 Base-Backbone interact. energy: 3.545 local terms energy: -419.716120 where: bonds (distance) C4'-P energy: -128.481 bonds (distance) P-C4' energy: -137.032 flat angles C4'-P-C4' energy: -112.399 flat angles P-C4'-P energy: -72.587 tors. eta vs tors. theta energy: 30.783 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: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2927.153645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.153645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.153645 (E_RNA) where: Base-Base interactions energy: -2034.864 where: short stacking energy: -856.523 Base-Backbone interact. energy: -2.276 local terms energy: -890.013902 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -176.443 flat angles C4'-P-C4' energy: -189.543 flat angles P-C4'-P energy: -121.606 tors. eta vs tors. theta energy: -255.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2869.393660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.393660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.393660 (E_RNA) where: Base-Base interactions energy: -1990.436 where: short stacking energy: -830.585 Base-Backbone interact. energy: 0.447 local terms energy: -879.405314 where: bonds (distance) C4'-P energy: -150.619 bonds (distance) P-C4' energy: -161.599 flat angles C4'-P-C4' energy: -194.005 flat angles P-C4'-P energy: -127.090 tors. eta vs tors. theta energy: -246.092 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: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2721.282658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.282658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.282658 (E_RNA) where: Base-Base interactions energy: -1872.995 where: short stacking energy: -781.241 Base-Backbone interact. energy: -1.727 local terms energy: -846.560982 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -162.358 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -126.139 tors. eta vs tors. theta energy: -231.786 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: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2549.571025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.571025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.571025 (E_RNA) where: Base-Base interactions energy: -1742.846 where: short stacking energy: -734.336 Base-Backbone interact. energy: 0.003 local terms energy: -806.727845 where: bonds (distance) C4'-P energy: -145.003 bonds (distance) P-C4' energy: -147.099 flat angles C4'-P-C4' energy: -170.034 flat angles P-C4'-P energy: -128.575 tors. eta vs tors. theta energy: -216.017 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: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2469.792394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.792394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.792394 (E_RNA) where: Base-Base interactions energy: -1685.877 where: short stacking energy: -705.715 Base-Backbone interact. energy: 6.880 local terms energy: -790.795341 where: bonds (distance) C4'-P energy: -163.175 bonds (distance) P-C4' energy: -163.635 flat angles C4'-P-C4' energy: -164.787 flat angles P-C4'-P energy: -101.770 tors. eta vs tors. theta energy: -197.428 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: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2150.334595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.334595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.334595 (E_RNA) where: Base-Base interactions energy: -1466.367 where: short stacking energy: -617.852 Base-Backbone interact. energy: -4.543 local terms energy: -679.424912 where: bonds (distance) C4'-P energy: -139.998 bonds (distance) P-C4' energy: -127.367 flat angles C4'-P-C4' energy: -150.485 flat angles P-C4'-P energy: -100.111 tors. eta vs tors. theta energy: -161.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1939.377626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.377626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.377626 (E_RNA) where: Base-Base interactions energy: -1260.486 where: short stacking energy: -580.442 Base-Backbone interact. energy: 2.940 local terms energy: -681.830714 where: bonds (distance) C4'-P energy: -141.647 bonds (distance) P-C4' energy: -128.979 flat angles C4'-P-C4' energy: -156.517 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -144.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1263.411548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.411548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.411548 (E_RNA) where: Base-Base interactions energy: -722.476 where: short stacking energy: -372.589 Base-Backbone interact. energy: -0.290 local terms energy: -540.645538 where: bonds (distance) C4'-P energy: -132.825 bonds (distance) P-C4' energy: -120.234 flat angles C4'-P-C4' energy: -126.626 flat angles P-C4'-P energy: -100.890 tors. eta vs tors. theta energy: -60.070 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: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -851.048080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.048080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.048080 (E_RNA) where: Base-Base interactions energy: -395.026 where: short stacking energy: -229.165 Base-Backbone interact. energy: 2.069 local terms energy: -458.090927 where: bonds (distance) C4'-P energy: -114.406 bonds (distance) P-C4' energy: -147.710 flat angles C4'-P-C4' energy: -140.799 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: 11.281 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: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -709.171783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.171783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.171783 (E_RNA) where: Base-Base interactions energy: -310.094 where: short stacking energy: -194.008 Base-Backbone interact. energy: 3.010 local terms energy: -402.088045 where: bonds (distance) C4'-P energy: -127.967 bonds (distance) P-C4' energy: -117.579 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: 11.668 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2931.813991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.813991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.813991 (E_RNA) where: Base-Base interactions energy: -2026.837 where: short stacking energy: -872.677 Base-Backbone interact. energy: 1.167 local terms energy: -906.144428 where: bonds (distance) C4'-P energy: -158.285 bonds (distance) P-C4' energy: -178.272 flat angles C4'-P-C4' energy: -188.188 flat angles P-C4'-P energy: -124.764 tors. eta vs tors. theta energy: -256.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2793.947892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.947892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.947892 (E_RNA) where: Base-Base interactions energy: -1976.158 where: short stacking energy: -794.264 Base-Backbone interact. energy: -1.964 local terms energy: -815.825875 where: bonds (distance) C4'-P energy: -131.248 bonds (distance) P-C4' energy: -151.677 flat angles C4'-P-C4' energy: -180.307 flat angles P-C4'-P energy: -118.026 tors. eta vs tors. theta energy: -234.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2800.958174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.958174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.958174 (E_RNA) where: Base-Base interactions energy: -1914.993 where: short stacking energy: -779.868 Base-Backbone interact. energy: -0.141 local terms energy: -885.823883 where: bonds (distance) C4'-P energy: -176.477 bonds (distance) P-C4' energy: -166.793 flat angles C4'-P-C4' energy: -189.088 flat angles P-C4'-P energy: -119.660 tors. eta vs tors. theta energy: -233.805 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: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2505.546265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.546265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.546265 (E_RNA) where: Base-Base interactions energy: -1738.606 where: short stacking energy: -700.596 Base-Backbone interact. energy: -0.481 local terms energy: -766.459581 where: bonds (distance) C4'-P energy: -154.699 bonds (distance) P-C4' energy: -155.848 flat angles C4'-P-C4' energy: -158.837 flat angles P-C4'-P energy: -100.601 tors. eta vs tors. theta energy: -196.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2510.266183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.266183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.266183 (E_RNA) where: Base-Base interactions energy: -1735.611 where: short stacking energy: -719.760 Base-Backbone interact. energy: 1.724 local terms energy: -776.379363 where: bonds (distance) C4'-P energy: -149.181 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -170.255 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -217.029 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: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2135.977040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.977040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.977040 (E_RNA) where: Base-Base interactions energy: -1461.120 where: short stacking energy: -607.448 Base-Backbone interact. energy: -2.119 local terms energy: -672.737873 where: bonds (distance) C4'-P energy: -142.313 bonds (distance) P-C4' energy: -129.302 flat angles C4'-P-C4' energy: -148.206 flat angles P-C4'-P energy: -107.093 tors. eta vs tors. theta energy: -145.824 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: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1913.613177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.613177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.613177 (E_RNA) where: Base-Base interactions energy: -1243.714 where: short stacking energy: -548.900 Base-Backbone interact. energy: -3.850 local terms energy: -666.049943 where: bonds (distance) C4'-P energy: -123.648 bonds (distance) P-C4' energy: -152.170 flat angles C4'-P-C4' energy: -150.115 flat angles P-C4'-P energy: -99.005 tors. eta vs tors. theta energy: -141.113 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: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1146.647110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.647110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.647110 (E_RNA) where: Base-Base interactions energy: -612.867 where: short stacking energy: -320.786 Base-Backbone interact. energy: -3.530 local terms energy: -530.249749 where: bonds (distance) C4'-P energy: -133.566 bonds (distance) P-C4' energy: -148.278 flat angles C4'-P-C4' energy: -122.855 flat angles P-C4'-P energy: -94.068 tors. eta vs tors. theta energy: -31.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -828.345565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.345565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.345565 (E_RNA) where: Base-Base interactions energy: -370.524 where: short stacking energy: -200.851 Base-Backbone interact. energy: -5.039 local terms energy: -452.782855 where: bonds (distance) C4'-P energy: -149.762 bonds (distance) P-C4' energy: -142.204 flat angles C4'-P-C4' energy: -99.469 flat angles P-C4'-P energy: -89.343 tors. eta vs tors. theta energy: 27.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -752.918537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.918537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.918537 (E_RNA) where: Base-Base interactions energy: -310.777 where: short stacking energy: -217.041 Base-Backbone interact. energy: -0.427 local terms energy: -441.714499 where: bonds (distance) C4'-P energy: -110.471 bonds (distance) P-C4' energy: -152.475 flat angles C4'-P-C4' energy: -132.326 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: 16.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2930.761926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.761926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.761926 (E_RNA) where: Base-Base interactions energy: -2029.733 where: short stacking energy: -867.983 Base-Backbone interact. energy: -0.740 local terms energy: -900.289024 where: bonds (distance) C4'-P energy: -172.172 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -186.016 flat angles P-C4'-P energy: -125.550 tors. eta vs tors. theta energy: -254.818 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: 410 Temperature: 0.950000 Total energy: -2829.954612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.954612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.954612 (E_RNA) where: Base-Base interactions energy: -1976.664 where: short stacking energy: -824.493 Base-Backbone interact. energy: -2.366 local terms energy: -850.924552 where: bonds (distance) C4'-P energy: -147.044 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -181.224 flat angles P-C4'-P energy: -130.300 tors. eta vs tors. theta energy: -239.639 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: 410 Temperature: 1.000000 Total energy: -2773.352842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.352842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.352842 (E_RNA) where: Base-Base interactions energy: -1937.048 where: short stacking energy: -770.238 Base-Backbone interact. energy: -3.066 local terms energy: -833.238604 where: bonds (distance) C4'-P energy: -160.496 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -182.718 flat angles P-C4'-P energy: -104.544 tors. eta vs tors. theta energy: -237.826 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: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2483.080329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.080329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.080329 (E_RNA) where: Base-Base interactions energy: -1701.638 where: short stacking energy: -678.757 Base-Backbone interact. energy: -2.485 local terms energy: -778.957639 where: bonds (distance) C4'-P energy: -158.366 bonds (distance) P-C4' energy: -153.013 flat angles C4'-P-C4' energy: -170.592 flat angles P-C4'-P energy: -99.507 tors. eta vs tors. theta energy: -197.480 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: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2479.057843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.057843 (E_RNA) where: Base-Base interactions energy: -1725.641 where: short stacking energy: -719.988 Base-Backbone interact. energy: -2.612 local terms energy: -750.804972 where: bonds (distance) C4'-P energy: -144.054 bonds (distance) P-C4' energy: -140.152 flat angles C4'-P-C4' energy: -144.966 flat angles P-C4'-P energy: -114.684 tors. eta vs tors. theta energy: -206.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2151.586938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.586938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.586938 (E_RNA) where: Base-Base interactions energy: -1452.702 where: short stacking energy: -620.886 Base-Backbone interact. energy: -1.937 local terms energy: -696.947921 where: bonds (distance) C4'-P energy: -123.053 bonds (distance) P-C4' energy: -160.654 flat angles C4'-P-C4' energy: -156.549 flat angles P-C4'-P energy: -90.374 tors. eta vs tors. theta energy: -166.318 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: 410 Temperature: 1.200000 Total energy: -1984.513294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.513294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.513294 (E_RNA) where: Base-Base interactions energy: -1297.519 where: short stacking energy: -567.329 Base-Backbone interact. energy: 0.172 local terms energy: -687.165692 where: bonds (distance) C4'-P energy: -147.964 bonds (distance) P-C4' energy: -151.036 flat angles C4'-P-C4' energy: -149.593 flat angles P-C4'-P energy: -87.975 tors. eta vs tors. theta energy: -150.598 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: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1131.740291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.740291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.740291 (E_RNA) where: Base-Base interactions energy: -616.033 where: short stacking energy: -322.568 Base-Backbone interact. energy: 6.007 local terms energy: -521.715112 where: bonds (distance) C4'-P energy: -130.416 bonds (distance) P-C4' energy: -141.323 flat angles C4'-P-C4' energy: -149.467 flat angles P-C4'-P energy: -76.939 tors. eta vs tors. theta energy: -23.569 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: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -890.745509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.745509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.745509 (E_RNA) where: Base-Base interactions energy: -402.544 where: short stacking energy: -255.809 Base-Backbone interact. energy: -2.730 local terms energy: -485.471711 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -147.506 flat angles C4'-P-C4' energy: -136.245 flat angles P-C4'-P energy: -86.043 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -747.997552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.997552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.997552 (E_RNA) where: Base-Base interactions energy: -275.780 where: short stacking energy: -178.755 Base-Backbone interact. energy: 1.744 local terms energy: -473.961852 where: bonds (distance) C4'-P energy: -137.987 bonds (distance) P-C4' energy: -146.575 flat angles C4'-P-C4' energy: -128.378 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: 5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2935.553162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.553162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.553162 (E_RNA) where: Base-Base interactions energy: -2037.578 where: short stacking energy: -859.615 Base-Backbone interact. energy: -0.733 local terms energy: -897.241777 where: bonds (distance) C4'-P energy: -156.608 bonds (distance) P-C4' energy: -168.071 flat angles C4'-P-C4' energy: -183.807 flat angles P-C4'-P energy: -123.815 tors. eta vs tors. theta energy: -264.941 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: 2, replica: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2820.513845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.513845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.513845 (E_RNA) where: Base-Base interactions energy: -1951.327 where: short stacking energy: -793.315 Base-Backbone interact. energy: 1.259 local terms energy: -870.446346 where: bonds (distance) C4'-P energy: -161.324 bonds (distance) P-C4' energy: -167.099 flat angles C4'-P-C4' energy: -190.189 flat angles P-C4'-P energy: -121.309 tors. eta vs tors. theta energy: -230.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2742.355673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.355673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.355673 (E_RNA) where: Base-Base interactions energy: -1901.191 where: short stacking energy: -796.276 Base-Backbone interact. energy: 3.930 local terms energy: -845.094628 where: bonds (distance) C4'-P energy: -158.757 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -183.697 flat angles P-C4'-P energy: -117.993 tors. eta vs tors. theta energy: -229.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2584.000391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.000391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.000391 (E_RNA) where: Base-Base interactions energy: -1770.504 where: short stacking energy: -751.496 Base-Backbone interact. energy: -1.674 local terms energy: -811.823126 where: bonds (distance) C4'-P energy: -152.978 bonds (distance) P-C4' energy: -159.863 flat angles C4'-P-C4' energy: -167.823 flat angles P-C4'-P energy: -103.833 tors. eta vs tors. theta energy: -227.327 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: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2399.490131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.490131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.490131 (E_RNA) where: Base-Base interactions energy: -1664.752 where: short stacking energy: -664.384 Base-Backbone interact. energy: -3.924 local terms energy: -730.814358 where: bonds (distance) C4'-P energy: -151.797 bonds (distance) P-C4' energy: -149.982 flat angles C4'-P-C4' energy: -153.935 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -185.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2180.617804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.617804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.617804 (E_RNA) where: Base-Base interactions energy: -1456.458 where: short stacking energy: -625.129 Base-Backbone interact. energy: -4.706 local terms energy: -719.453932 where: bonds (distance) C4'-P energy: -131.479 bonds (distance) P-C4' energy: -150.738 flat angles C4'-P-C4' energy: -178.196 flat angles P-C4'-P energy: -108.697 tors. eta vs tors. theta energy: -150.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1886.662742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.662742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.662742 (E_RNA) where: Base-Base interactions energy: -1251.452 where: short stacking energy: -548.894 Base-Backbone interact. energy: -2.472 local terms energy: -632.738515 where: bonds (distance) C4'-P energy: -119.564 bonds (distance) P-C4' energy: -126.403 flat angles C4'-P-C4' energy: -155.005 flat angles P-C4'-P energy: -91.520 tors. eta vs tors. theta energy: -140.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1194.943100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.943100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.943100 (E_RNA) where: Base-Base interactions energy: -658.390 where: short stacking energy: -342.843 Base-Backbone interact. energy: -0.359 local terms energy: -536.193911 where: bonds (distance) C4'-P energy: -143.462 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -143.691 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -43.551 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: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -920.173930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.173930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.173930 (E_RNA) where: Base-Base interactions energy: -455.403 where: short stacking energy: -264.725 Base-Backbone interact. energy: 5.941 local terms energy: -470.711485 where: bonds (distance) C4'-P energy: -127.166 bonds (distance) P-C4' energy: -149.972 flat angles C4'-P-C4' energy: -106.069 flat angles P-C4'-P energy: -69.660 tors. eta vs tors. theta energy: -17.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -729.540166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.540166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.540166 (E_RNA) where: Base-Base interactions energy: -336.054 where: short stacking energy: -210.154 Base-Backbone interact. energy: 11.388 local terms energy: -404.874666 where: bonds (distance) C4'-P energy: -133.711 bonds (distance) P-C4' energy: -135.507 flat angles C4'-P-C4' energy: -92.600 flat angles P-C4'-P energy: -57.213 tors. eta vs tors. theta energy: 14.156 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: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2952.225743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.225743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.225743 (E_RNA) where: Base-Base interactions energy: -2044.192 where: short stacking energy: -871.163 Base-Backbone interact. energy: 0.325 local terms energy: -908.358021 where: bonds (distance) C4'-P energy: -154.156 bonds (distance) P-C4' energy: -166.476 flat angles C4'-P-C4' energy: -201.990 flat angles P-C4'-P energy: -120.622 tors. eta vs tors. theta energy: -265.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2833.989707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.989707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.989707 (E_RNA) where: Base-Base interactions energy: -1947.582 where: short stacking energy: -839.376 Base-Backbone interact. energy: -1.300 local terms energy: -885.107178 where: bonds (distance) C4'-P energy: -158.842 bonds (distance) P-C4' energy: -161.466 flat angles C4'-P-C4' energy: -180.648 flat angles P-C4'-P energy: -129.128 tors. eta vs tors. theta energy: -255.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2724.485740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.485740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.485740 (E_RNA) where: Base-Base interactions energy: -1876.876 where: short stacking energy: -762.831 Base-Backbone interact. energy: -1.487 local terms energy: -846.123254 where: bonds (distance) C4'-P energy: -155.965 bonds (distance) P-C4' energy: -159.124 flat angles C4'-P-C4' energy: -186.399 flat angles P-C4'-P energy: -113.962 tors. eta vs tors. theta energy: -230.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2624.919091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.919091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.919091 (E_RNA) where: Base-Base interactions energy: -1803.517 where: short stacking energy: -759.792 Base-Backbone interact. energy: -0.547 local terms energy: -820.854354 where: bonds (distance) C4'-P energy: -150.742 bonds (distance) P-C4' energy: -135.554 flat angles C4'-P-C4' energy: -177.050 flat angles P-C4'-P energy: -123.022 tors. eta vs tors. theta energy: -234.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2432.997762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.997762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.997762 (E_RNA) where: Base-Base interactions energy: -1664.831 where: short stacking energy: -673.382 Base-Backbone interact. energy: -4.921 local terms energy: -763.246201 where: bonds (distance) C4'-P energy: -137.129 bonds (distance) P-C4' energy: -147.181 flat angles C4'-P-C4' energy: -181.627 flat angles P-C4'-P energy: -114.412 tors. eta vs tors. theta energy: -182.898 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: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2216.380408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.380408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.380408 (E_RNA) where: Base-Base interactions energy: -1482.446 where: short stacking energy: -614.551 Base-Backbone interact. energy: -1.046 local terms energy: -732.888434 where: bonds (distance) C4'-P energy: -128.864 bonds (distance) P-C4' energy: -156.307 flat angles C4'-P-C4' energy: -175.382 flat angles P-C4'-P energy: -104.855 tors. eta vs tors. theta energy: -167.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1816.373033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.373033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.373033 (E_RNA) where: Base-Base interactions energy: -1201.227 where: short stacking energy: -519.725 Base-Backbone interact. energy: 1.375 local terms energy: -616.521816 where: bonds (distance) C4'-P energy: -125.024 bonds (distance) P-C4' energy: -140.603 flat angles C4'-P-C4' energy: -140.476 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -129.595 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: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1265.931895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.931895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.931895 (E_RNA) where: Base-Base interactions energy: -720.970 where: short stacking energy: -376.208 Base-Backbone interact. energy: -1.512 local terms energy: -543.449991 where: bonds (distance) C4'-P energy: -138.204 bonds (distance) P-C4' energy: -137.817 flat angles C4'-P-C4' energy: -141.719 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: -42.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -915.350361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.350361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.350361 (E_RNA) where: Base-Base interactions energy: -452.188 where: short stacking energy: -264.012 Base-Backbone interact. energy: 3.986 local terms energy: -467.148783 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -141.908 flat angles C4'-P-C4' energy: -133.535 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: 7.384 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: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -734.973401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.973401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.973401 (E_RNA) where: Base-Base interactions energy: -311.725 where: short stacking energy: -212.150 Base-Backbone interact. energy: -1.637 local terms energy: -421.611267 where: bonds (distance) C4'-P energy: -142.307 bonds (distance) P-C4' energy: -127.208 flat angles C4'-P-C4' energy: -94.739 flat angles P-C4'-P energy: -72.061 tors. eta vs tors. theta energy: 14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2918.298764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.298764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.298764 (E_RNA) where: Base-Base interactions energy: -1976.388 where: short stacking energy: -819.875 Base-Backbone interact. energy: -7.130 local terms energy: -934.779923 where: bonds (distance) C4'-P energy: -165.304 bonds (distance) P-C4' energy: -174.687 flat angles C4'-P-C4' energy: -199.782 flat angles P-C4'-P energy: -143.814 tors. eta vs tors. theta energy: -251.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2867.679318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.679318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.679318 (E_RNA) where: Base-Base interactions energy: -1990.252 where: short stacking energy: -819.221 Base-Backbone interact. energy: -5.851 local terms energy: -871.576442 where: bonds (distance) C4'-P energy: -170.950 bonds (distance) P-C4' energy: -156.847 flat angles C4'-P-C4' energy: -181.986 flat angles P-C4'-P energy: -117.707 tors. eta vs tors. theta energy: -244.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2776.724246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.724246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.724246 (E_RNA) where: Base-Base interactions energy: -1943.681 where: short stacking energy: -793.420 Base-Backbone interact. energy: -5.805 local terms energy: -827.239067 where: bonds (distance) C4'-P energy: -155.128 bonds (distance) P-C4' energy: -148.314 flat angles C4'-P-C4' energy: -182.173 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -240.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2574.657385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.657385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.657385 (E_RNA) where: Base-Base interactions energy: -1781.138 where: short stacking energy: -730.282 Base-Backbone interact. energy: -2.244 local terms energy: -791.276044 where: bonds (distance) C4'-P energy: -164.555 bonds (distance) P-C4' energy: -150.982 flat angles C4'-P-C4' energy: -159.658 flat angles P-C4'-P energy: -109.313 tors. eta vs tors. theta energy: -206.768 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: 413 Temperature: 1.100000 Total energy: -2432.147793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.147793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.147793 (E_RNA) where: Base-Base interactions energy: -1672.191 where: short stacking energy: -666.315 Base-Backbone interact. energy: -4.571 local terms energy: -755.385928 where: bonds (distance) C4'-P energy: -145.706 bonds (distance) P-C4' energy: -140.367 flat angles C4'-P-C4' energy: -178.791 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -197.249 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: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2182.774755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.774755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.774755 (E_RNA) where: Base-Base interactions energy: -1469.012 where: short stacking energy: -618.263 Base-Backbone interact. energy: -1.454 local terms energy: -712.309586 where: bonds (distance) C4'-P energy: -149.565 bonds (distance) P-C4' energy: -144.852 flat angles C4'-P-C4' energy: -172.939 flat angles P-C4'-P energy: -91.198 tors. eta vs tors. theta energy: -153.755 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: 413 Temperature: 1.200000 Total energy: -1837.320653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.320653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.320653 (E_RNA) where: Base-Base interactions energy: -1196.998 where: short stacking energy: -551.901 Base-Backbone interact. energy: 4.707 local terms energy: -645.029221 where: bonds (distance) C4'-P energy: -122.612 bonds (distance) P-C4' energy: -138.311 flat angles C4'-P-C4' energy: -155.149 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -125.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1203.641953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.641953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.641953 (E_RNA) where: Base-Base interactions energy: -660.731 where: short stacking energy: -317.400 Base-Backbone interact. energy: -4.120 local terms energy: -538.791420 where: bonds (distance) C4'-P energy: -166.328 bonds (distance) P-C4' energy: -135.505 flat angles C4'-P-C4' energy: -118.495 flat angles P-C4'-P energy: -84.159 tors. eta vs tors. theta energy: -34.305 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: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -937.411113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.411113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.411113 (E_RNA) where: Base-Base interactions energy: -467.581 where: short stacking energy: -262.360 Base-Backbone interact. energy: -3.745 local terms energy: -466.085412 where: bonds (distance) C4'-P energy: -122.979 bonds (distance) P-C4' energy: -148.629 flat angles C4'-P-C4' energy: -111.530 flat angles P-C4'-P energy: -77.309 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -775.706530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.706530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.706530 (E_RNA) where: Base-Base interactions energy: -350.777 where: short stacking energy: -229.431 Base-Backbone interact. energy: 3.812 local terms energy: -428.741199 where: bonds (distance) C4'-P energy: -137.778 bonds (distance) P-C4' energy: -113.403 flat angles C4'-P-C4' energy: -104.714 flat angles P-C4'-P energy: -62.982 tors. eta vs tors. theta energy: -9.864 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: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2960.495910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.495910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.495910 (E_RNA) where: Base-Base interactions energy: -2044.851 where: short stacking energy: -869.410 Base-Backbone interact. energy: -2.393 local terms energy: -913.251842 where: bonds (distance) C4'-P energy: -168.519 bonds (distance) P-C4' energy: -177.812 flat angles C4'-P-C4' energy: -190.553 flat angles P-C4'-P energy: -119.029 tors. eta vs tors. theta energy: -257.339 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: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2873.084736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.084736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.084736 (E_RNA) where: Base-Base interactions energy: -1953.131 where: short stacking energy: -828.969 Base-Backbone interact. energy: -2.145 local terms energy: -917.808873 where: bonds (distance) C4'-P energy: -165.643 bonds (distance) P-C4' energy: -175.983 flat angles C4'-P-C4' energy: -189.518 flat angles P-C4'-P energy: -130.908 tors. eta vs tors. theta energy: -255.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2767.014608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.014608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.014608 (E_RNA) where: Base-Base interactions energy: -1924.934 where: short stacking energy: -790.336 Base-Backbone interact. energy: -4.710 local terms energy: -837.370580 where: bonds (distance) C4'-P energy: -158.783 bonds (distance) P-C4' energy: -162.456 flat angles C4'-P-C4' energy: -170.839 flat angles P-C4'-P energy: -108.185 tors. eta vs tors. theta energy: -237.108 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: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2554.810830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.810830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.810830 (E_RNA) where: Base-Base interactions energy: -1761.285 where: short stacking energy: -759.000 Base-Backbone interact. energy: -3.690 local terms energy: -789.836060 where: bonds (distance) C4'-P energy: -144.472 bonds (distance) P-C4' energy: -152.364 flat angles C4'-P-C4' energy: -170.826 flat angles P-C4'-P energy: -99.205 tors. eta vs tors. theta energy: -222.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2460.991095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.991095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.991095 (E_RNA) where: Base-Base interactions energy: -1723.873 where: short stacking energy: -687.155 Base-Backbone interact. energy: 2.979 local terms energy: -740.097120 where: bonds (distance) C4'-P energy: -117.922 bonds (distance) P-C4' energy: -149.305 flat angles C4'-P-C4' energy: -165.243 flat angles P-C4'-P energy: -105.580 tors. eta vs tors. theta energy: -202.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2187.087408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.087408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.087408 (E_RNA) where: Base-Base interactions energy: -1485.320 where: short stacking energy: -628.741 Base-Backbone interact. energy: 0.221 local terms energy: -701.988760 where: bonds (distance) C4'-P energy: -133.450 bonds (distance) P-C4' energy: -129.587 flat angles C4'-P-C4' energy: -150.030 flat angles P-C4'-P energy: -107.384 tors. eta vs tors. theta energy: -181.539 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: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1797.973322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.973322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.973322 (E_RNA) where: Base-Base interactions energy: -1161.342 where: short stacking energy: -551.556 Base-Backbone interact. energy: -2.695 local terms energy: -633.935990 where: bonds (distance) C4'-P energy: -138.498 bonds (distance) P-C4' energy: -137.350 flat angles C4'-P-C4' energy: -152.635 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -133.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1279.744166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.744166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.744166 (E_RNA) where: Base-Base interactions energy: -719.967 where: short stacking energy: -329.132 Base-Backbone interact. energy: -3.856 local terms energy: -555.920797 where: bonds (distance) C4'-P energy: -145.533 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -137.996 flat angles P-C4'-P energy: -84.930 tors. eta vs tors. theta energy: -37.596 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: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -845.141191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.141191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.141191 (E_RNA) where: Base-Base interactions energy: -402.084 where: short stacking energy: -257.801 Base-Backbone interact. energy: 2.940 local terms energy: -445.997201 where: bonds (distance) C4'-P energy: -138.180 bonds (distance) P-C4' energy: -155.122 flat angles C4'-P-C4' energy: -112.376 flat angles P-C4'-P energy: -48.060 tors. eta vs tors. theta energy: 7.740 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: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -861.393269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.393269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.393269 (E_RNA) where: Base-Base interactions energy: -439.626 where: short stacking energy: -237.610 Base-Backbone interact. energy: 6.255 local terms energy: -428.022871 where: bonds (distance) C4'-P energy: -119.961 bonds (distance) P-C4' energy: -120.904 flat angles C4'-P-C4' energy: -128.994 flat angles P-C4'-P energy: -64.380 tors. eta vs tors. theta energy: 6.217 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: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2921.566882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.566882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.566882 (E_RNA) where: Base-Base interactions energy: -2002.446 where: short stacking energy: -843.434 Base-Backbone interact. energy: -2.089 local terms energy: -917.031617 where: bonds (distance) C4'-P energy: -168.913 bonds (distance) P-C4' energy: -176.761 flat angles C4'-P-C4' energy: -190.231 flat angles P-C4'-P energy: -120.404 tors. eta vs tors. theta energy: -260.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2808.497783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.497783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.497783 (E_RNA) where: Base-Base interactions energy: -1946.660 where: short stacking energy: -821.430 Base-Backbone interact. energy: -2.955 local terms energy: -858.883003 where: bonds (distance) C4'-P energy: -169.741 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -173.394 flat angles P-C4'-P energy: -114.872 tors. eta vs tors. theta energy: -248.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2793.628424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.628424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.628424 (E_RNA) where: Base-Base interactions energy: -1942.996 where: short stacking energy: -812.257 Base-Backbone interact. energy: -0.459 local terms energy: -850.173598 where: bonds (distance) C4'-P energy: -154.956 bonds (distance) P-C4' energy: -153.702 flat angles C4'-P-C4' energy: -183.906 flat angles P-C4'-P energy: -116.812 tors. eta vs tors. theta energy: -240.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2594.810703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.810703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.810703 (E_RNA) where: Base-Base interactions energy: -1778.832 where: short stacking energy: -741.508 Base-Backbone interact. energy: 1.294 local terms energy: -817.272615 where: bonds (distance) C4'-P energy: -151.041 bonds (distance) P-C4' energy: -154.238 flat angles C4'-P-C4' energy: -175.492 flat angles P-C4'-P energy: -115.081 tors. eta vs tors. theta energy: -221.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2460.490837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.490837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.490837 (E_RNA) where: Base-Base interactions energy: -1696.347 where: short stacking energy: -670.284 Base-Backbone interact. energy: -2.459 local terms energy: -761.684271 where: bonds (distance) C4'-P energy: -153.524 bonds (distance) P-C4' energy: -143.882 flat angles C4'-P-C4' energy: -167.891 flat angles P-C4'-P energy: -106.231 tors. eta vs tors. theta energy: -190.157 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: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2175.667407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.667407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.667407 (E_RNA) where: Base-Base interactions energy: -1485.589 where: short stacking energy: -630.357 Base-Backbone interact. energy: 1.182 local terms energy: -691.260782 where: bonds (distance) C4'-P energy: -148.994 bonds (distance) P-C4' energy: -147.390 flat angles C4'-P-C4' energy: -158.527 flat angles P-C4'-P energy: -85.533 tors. eta vs tors. theta energy: -150.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1723.022538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.022538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.022538 (E_RNA) where: Base-Base interactions energy: -1097.525 where: short stacking energy: -504.915 Base-Backbone interact. energy: -0.292 local terms energy: -625.205424 where: bonds (distance) C4'-P energy: -116.599 bonds (distance) P-C4' energy: -151.236 flat angles C4'-P-C4' energy: -154.906 flat angles P-C4'-P energy: -96.602 tors. eta vs tors. theta energy: -105.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1301.568294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.568294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.568294 (E_RNA) where: Base-Base interactions energy: -815.806 where: short stacking energy: -375.558 Base-Backbone interact. energy: 0.988 local terms energy: -486.750456 where: bonds (distance) C4'-P energy: -131.912 bonds (distance) P-C4' energy: -118.234 flat angles C4'-P-C4' energy: -152.245 flat angles P-C4'-P energy: -57.448 tors. eta vs tors. theta energy: -26.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -856.437418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.437418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.437418 (E_RNA) where: Base-Base interactions energy: -401.571 where: short stacking energy: -256.051 Base-Backbone interact. energy: 4.025 local terms energy: -458.891143 where: bonds (distance) C4'-P energy: -137.389 bonds (distance) P-C4' energy: -131.818 flat angles C4'-P-C4' energy: -125.868 flat angles P-C4'-P energy: -63.651 tors. eta vs tors. theta energy: -0.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -822.036845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.036845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.036845 (E_RNA) where: Base-Base interactions energy: -351.246 where: short stacking energy: -213.694 Base-Backbone interact. energy: -0.024 local terms energy: -470.766386 where: bonds (distance) C4'-P energy: -122.278 bonds (distance) P-C4' energy: -140.535 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -93.078 tors. eta vs tors. theta energy: 2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2962.390169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.390169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.390169 (E_RNA) where: Base-Base interactions energy: -2042.982 where: short stacking energy: -871.065 Base-Backbone interact. energy: -3.950 local terms energy: -915.458609 where: bonds (distance) C4'-P energy: -162.860 bonds (distance) P-C4' energy: -157.141 flat angles C4'-P-C4' energy: -197.684 flat angles P-C4'-P energy: -130.190 tors. eta vs tors. theta energy: -267.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2825.010416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.010416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.010416 (E_RNA) where: Base-Base interactions energy: -1931.415 where: short stacking energy: -826.839 Base-Backbone interact. energy: -2.623 local terms energy: -890.973181 where: bonds (distance) C4'-P energy: -157.778 bonds (distance) P-C4' energy: -176.091 flat angles C4'-P-C4' energy: -191.256 flat angles P-C4'-P energy: -118.695 tors. eta vs tors. theta energy: -247.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2784.188333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.188333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.188333 (E_RNA) where: Base-Base interactions energy: -1919.682 where: short stacking energy: -808.196 Base-Backbone interact. energy: -1.676 local terms energy: -862.830098 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -151.739 flat angles C4'-P-C4' energy: -186.887 flat angles P-C4'-P energy: -129.762 tors. eta vs tors. theta energy: -242.738 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: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2587.630142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.630142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.630142 (E_RNA) where: Base-Base interactions energy: -1787.734 where: short stacking energy: -732.682 Base-Backbone interact. energy: 4.345 local terms energy: -804.241429 where: bonds (distance) C4'-P energy: -160.740 bonds (distance) P-C4' energy: -156.901 flat angles C4'-P-C4' energy: -165.580 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -209.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2445.334122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.334122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.334122 (E_RNA) where: Base-Base interactions energy: -1709.383 where: short stacking energy: -698.856 Base-Backbone interact. energy: -0.978 local terms energy: -734.973060 where: bonds (distance) C4'-P energy: -115.146 bonds (distance) P-C4' energy: -154.064 flat angles C4'-P-C4' energy: -175.621 flat angles P-C4'-P energy: -91.809 tors. eta vs tors. theta energy: -198.333 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: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2166.398582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.398582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.398582 (E_RNA) where: Base-Base interactions energy: -1480.748 where: short stacking energy: -627.480 Base-Backbone interact. energy: -1.434 local terms energy: -684.216800 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -146.255 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -80.176 tors. eta vs tors. theta energy: -170.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1777.343923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.343923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.343923 (E_RNA) where: Base-Base interactions energy: -1123.286 where: short stacking energy: -519.987 Base-Backbone interact. energy: 1.587 local terms energy: -655.644981 where: bonds (distance) C4'-P energy: -148.224 bonds (distance) P-C4' energy: -139.167 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -105.742 tors. eta vs tors. theta energy: -125.141 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: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1115.226688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.226688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.226688 (E_RNA) where: Base-Base interactions energy: -621.558 where: short stacking energy: -329.102 Base-Backbone interact. energy: 4.793 local terms energy: -498.462164 where: bonds (distance) C4'-P energy: -124.839 bonds (distance) P-C4' energy: -148.214 flat angles C4'-P-C4' energy: -133.755 flat angles P-C4'-P energy: -62.773 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: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -826.195700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.195700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.195700 (E_RNA) where: Base-Base interactions energy: -371.931 where: short stacking energy: -243.429 Base-Backbone interact. energy: 1.566 local terms energy: -455.830388 where: bonds (distance) C4'-P energy: -132.809 bonds (distance) P-C4' energy: -133.953 flat angles C4'-P-C4' energy: -111.453 flat angles P-C4'-P energy: -83.703 tors. eta vs tors. theta energy: 6.087 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -790.268046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.268046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.268046 (E_RNA) where: Base-Base interactions energy: -372.934 where: short stacking energy: -223.236 Base-Backbone interact. energy: -0.252 local terms energy: -417.082143 where: bonds (distance) C4'-P energy: -118.343 bonds (distance) P-C4' energy: -158.041 flat angles C4'-P-C4' energy: -109.053 flat angles P-C4'-P energy: -57.026 tors. eta vs tors. theta energy: 25.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2943.045414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.045414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.045414 (E_RNA) where: Base-Base interactions energy: -2040.044 where: short stacking energy: -858.935 Base-Backbone interact. energy: -2.415 local terms energy: -900.587233 where: bonds (distance) C4'-P energy: -153.748 bonds (distance) P-C4' energy: -166.008 flat angles C4'-P-C4' energy: -190.641 flat angles P-C4'-P energy: -122.129 tors. eta vs tors. theta energy: -268.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2841.632042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.632042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.632042 (E_RNA) where: Base-Base interactions energy: -1979.450 where: short stacking energy: -830.790 Base-Backbone interact. energy: -1.218 local terms energy: -860.964653 where: bonds (distance) C4'-P energy: -162.421 bonds (distance) P-C4' energy: -167.051 flat angles C4'-P-C4' energy: -170.066 flat angles P-C4'-P energy: -115.215 tors. eta vs tors. theta energy: -246.211 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: 417 Temperature: 1.000000 Total energy: -2803.328356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.328356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.328356 (E_RNA) where: Base-Base interactions energy: -1936.435 where: short stacking energy: -810.562 Base-Backbone interact. energy: -1.684 local terms energy: -865.209712 where: bonds (distance) C4'-P energy: -146.821 bonds (distance) P-C4' energy: -172.497 flat angles C4'-P-C4' energy: -175.178 flat angles P-C4'-P energy: -125.416 tors. eta vs tors. theta energy: -245.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2579.846416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.846416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.846416 (E_RNA) where: Base-Base interactions energy: -1789.442 where: short stacking energy: -751.345 Base-Backbone interact. energy: -4.563 local terms energy: -785.841189 where: bonds (distance) C4'-P energy: -148.108 bonds (distance) P-C4' energy: -159.725 flat angles C4'-P-C4' energy: -152.127 flat angles P-C4'-P energy: -105.798 tors. eta vs tors. theta energy: -220.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2462.402739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.402739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.402739 (E_RNA) where: Base-Base interactions energy: -1733.481 where: short stacking energy: -683.720 Base-Backbone interact. energy: 5.214 local terms energy: -734.135644 where: bonds (distance) C4'-P energy: -133.836 bonds (distance) P-C4' energy: -144.242 flat angles C4'-P-C4' energy: -157.580 flat angles P-C4'-P energy: -108.900 tors. eta vs tors. theta energy: -189.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2225.916200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.916200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.916200 (E_RNA) where: Base-Base interactions energy: -1517.158 where: short stacking energy: -667.413 Base-Backbone interact. energy: -2.993 local terms energy: -705.765005 where: bonds (distance) C4'-P energy: -146.110 bonds (distance) P-C4' energy: -152.445 flat angles C4'-P-C4' energy: -149.503 flat angles P-C4'-P energy: -85.163 tors. eta vs tors. theta energy: -172.544 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: 417 Temperature: 1.200000 Total energy: -1749.695175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.695175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.695175 (E_RNA) where: Base-Base interactions energy: -1154.186 where: short stacking energy: -499.575 Base-Backbone interact. energy: 0.850 local terms energy: -596.359202 where: bonds (distance) C4'-P energy: -125.046 bonds (distance) P-C4' energy: -144.324 flat angles C4'-P-C4' energy: -146.032 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -110.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1156.750440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.750440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.750440 (E_RNA) where: Base-Base interactions energy: -675.400 where: short stacking energy: -331.648 Base-Backbone interact. energy: 0.133 local terms energy: -481.482901 where: bonds (distance) C4'-P energy: -121.948 bonds (distance) P-C4' energy: -151.879 flat angles C4'-P-C4' energy: -111.479 flat angles P-C4'-P energy: -83.202 tors. eta vs tors. theta energy: -12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -761.009646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.009646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.009646 (E_RNA) where: Base-Base interactions energy: -323.075 where: short stacking energy: -208.786 Base-Backbone interact. energy: 1.845 local terms energy: -439.778851 where: bonds (distance) C4'-P energy: -119.852 bonds (distance) P-C4' energy: -136.889 flat angles C4'-P-C4' energy: -135.519 flat angles P-C4'-P energy: -66.885 tors. eta vs tors. theta energy: 19.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -807.685609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.685609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.685609 (E_RNA) where: Base-Base interactions energy: -358.636 where: short stacking energy: -183.218 Base-Backbone interact. energy: 7.501 local terms energy: -456.551355 where: bonds (distance) C4'-P energy: -138.518 bonds (distance) P-C4' energy: -136.503 flat angles C4'-P-C4' energy: -130.444 flat angles P-C4'-P energy: -66.523 tors. eta vs tors. theta energy: 15.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2946.827666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.827666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.827666 (E_RNA) where: Base-Base interactions energy: -2037.857 where: short stacking energy: -874.197 Base-Backbone interact. energy: -0.915 local terms energy: -908.056065 where: bonds (distance) C4'-P energy: -159.067 bonds (distance) P-C4' energy: -177.531 flat angles C4'-P-C4' energy: -188.448 flat angles P-C4'-P energy: -119.727 tors. eta vs tors. theta energy: -263.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2816.120626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.120626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.120626 (E_RNA) where: Base-Base interactions energy: -1969.691 where: short stacking energy: -822.489 Base-Backbone interact. energy: -0.111 local terms energy: -846.318872 where: bonds (distance) C4'-P energy: -154.109 bonds (distance) P-C4' energy: -154.224 flat angles C4'-P-C4' energy: -172.987 flat angles P-C4'-P energy: -129.544 tors. eta vs tors. theta energy: -235.455 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: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2812.068775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.068775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.068775 (E_RNA) where: Base-Base interactions energy: -1941.045 where: short stacking energy: -809.246 Base-Backbone interact. energy: -1.662 local terms energy: -869.361957 where: bonds (distance) C4'-P energy: -154.548 bonds (distance) P-C4' energy: -151.320 flat angles C4'-P-C4' energy: -194.682 flat angles P-C4'-P energy: -120.647 tors. eta vs tors. theta energy: -248.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2588.948910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.948910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.948910 (E_RNA) where: Base-Base interactions energy: -1777.362 where: short stacking energy: -718.358 Base-Backbone interact. energy: -4.563 local terms energy: -807.023965 where: bonds (distance) C4'-P energy: -156.809 bonds (distance) P-C4' energy: -172.415 flat angles C4'-P-C4' energy: -155.431 flat angles P-C4'-P energy: -106.424 tors. eta vs tors. theta energy: -215.946 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2436.184846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.184846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.184846 (E_RNA) where: Base-Base interactions energy: -1704.343 where: short stacking energy: -664.079 Base-Backbone interact. energy: -1.859 local terms energy: -729.983025 where: bonds (distance) C4'-P energy: -146.316 bonds (distance) P-C4' energy: -132.609 flat angles C4'-P-C4' energy: -151.485 flat angles P-C4'-P energy: -99.734 tors. eta vs tors. theta energy: -199.839 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: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2156.225979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.225979 (E_RNA) where: Base-Base interactions energy: -1458.559 where: short stacking energy: -619.902 Base-Backbone interact. energy: -1.872 local terms energy: -695.795008 where: bonds (distance) C4'-P energy: -146.247 bonds (distance) P-C4' energy: -149.241 flat angles C4'-P-C4' energy: -142.924 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -155.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1778.497217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.497217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.497217 (E_RNA) where: Base-Base interactions energy: -1144.686 where: short stacking energy: -505.490 Base-Backbone interact. energy: 8.470 local terms energy: -642.281419 where: bonds (distance) C4'-P energy: -119.022 bonds (distance) P-C4' energy: -146.277 flat angles C4'-P-C4' energy: -150.563 flat angles P-C4'-P energy: -93.323 tors. eta vs tors. theta energy: -133.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1218.461586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.461586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.461586 (E_RNA) where: Base-Base interactions energy: -703.688 where: short stacking energy: -341.470 Base-Backbone interact. energy: 4.954 local terms energy: -519.726670 where: bonds (distance) C4'-P energy: -133.750 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -133.483 flat angles P-C4'-P energy: -72.987 tors. eta vs tors. theta energy: -28.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -901.182462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.182462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.182462 (E_RNA) where: Base-Base interactions energy: -459.812 where: short stacking energy: -271.402 Base-Backbone interact. energy: -0.600 local terms energy: -440.770462 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -115.204 flat angles C4'-P-C4' energy: -121.058 flat angles P-C4'-P energy: -59.290 tors. eta vs tors. theta energy: -9.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -709.247267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.247267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.247267 (E_RNA) where: Base-Base interactions energy: -331.286 where: short stacking energy: -205.197 Base-Backbone interact. energy: 0.702 local terms energy: -378.663731 where: bonds (distance) C4'-P energy: -114.143 bonds (distance) P-C4' energy: -135.918 flat angles C4'-P-C4' energy: -113.844 flat angles P-C4'-P energy: -52.224 tors. eta vs tors. theta energy: 37.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2921.502784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.502784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.502784 (E_RNA) where: Base-Base interactions energy: -2005.009 where: short stacking energy: -876.067 Base-Backbone interact. energy: -2.624 local terms energy: -913.870566 where: bonds (distance) C4'-P energy: -157.952 bonds (distance) P-C4' energy: -151.675 flat angles C4'-P-C4' energy: -201.233 flat angles P-C4'-P energy: -124.786 tors. eta vs tors. theta energy: -278.224 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: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2834.949913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.949913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.949913 (E_RNA) where: Base-Base interactions energy: -1957.925 where: short stacking energy: -849.248 Base-Backbone interact. energy: -2.417 local terms energy: -874.608146 where: bonds (distance) C4'-P energy: -151.438 bonds (distance) P-C4' energy: -165.403 flat angles C4'-P-C4' energy: -181.409 flat angles P-C4'-P energy: -122.925 tors. eta vs tors. theta energy: -253.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2763.932516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.932516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.932516 (E_RNA) where: Base-Base interactions energy: -1923.111 where: short stacking energy: -808.050 Base-Backbone interact. energy: -2.249 local terms energy: -838.572818 where: bonds (distance) C4'-P energy: -151.981 bonds (distance) P-C4' energy: -138.649 flat angles C4'-P-C4' energy: -186.034 flat angles P-C4'-P energy: -125.560 tors. eta vs tors. theta energy: -236.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2586.923173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.923173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.923173 (E_RNA) where: Base-Base interactions energy: -1785.869 where: short stacking energy: -741.270 Base-Backbone interact. energy: -4.349 local terms energy: -796.705249 where: bonds (distance) C4'-P energy: -155.989 bonds (distance) P-C4' energy: -144.568 flat angles C4'-P-C4' energy: -172.277 flat angles P-C4'-P energy: -112.431 tors. eta vs tors. theta energy: -211.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2420.569113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.569113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.569113 (E_RNA) where: Base-Base interactions energy: -1704.010 where: short stacking energy: -689.360 Base-Backbone interact. energy: 0.959 local terms energy: -717.518348 where: bonds (distance) C4'-P energy: -131.035 bonds (distance) P-C4' energy: -135.550 flat angles C4'-P-C4' energy: -158.232 flat angles P-C4'-P energy: -103.539 tors. eta vs tors. theta energy: -189.162 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: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2163.601010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.601010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.601010 (E_RNA) where: Base-Base interactions energy: -1447.189 where: short stacking energy: -605.218 Base-Backbone interact. energy: -0.949 local terms energy: -715.463036 where: bonds (distance) C4'-P energy: -167.834 bonds (distance) P-C4' energy: -150.640 flat angles C4'-P-C4' energy: -134.177 flat angles P-C4'-P energy: -101.924 tors. eta vs tors. theta energy: -160.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1801.744871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.744871 (E_RNA) where: Base-Base interactions energy: -1163.589 where: short stacking energy: -508.386 Base-Backbone interact. energy: 1.185 local terms energy: -639.340674 where: bonds (distance) C4'-P energy: -128.574 bonds (distance) P-C4' energy: -157.430 flat angles C4'-P-C4' energy: -136.336 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -122.120 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: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1307.785751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.785751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.785751 (E_RNA) where: Base-Base interactions energy: -785.777 where: short stacking energy: -372.211 Base-Backbone interact. energy: -1.892 local terms energy: -520.117375 where: bonds (distance) C4'-P energy: -138.621 bonds (distance) P-C4' energy: -117.682 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -75.897 tors. eta vs tors. theta energy: -61.243 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: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -932.311167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.311167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.311167 (E_RNA) where: Base-Base interactions energy: -480.870 where: short stacking energy: -275.857 Base-Backbone interact. energy: -2.123 local terms energy: -449.318065 where: bonds (distance) C4'-P energy: -112.783 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -118.509 flat angles P-C4'-P energy: -64.762 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -703.137468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.137468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.137468 (E_RNA) where: Base-Base interactions energy: -255.386 where: short stacking energy: -187.060 Base-Backbone interact. energy: 3.234 local terms energy: -450.985406 where: bonds (distance) C4'-P energy: -138.278 bonds (distance) P-C4' energy: -136.686 flat angles C4'-P-C4' energy: -113.938 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: 16.943 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: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2939.303052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.303052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.303052 (E_RNA) where: Base-Base interactions energy: -2019.379 where: short stacking energy: -881.167 Base-Backbone interact. energy: -3.797 local terms energy: -916.127295 where: bonds (distance) C4'-P energy: -159.437 bonds (distance) P-C4' energy: -164.151 flat angles C4'-P-C4' energy: -194.413 flat angles P-C4'-P energy: -125.327 tors. eta vs tors. theta energy: -272.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2885.975843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.975843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.975843 (E_RNA) where: Base-Base interactions energy: -1971.171 where: short stacking energy: -850.294 Base-Backbone interact. energy: -4.690 local terms energy: -910.114109 where: bonds (distance) C4'-P energy: -174.867 bonds (distance) P-C4' energy: -159.733 flat angles C4'-P-C4' energy: -189.569 flat angles P-C4'-P energy: -124.072 tors. eta vs tors. theta energy: -261.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2771.494944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.494944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.494944 (E_RNA) where: Base-Base interactions energy: -1931.298 where: short stacking energy: -793.928 Base-Backbone interact. energy: -4.598 local terms energy: -835.599074 where: bonds (distance) C4'-P energy: -128.017 bonds (distance) P-C4' energy: -158.665 flat angles C4'-P-C4' energy: -175.901 flat angles P-C4'-P energy: -124.557 tors. eta vs tors. theta energy: -248.459 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: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2639.699275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.699275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.699275 (E_RNA) where: Base-Base interactions energy: -1842.065 where: short stacking energy: -773.552 Base-Backbone interact. energy: -0.840 local terms energy: -796.794416 where: bonds (distance) C4'-P energy: -137.667 bonds (distance) P-C4' energy: -141.914 flat angles C4'-P-C4' energy: -166.462 flat angles P-C4'-P energy: -112.297 tors. eta vs tors. theta energy: -238.454 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: 420 Temperature: 1.100000 Total energy: -2441.345061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.345061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.345061 (E_RNA) where: Base-Base interactions energy: -1692.269 where: short stacking energy: -684.925 Base-Backbone interact. energy: -0.767 local terms energy: -748.309246 where: bonds (distance) C4'-P energy: -138.312 bonds (distance) P-C4' energy: -142.847 flat angles C4'-P-C4' energy: -167.752 flat angles P-C4'-P energy: -113.568 tors. eta vs tors. theta energy: -185.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2155.622155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.622155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.622155 (E_RNA) where: Base-Base interactions energy: -1457.103 where: short stacking energy: -575.256 Base-Backbone interact. energy: -0.306 local terms energy: -698.213981 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -158.044 flat angles C4'-P-C4' energy: -162.024 flat angles P-C4'-P energy: -102.178 tors. eta vs tors. theta energy: -146.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1839.817661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.817661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.817661 (E_RNA) where: Base-Base interactions energy: -1174.851 where: short stacking energy: -546.626 Base-Backbone interact. energy: -3.018 local terms energy: -661.948951 where: bonds (distance) C4'-P energy: -131.332 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -154.503 flat angles P-C4'-P energy: -92.501 tors. eta vs tors. theta energy: -134.168 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: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1278.296446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.296446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.296446 (E_RNA) where: Base-Base interactions energy: -791.459 where: short stacking energy: -381.651 Base-Backbone interact. energy: 2.407 local terms energy: -489.244657 where: bonds (distance) C4'-P energy: -125.341 bonds (distance) P-C4' energy: -145.745 flat angles C4'-P-C4' energy: -124.105 flat angles P-C4'-P energy: -68.458 tors. eta vs tors. theta energy: -25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -954.105395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.105395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.105395 (E_RNA) where: Base-Base interactions energy: -465.567 where: short stacking energy: -264.047 Base-Backbone interact. energy: 4.330 local terms energy: -492.868172 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -138.345 flat angles C4'-P-C4' energy: -128.815 flat angles P-C4'-P energy: -58.358 tors. eta vs tors. theta energy: -31.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -743.745679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.745679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.745679 (E_RNA) where: Base-Base interactions energy: -331.876 where: short stacking energy: -194.451 Base-Backbone interact. energy: 5.970 local terms energy: -417.839176 where: bonds (distance) C4'-P energy: -124.094 bonds (distance) P-C4' energy: -132.281 flat angles C4'-P-C4' energy: -129.365 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: 23.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2910.230724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.230724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.230724 (E_RNA) where: Base-Base interactions energy: -2004.720 where: short stacking energy: -850.691 Base-Backbone interact. energy: -1.019 local terms energy: -904.491670 where: bonds (distance) C4'-P energy: -176.707 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -188.454 flat angles P-C4'-P energy: -122.511 tors. eta vs tors. theta energy: -265.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2862.070531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.070531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.070531 (E_RNA) where: Base-Base interactions energy: -1979.570 where: short stacking energy: -834.728 Base-Backbone interact. energy: 0.832 local terms energy: -883.332944 where: bonds (distance) C4'-P energy: -158.330 bonds (distance) P-C4' energy: -171.537 flat angles C4'-P-C4' energy: -179.768 flat angles P-C4'-P energy: -121.037 tors. eta vs tors. theta energy: -252.661 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: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2748.483319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.483319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.483319 (E_RNA) where: Base-Base interactions energy: -1933.878 where: short stacking energy: -792.049 Base-Backbone interact. energy: -0.045 local terms energy: -814.559498 where: bonds (distance) C4'-P energy: -164.369 bonds (distance) P-C4' energy: -147.077 flat angles C4'-P-C4' energy: -168.650 flat angles P-C4'-P energy: -93.723 tors. eta vs tors. theta energy: -240.740 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: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2639.754882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.754882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.754882 (E_RNA) where: Base-Base interactions energy: -1797.125 where: short stacking energy: -754.695 Base-Backbone interact. energy: -4.811 local terms energy: -837.818461 where: bonds (distance) C4'-P energy: -156.214 bonds (distance) P-C4' energy: -161.579 flat angles C4'-P-C4' energy: -165.623 flat angles P-C4'-P energy: -131.808 tors. eta vs tors. theta energy: -222.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2421.655391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.655391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.655391 (E_RNA) where: Base-Base interactions energy: -1666.692 where: short stacking energy: -667.485 Base-Backbone interact. energy: -3.112 local terms energy: -751.851811 where: bonds (distance) C4'-P energy: -147.481 bonds (distance) P-C4' energy: -149.458 flat angles C4'-P-C4' energy: -164.322 flat angles P-C4'-P energy: -110.972 tors. eta vs tors. theta energy: -179.619 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2125.426523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.426523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.426523 (E_RNA) where: Base-Base interactions energy: -1408.304 where: short stacking energy: -612.321 Base-Backbone interact. energy: -2.160 local terms energy: -714.961961 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -149.412 flat angles C4'-P-C4' energy: -140.822 flat angles P-C4'-P energy: -107.089 tors. eta vs tors. theta energy: -170.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1833.159834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.159834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.159834 (E_RNA) where: Base-Base interactions energy: -1171.628 where: short stacking energy: -537.154 Base-Backbone interact. energy: -3.133 local terms energy: -658.398724 where: bonds (distance) C4'-P energy: -129.776 bonds (distance) P-C4' energy: -133.873 flat angles C4'-P-C4' energy: -149.579 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -141.719 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: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1290.568223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.568223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.568223 (E_RNA) where: Base-Base interactions energy: -743.091 where: short stacking energy: -385.478 Base-Backbone interact. energy: -1.176 local terms energy: -546.300480 where: bonds (distance) C4'-P energy: -112.366 bonds (distance) P-C4' energy: -139.395 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -86.453 tors. eta vs tors. theta energy: -68.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -948.981628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.981628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.981628 (E_RNA) where: Base-Base interactions energy: -475.694 where: short stacking energy: -256.637 Base-Backbone interact. energy: 1.551 local terms energy: -474.838170 where: bonds (distance) C4'-P energy: -126.869 bonds (distance) P-C4' energy: -146.757 flat angles C4'-P-C4' energy: -120.244 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: 2.660 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: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -740.707514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.707514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.707514 (E_RNA) where: Base-Base interactions energy: -338.719 where: short stacking energy: -208.723 Base-Backbone interact. energy: 6.480 local terms energy: -408.468533 where: bonds (distance) C4'-P energy: -108.842 bonds (distance) P-C4' energy: -149.257 flat angles C4'-P-C4' energy: -89.383 flat angles P-C4'-P energy: -81.711 tors. eta vs tors. theta energy: 20.725 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: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2928.007910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.007910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.007910 (E_RNA) where: Base-Base interactions energy: -2009.687 where: short stacking energy: -843.362 Base-Backbone interact. energy: -2.591 local terms energy: -915.730151 where: bonds (distance) C4'-P energy: -168.289 bonds (distance) P-C4' energy: -177.823 flat angles C4'-P-C4' energy: -183.636 flat angles P-C4'-P energy: -130.539 tors. eta vs tors. theta energy: -255.442 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: 2, replica: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2850.763751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.763751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.763751 (E_RNA) where: Base-Base interactions energy: -1970.874 where: short stacking energy: -860.133 Base-Backbone interact. energy: -4.888 local terms energy: -875.001794 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -156.606 flat angles C4'-P-C4' energy: -183.753 flat angles P-C4'-P energy: -118.500 tors. eta vs tors. theta energy: -256.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2768.616526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.616526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.616526 (E_RNA) where: Base-Base interactions energy: -1931.124 where: short stacking energy: -776.532 Base-Backbone interact. energy: 0.700 local terms energy: -838.193092 where: bonds (distance) C4'-P energy: -151.502 bonds (distance) P-C4' energy: -160.249 flat angles C4'-P-C4' energy: -164.364 flat angles P-C4'-P energy: -112.068 tors. eta vs tors. theta energy: -250.010 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: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2594.681316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.681316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.681316 (E_RNA) where: Base-Base interactions energy: -1790.218 where: short stacking energy: -730.419 Base-Backbone interact. energy: -2.778 local terms energy: -801.686157 where: bonds (distance) C4'-P energy: -148.111 bonds (distance) P-C4' energy: -161.818 flat angles C4'-P-C4' energy: -163.458 flat angles P-C4'-P energy: -117.381 tors. eta vs tors. theta energy: -210.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2426.457678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.457678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.457678 (E_RNA) where: Base-Base interactions energy: -1683.473 where: short stacking energy: -665.705 Base-Backbone interact. energy: -2.918 local terms energy: -740.066553 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -158.799 flat angles C4'-P-C4' energy: -157.358 flat angles P-C4'-P energy: -89.331 tors. eta vs tors. theta energy: -188.741 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: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2126.706899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.706899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.706899 (E_RNA) where: Base-Base interactions energy: -1418.364 where: short stacking energy: -613.777 Base-Backbone interact. energy: 0.481 local terms energy: -708.823378 where: bonds (distance) C4'-P energy: -128.040 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -161.930 flat angles P-C4'-P energy: -106.242 tors. eta vs tors. theta energy: -168.465 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: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1847.301917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.301917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.301917 (E_RNA) where: Base-Base interactions energy: -1188.062 where: short stacking energy: -529.467 Base-Backbone interact. energy: -4.499 local terms energy: -654.740569 where: bonds (distance) C4'-P energy: -136.678 bonds (distance) P-C4' energy: -136.392 flat angles C4'-P-C4' energy: -166.666 flat angles P-C4'-P energy: -96.871 tors. eta vs tors. theta energy: -118.133 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: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1382.299179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.299179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.299179 (E_RNA) where: Base-Base interactions energy: -814.895 where: short stacking energy: -400.760 Base-Backbone interact. energy: -6.646 local terms energy: -560.757643 where: bonds (distance) C4'-P energy: -142.115 bonds (distance) P-C4' energy: -116.913 flat angles C4'-P-C4' energy: -140.981 flat angles P-C4'-P energy: -93.456 tors. eta vs tors. theta energy: -67.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -862.323531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.323531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.323531 (E_RNA) where: Base-Base interactions energy: -405.174 where: short stacking energy: -237.233 Base-Backbone interact. energy: 1.275 local terms energy: -458.423928 where: bonds (distance) C4'-P energy: -112.039 bonds (distance) P-C4' energy: -150.810 flat angles C4'-P-C4' energy: -121.764 flat angles P-C4'-P energy: -78.302 tors. eta vs tors. theta energy: 4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -734.518491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.518491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.518491 (E_RNA) where: Base-Base interactions energy: -308.750 where: short stacking energy: -201.879 Base-Backbone interact. energy: 1.747 local terms energy: -427.515534 where: bonds (distance) C4'-P energy: -124.893 bonds (distance) P-C4' energy: -144.133 flat angles C4'-P-C4' energy: -105.944 flat angles P-C4'-P energy: -67.023 tors. eta vs tors. theta energy: 14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2973.585062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.585062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.585062 (E_RNA) where: Base-Base interactions energy: -2037.661 where: short stacking energy: -867.567 Base-Backbone interact. energy: -3.010 local terms energy: -932.914428 where: bonds (distance) C4'-P energy: -162.615 bonds (distance) P-C4' energy: -171.717 flat angles C4'-P-C4' energy: -191.571 flat angles P-C4'-P energy: -145.842 tors. eta vs tors. theta energy: -261.170 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: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2861.128272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.128272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.128272 (E_RNA) where: Base-Base interactions energy: -1968.848 where: short stacking energy: -856.684 Base-Backbone interact. energy: -5.827 local terms energy: -886.453355 where: bonds (distance) C4'-P energy: -156.982 bonds (distance) P-C4' energy: -154.777 flat angles C4'-P-C4' energy: -197.090 flat angles P-C4'-P energy: -124.570 tors. eta vs tors. theta energy: -253.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2767.527257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.527257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.527257 (E_RNA) where: Base-Base interactions energy: -1949.117 where: short stacking energy: -778.659 Base-Backbone interact. energy: -1.495 local terms energy: -816.916195 where: bonds (distance) C4'-P energy: -136.415 bonds (distance) P-C4' energy: -164.760 flat angles C4'-P-C4' energy: -175.622 flat angles P-C4'-P energy: -115.037 tors. eta vs tors. theta energy: -225.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2635.556766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.556766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.556766 (E_RNA) where: Base-Base interactions energy: -1791.554 where: short stacking energy: -723.776 Base-Backbone interact. energy: -4.957 local terms energy: -839.045606 where: bonds (distance) C4'-P energy: -160.723 bonds (distance) P-C4' energy: -159.774 flat angles C4'-P-C4' energy: -177.407 flat angles P-C4'-P energy: -123.098 tors. eta vs tors. theta energy: -218.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2464.210593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.210593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.210593 (E_RNA) where: Base-Base interactions energy: -1668.918 where: short stacking energy: -703.115 Base-Backbone interact. energy: -2.633 local terms energy: -792.659948 where: bonds (distance) C4'-P energy: -151.945 bonds (distance) P-C4' energy: -151.656 flat angles C4'-P-C4' energy: -174.137 flat angles P-C4'-P energy: -111.085 tors. eta vs tors. theta energy: -203.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2112.248502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.248502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.248502 (E_RNA) where: Base-Base interactions energy: -1403.961 where: short stacking energy: -604.016 Base-Backbone interact. energy: 4.019 local terms energy: -712.307011 where: bonds (distance) C4'-P energy: -146.791 bonds (distance) P-C4' energy: -153.995 flat angles C4'-P-C4' energy: -162.556 flat angles P-C4'-P energy: -88.834 tors. eta vs tors. theta energy: -160.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1929.607526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.607526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.607526 (E_RNA) where: Base-Base interactions energy: -1287.766 where: short stacking energy: -551.588 Base-Backbone interact. energy: 0.819 local terms energy: -642.660772 where: bonds (distance) C4'-P energy: -144.360 bonds (distance) P-C4' energy: -136.576 flat angles C4'-P-C4' energy: -140.143 flat angles P-C4'-P energy: -86.453 tors. eta vs tors. theta energy: -135.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1227.445847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.445847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.445847 (E_RNA) where: Base-Base interactions energy: -694.624 where: short stacking energy: -351.656 Base-Backbone interact. energy: 1.050 local terms energy: -533.872065 where: bonds (distance) C4'-P energy: -133.629 bonds (distance) P-C4' energy: -137.730 flat angles C4'-P-C4' energy: -129.946 flat angles P-C4'-P energy: -87.520 tors. eta vs tors. theta energy: -45.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -913.877861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.877861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.877861 (E_RNA) where: Base-Base interactions energy: -455.274 where: short stacking energy: -243.328 Base-Backbone interact. energy: 2.707 local terms energy: -461.311486 where: bonds (distance) C4'-P energy: -123.418 bonds (distance) P-C4' energy: -143.215 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -82.264 tors. eta vs tors. theta energy: 10.313 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: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -728.326006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.326006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.326006 (E_RNA) where: Base-Base interactions energy: -311.240 where: short stacking energy: -185.530 Base-Backbone interact. energy: -2.743 local terms energy: -414.343565 where: bonds (distance) C4'-P energy: -127.074 bonds (distance) P-C4' energy: -129.613 flat angles C4'-P-C4' energy: -117.794 flat angles P-C4'-P energy: -72.766 tors. eta vs tors. theta energy: 32.903 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: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2953.678535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.678535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.678535 (E_RNA) where: Base-Base interactions energy: -2035.769 where: short stacking energy: -880.665 Base-Backbone interact. energy: 1.705 local terms energy: -919.614022 where: bonds (distance) C4'-P energy: -149.331 bonds (distance) P-C4' energy: -163.258 flat angles C4'-P-C4' energy: -200.040 flat angles P-C4'-P energy: -138.557 tors. eta vs tors. theta energy: -268.428 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: 424 Temperature: 0.950000 Total energy: -2835.815733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.815733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.815733 (E_RNA) where: Base-Base interactions energy: -1949.647 where: short stacking energy: -823.254 Base-Backbone interact. energy: -5.840 local terms energy: -880.328558 where: bonds (distance) C4'-P energy: -156.085 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -186.654 flat angles P-C4'-P energy: -128.312 tors. eta vs tors. theta energy: -251.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2746.544076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.544076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.544076 (E_RNA) where: Base-Base interactions energy: -1905.902 where: short stacking energy: -784.970 Base-Backbone interact. energy: -2.214 local terms energy: -838.428536 where: bonds (distance) C4'-P energy: -164.911 bonds (distance) P-C4' energy: -163.061 flat angles C4'-P-C4' energy: -177.118 flat angles P-C4'-P energy: -110.712 tors. eta vs tors. theta energy: -222.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2586.738063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.738063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.738063 (E_RNA) where: Base-Base interactions energy: -1805.977 where: short stacking energy: -737.864 Base-Backbone interact. energy: -1.412 local terms energy: -779.349895 where: bonds (distance) C4'-P energy: -135.226 bonds (distance) P-C4' energy: -155.639 flat angles C4'-P-C4' energy: -180.179 flat angles P-C4'-P energy: -106.451 tors. eta vs tors. theta energy: -201.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2467.664860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.664860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.664860 (E_RNA) where: Base-Base interactions energy: -1712.445 where: short stacking energy: -695.380 Base-Backbone interact. energy: -1.115 local terms energy: -754.105183 where: bonds (distance) C4'-P energy: -161.847 bonds (distance) P-C4' energy: -136.950 flat angles C4'-P-C4' energy: -151.648 flat angles P-C4'-P energy: -104.790 tors. eta vs tors. theta energy: -198.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2112.497937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.497937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.497937 (E_RNA) where: Base-Base interactions energy: -1371.731 where: short stacking energy: -587.513 Base-Backbone interact. energy: -2.651 local terms energy: -738.115268 where: bonds (distance) C4'-P energy: -154.500 bonds (distance) P-C4' energy: -155.551 flat angles C4'-P-C4' energy: -167.993 flat angles P-C4'-P energy: -111.100 tors. eta vs tors. theta energy: -148.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1847.622763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.622763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.622763 (E_RNA) where: Base-Base interactions energy: -1238.167 where: short stacking energy: -548.673 Base-Backbone interact. energy: 2.428 local terms energy: -611.883953 where: bonds (distance) C4'-P energy: -116.952 bonds (distance) P-C4' energy: -140.793 flat angles C4'-P-C4' energy: -151.746 flat angles P-C4'-P energy: -87.380 tors. eta vs tors. theta energy: -115.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1217.309341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.309341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.309341 (E_RNA) where: Base-Base interactions energy: -663.683 where: short stacking energy: -343.968 Base-Backbone interact. energy: -1.094 local terms energy: -552.532874 where: bonds (distance) C4'-P energy: -128.976 bonds (distance) P-C4' energy: -154.327 flat angles C4'-P-C4' energy: -146.849 flat angles P-C4'-P energy: -84.998 tors. eta vs tors. theta energy: -37.383 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: 424 Temperature: 1.300000 Total energy: -897.155282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.155282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.155282 (E_RNA) where: Base-Base interactions energy: -443.380 where: short stacking energy: -261.501 Base-Backbone interact. energy: 10.278 local terms energy: -464.053638 where: bonds (distance) C4'-P energy: -134.179 bonds (distance) P-C4' energy: -142.543 flat angles C4'-P-C4' energy: -115.400 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -25.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -835.810202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.810202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.810202 (E_RNA) where: Base-Base interactions energy: -401.266 where: short stacking energy: -240.964 Base-Backbone interact. energy: 2.037 local terms energy: -436.580898 where: bonds (distance) C4'-P energy: -158.195 bonds (distance) P-C4' energy: -131.267 flat angles C4'-P-C4' energy: -93.351 flat angles P-C4'-P energy: -61.226 tors. eta vs tors. theta energy: 7.458 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: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2903.816479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.816479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.816479 (E_RNA) where: Base-Base interactions energy: -2002.636 where: short stacking energy: -868.889 Base-Backbone interact. energy: -2.555 local terms energy: -898.626178 where: bonds (distance) C4'-P energy: -163.893 bonds (distance) P-C4' energy: -163.315 flat angles C4'-P-C4' energy: -190.795 flat angles P-C4'-P energy: -125.860 tors. eta vs tors. theta energy: -254.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2846.978036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.978036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.978036 (E_RNA) where: Base-Base interactions energy: -1973.905 where: short stacking energy: -846.116 Base-Backbone interact. energy: -2.506 local terms energy: -870.566669 where: bonds (distance) C4'-P energy: -156.597 bonds (distance) P-C4' energy: -144.801 flat angles C4'-P-C4' energy: -188.912 flat angles P-C4'-P energy: -129.339 tors. eta vs tors. theta energy: -250.917 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: 425 Temperature: 1.000000 Total energy: -2770.781784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.781784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.781784 (E_RNA) where: Base-Base interactions energy: -1946.391 where: short stacking energy: -804.766 Base-Backbone interact. energy: 1.159 local terms energy: -825.549677 where: bonds (distance) C4'-P energy: -148.193 bonds (distance) P-C4' energy: -151.652 flat angles C4'-P-C4' energy: -192.187 flat angles P-C4'-P energy: -110.393 tors. eta vs tors. theta energy: -223.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2604.754096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.754096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.754096 (E_RNA) where: Base-Base interactions energy: -1792.144 where: short stacking energy: -769.134 Base-Backbone interact. energy: -3.438 local terms energy: -809.172240 where: bonds (distance) C4'-P energy: -135.205 bonds (distance) P-C4' energy: -156.023 flat angles C4'-P-C4' energy: -179.041 flat angles P-C4'-P energy: -110.539 tors. eta vs tors. theta energy: -228.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2458.589721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.589721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.589721 (E_RNA) where: Base-Base interactions energy: -1680.685 where: short stacking energy: -676.196 Base-Backbone interact. energy: 3.699 local terms energy: -781.603472 where: bonds (distance) C4'-P energy: -141.490 bonds (distance) P-C4' energy: -162.946 flat angles C4'-P-C4' energy: -169.648 flat angles P-C4'-P energy: -114.015 tors. eta vs tors. theta energy: -193.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2137.512077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.512077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.512077 (E_RNA) where: Base-Base interactions energy: -1444.413 where: short stacking energy: -611.261 Base-Backbone interact. energy: 1.460 local terms energy: -694.558687 where: bonds (distance) C4'-P energy: -153.883 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -141.910 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -166.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1836.346725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.346725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.346725 (E_RNA) where: Base-Base interactions energy: -1226.826 where: short stacking energy: -541.768 Base-Backbone interact. energy: -2.168 local terms energy: -607.353078 where: bonds (distance) C4'-P energy: -133.820 bonds (distance) P-C4' energy: -132.102 flat angles C4'-P-C4' energy: -139.175 flat angles P-C4'-P energy: -74.166 tors. eta vs tors. theta energy: -128.090 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: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1199.655879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.655879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.655879 (E_RNA) where: Base-Base interactions energy: -665.083 where: short stacking energy: -328.863 Base-Backbone interact. energy: -1.730 local terms energy: -532.842681 where: bonds (distance) C4'-P energy: -129.107 bonds (distance) P-C4' energy: -136.802 flat angles C4'-P-C4' energy: -134.801 flat angles P-C4'-P energy: -92.940 tors. eta vs tors. theta energy: -39.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -870.278190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.278190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.278190 (E_RNA) where: Base-Base interactions energy: -421.720 where: short stacking energy: -250.580 Base-Backbone interact. energy: -2.295 local terms energy: -446.263301 where: bonds (distance) C4'-P energy: -113.670 bonds (distance) P-C4' energy: -139.076 flat angles C4'-P-C4' energy: -132.006 flat angles P-C4'-P energy: -68.201 tors. eta vs tors. theta energy: 6.690 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -799.271545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.271545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.271545 (E_RNA) where: Base-Base interactions energy: -324.438 where: short stacking energy: -218.454 Base-Backbone interact. energy: 1.185 local terms energy: -476.018674 where: bonds (distance) C4'-P energy: -124.041 bonds (distance) P-C4' energy: -145.902 flat angles C4'-P-C4' energy: -129.392 flat angles P-C4'-P energy: -68.277 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2914.026927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.026927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.026927 (E_RNA) where: Base-Base interactions energy: -2009.980 where: short stacking energy: -872.500 Base-Backbone interact. energy: -4.917 local terms energy: -899.130521 where: bonds (distance) C4'-P energy: -154.427 bonds (distance) P-C4' energy: -168.452 flat angles C4'-P-C4' energy: -192.547 flat angles P-C4'-P energy: -127.212 tors. eta vs tors. theta energy: -256.493 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: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2847.623547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.623547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.623547 (E_RNA) where: Base-Base interactions energy: -1947.606 where: short stacking energy: -827.124 Base-Backbone interact. energy: -1.626 local terms energy: -898.391537 where: bonds (distance) C4'-P energy: -167.008 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -197.951 flat angles P-C4'-P energy: -117.614 tors. eta vs tors. theta energy: -255.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2772.349135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.349135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.349135 (E_RNA) where: Base-Base interactions energy: -1947.146 where: short stacking energy: -802.644 Base-Backbone interact. energy: -0.359 local terms energy: -824.844171 where: bonds (distance) C4'-P energy: -143.715 bonds (distance) P-C4' energy: -163.666 flat angles C4'-P-C4' energy: -174.193 flat angles P-C4'-P energy: -110.822 tors. eta vs tors. theta energy: -232.447 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: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2639.513224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.513224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.513224 (E_RNA) where: Base-Base interactions energy: -1811.965 where: short stacking energy: -772.960 Base-Backbone interact. energy: -0.127 local terms energy: -827.420825 where: bonds (distance) C4'-P energy: -161.769 bonds (distance) P-C4' energy: -145.943 flat angles C4'-P-C4' energy: -164.998 flat angles P-C4'-P energy: -120.986 tors. eta vs tors. theta energy: -233.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2456.461893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.461893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.461893 (E_RNA) where: Base-Base interactions energy: -1731.084 where: short stacking energy: -680.704 Base-Backbone interact. energy: -4.562 local terms energy: -720.815684 where: bonds (distance) C4'-P energy: -143.413 bonds (distance) P-C4' energy: -140.118 flat angles C4'-P-C4' energy: -150.435 flat angles P-C4'-P energy: -109.599 tors. eta vs tors. theta energy: -177.250 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: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2099.378048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.378048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.378048 (E_RNA) where: Base-Base interactions energy: -1396.004 where: short stacking energy: -598.277 Base-Backbone interact. energy: -4.657 local terms energy: -698.717642 where: bonds (distance) C4'-P energy: -136.576 bonds (distance) P-C4' energy: -154.564 flat angles C4'-P-C4' energy: -158.343 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -161.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1877.896957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.896957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.896957 (E_RNA) where: Base-Base interactions energy: -1220.266 where: short stacking energy: -544.357 Base-Backbone interact. energy: -3.401 local terms energy: -654.230312 where: bonds (distance) C4'-P energy: -128.941 bonds (distance) P-C4' energy: -132.802 flat angles C4'-P-C4' energy: -167.804 flat angles P-C4'-P energy: -81.854 tors. eta vs tors. theta energy: -142.830 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: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1190.305149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.305149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.305149 (E_RNA) where: Base-Base interactions energy: -675.947 where: short stacking energy: -331.410 Base-Backbone interact. energy: -3.247 local terms energy: -511.111098 where: bonds (distance) C4'-P energy: -136.539 bonds (distance) P-C4' energy: -143.876 flat angles C4'-P-C4' energy: -124.106 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -36.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -887.926310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.926310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.926310 (E_RNA) where: Base-Base interactions energy: -401.302 where: short stacking energy: -216.801 Base-Backbone interact. energy: -2.475 local terms energy: -484.148958 where: bonds (distance) C4'-P energy: -129.725 bonds (distance) P-C4' energy: -144.168 flat angles C4'-P-C4' energy: -116.151 flat angles P-C4'-P energy: -94.215 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -755.867515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.867515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.867515 (E_RNA) where: Base-Base interactions energy: -344.431 where: short stacking energy: -253.076 Base-Backbone interact. energy: 1.767 local terms energy: -413.203336 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -123.278 flat angles C4'-P-C4' energy: -108.923 flat angles P-C4'-P energy: -56.012 tors. eta vs tors. theta energy: 6.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2904.444213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.444213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.444213 (E_RNA) where: Base-Base interactions energy: -2013.529 where: short stacking energy: -826.116 Base-Backbone interact. energy: -5.289 local terms energy: -885.626910 where: bonds (distance) C4'-P energy: -160.394 bonds (distance) P-C4' energy: -165.640 flat angles C4'-P-C4' energy: -189.794 flat angles P-C4'-P energy: -131.779 tors. eta vs tors. theta energy: -238.021 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: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2829.942831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.942831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.942831 (E_RNA) where: Base-Base interactions energy: -1962.188 where: short stacking energy: -830.402 Base-Backbone interact. energy: -4.701 local terms energy: -863.054179 where: bonds (distance) C4'-P energy: -156.650 bonds (distance) P-C4' energy: -168.864 flat angles C4'-P-C4' energy: -189.619 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -244.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2734.885343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.885343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.885343 (E_RNA) where: Base-Base interactions energy: -1939.432 where: short stacking energy: -798.667 Base-Backbone interact. energy: 1.201 local terms energy: -796.654597 where: bonds (distance) C4'-P energy: -122.102 bonds (distance) P-C4' energy: -151.221 flat angles C4'-P-C4' energy: -182.921 flat angles P-C4'-P energy: -121.897 tors. eta vs tors. theta energy: -218.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2614.156509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.156509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.156509 (E_RNA) where: Base-Base interactions energy: -1772.403 where: short stacking energy: -772.789 Base-Backbone interact. energy: -4.294 local terms energy: -837.459908 where: bonds (distance) C4'-P energy: -152.137 bonds (distance) P-C4' energy: -167.436 flat angles C4'-P-C4' energy: -168.155 flat angles P-C4'-P energy: -106.666 tors. eta vs tors. theta energy: -243.067 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: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2475.500392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.500392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.500392 (E_RNA) where: Base-Base interactions energy: -1727.452 where: short stacking energy: -699.264 Base-Backbone interact. energy: -3.740 local terms energy: -744.307770 where: bonds (distance) C4'-P energy: -134.105 bonds (distance) P-C4' energy: -147.580 flat angles C4'-P-C4' energy: -165.013 flat angles P-C4'-P energy: -104.438 tors. eta vs tors. theta energy: -193.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2137.089475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.089475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.089475 (E_RNA) where: Base-Base interactions energy: -1451.859 where: short stacking energy: -640.616 Base-Backbone interact. energy: 1.387 local terms energy: -686.616926 where: bonds (distance) C4'-P energy: -124.092 bonds (distance) P-C4' energy: -134.562 flat angles C4'-P-C4' energy: -146.193 flat angles P-C4'-P energy: -107.318 tors. eta vs tors. theta energy: -174.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1843.571087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.571087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.571087 (E_RNA) where: Base-Base interactions energy: -1168.687 where: short stacking energy: -513.058 Base-Backbone interact. energy: -2.065 local terms energy: -672.819266 where: bonds (distance) C4'-P energy: -134.684 bonds (distance) P-C4' energy: -153.724 flat angles C4'-P-C4' energy: -173.010 flat angles P-C4'-P energy: -78.430 tors. eta vs tors. theta energy: -132.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1278.796830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.796830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.796830 (E_RNA) where: Base-Base interactions energy: -750.575 where: short stacking energy: -345.050 Base-Backbone interact. energy: 6.523 local terms energy: -534.744240 where: bonds (distance) C4'-P energy: -118.577 bonds (distance) P-C4' energy: -144.264 flat angles C4'-P-C4' energy: -140.921 flat angles P-C4'-P energy: -100.092 tors. eta vs tors. theta energy: -30.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -931.290028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.290028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.290028 (E_RNA) where: Base-Base interactions energy: -485.548 where: short stacking energy: -295.192 Base-Backbone interact. energy: 3.647 local terms energy: -449.388214 where: bonds (distance) C4'-P energy: -125.104 bonds (distance) P-C4' energy: -121.209 flat angles C4'-P-C4' energy: -123.373 flat angles P-C4'-P energy: -73.759 tors. eta vs tors. theta energy: -5.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -725.427510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.427510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.427510 (E_RNA) where: Base-Base interactions energy: -305.691 where: short stacking energy: -223.417 Base-Backbone interact. energy: 0.651 local terms energy: -420.387830 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -129.175 flat angles C4'-P-C4' energy: -109.389 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: 26.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2940.127835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.127835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.127835 (E_RNA) where: Base-Base interactions energy: -2033.902 where: short stacking energy: -852.831 Base-Backbone interact. energy: -2.280 local terms energy: -903.946125 where: bonds (distance) C4'-P energy: -163.280 bonds (distance) P-C4' energy: -157.096 flat angles C4'-P-C4' energy: -192.445 flat angles P-C4'-P energy: -135.326 tors. eta vs tors. theta energy: -255.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2865.867983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.867983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.867983 (E_RNA) where: Base-Base interactions energy: -1997.059 where: short stacking energy: -846.331 Base-Backbone interact. energy: -7.686 local terms energy: -861.123773 where: bonds (distance) C4'-P energy: -154.655 bonds (distance) P-C4' energy: -169.947 flat angles C4'-P-C4' energy: -172.418 flat angles P-C4'-P energy: -109.377 tors. eta vs tors. theta energy: -254.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2737.362602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.362602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.362602 (E_RNA) where: Base-Base interactions energy: -1881.490 where: short stacking energy: -759.952 Base-Backbone interact. energy: 0.052 local terms energy: -855.924676 where: bonds (distance) C4'-P energy: -163.863 bonds (distance) P-C4' energy: -167.861 flat angles C4'-P-C4' energy: -179.191 flat angles P-C4'-P energy: -116.244 tors. eta vs tors. theta energy: -228.766 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: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2657.889522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.889522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.889522 (E_RNA) where: Base-Base interactions energy: -1813.863 where: short stacking energy: -756.201 Base-Backbone interact. energy: -3.370 local terms energy: -840.655724 where: bonds (distance) C4'-P energy: -143.971 bonds (distance) P-C4' energy: -162.439 flat angles C4'-P-C4' energy: -182.553 flat angles P-C4'-P energy: -121.897 tors. eta vs tors. theta energy: -229.796 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: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2483.602806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.602806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.602806 (E_RNA) where: Base-Base interactions energy: -1713.761 where: short stacking energy: -680.209 Base-Backbone interact. energy: -3.522 local terms energy: -766.319947 where: bonds (distance) C4'-P energy: -143.236 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -176.758 flat angles P-C4'-P energy: -107.409 tors. eta vs tors. theta energy: -191.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2162.116085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.116085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.116085 (E_RNA) where: Base-Base interactions energy: -1466.097 where: short stacking energy: -622.124 Base-Backbone interact. energy: -3.037 local terms energy: -692.981229 where: bonds (distance) C4'-P energy: -129.290 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -143.556 flat angles P-C4'-P energy: -107.809 tors. eta vs tors. theta energy: -165.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1869.067375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.067375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.067375 (E_RNA) where: Base-Base interactions energy: -1199.910 where: short stacking energy: -525.572 Base-Backbone interact. energy: -6.785 local terms energy: -662.372154 where: bonds (distance) C4'-P energy: -140.998 bonds (distance) P-C4' energy: -153.370 flat angles C4'-P-C4' energy: -146.521 flat angles P-C4'-P energy: -95.137 tors. eta vs tors. theta energy: -126.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1235.271760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.271760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.271760 (E_RNA) where: Base-Base interactions energy: -734.664 where: short stacking energy: -376.511 Base-Backbone interact. energy: 0.678 local terms energy: -501.286046 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -150.653 flat angles C4'-P-C4' energy: -125.668 flat angles P-C4'-P energy: -59.332 tors. eta vs tors. theta energy: -42.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -905.323035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.323035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.323035 (E_RNA) where: Base-Base interactions energy: -424.017 where: short stacking energy: -241.404 Base-Backbone interact. energy: 0.875 local terms energy: -482.180124 where: bonds (distance) C4'-P energy: -135.037 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -135.236 flat angles P-C4'-P energy: -44.498 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: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -728.875958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.875958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.875958 (E_RNA) where: Base-Base interactions energy: -313.673 where: short stacking energy: -217.241 Base-Backbone interact. energy: -0.212 local terms energy: -414.990256 where: bonds (distance) C4'-P energy: -148.690 bonds (distance) P-C4' energy: -121.040 flat angles C4'-P-C4' energy: -92.753 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: 2.702 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: 429 Temperature: 0.900000 Total energy: -2913.101774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.101774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.101774 (E_RNA) where: Base-Base interactions energy: -2005.895 where: short stacking energy: -843.717 Base-Backbone interact. energy: -0.274 local terms energy: -906.932676 where: bonds (distance) C4'-P energy: -169.708 bonds (distance) P-C4' energy: -185.314 flat angles C4'-P-C4' energy: -182.340 flat angles P-C4'-P energy: -117.502 tors. eta vs tors. theta energy: -252.068 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: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2864.450499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.450499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.450499 (E_RNA) where: Base-Base interactions energy: -1969.132 where: short stacking energy: -849.972 Base-Backbone interact. energy: 0.505 local terms energy: -895.823180 where: bonds (distance) C4'-P energy: -161.228 bonds (distance) P-C4' energy: -162.947 flat angles C4'-P-C4' energy: -178.109 flat angles P-C4'-P energy: -134.885 tors. eta vs tors. theta energy: -258.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2742.644882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.644882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.644882 (E_RNA) where: Base-Base interactions energy: -1926.314 where: short stacking energy: -757.077 Base-Backbone interact. energy: -0.693 local terms energy: -815.638290 where: bonds (distance) C4'-P energy: -139.450 bonds (distance) P-C4' energy: -154.790 flat angles C4'-P-C4' energy: -167.575 flat angles P-C4'-P energy: -121.645 tors. eta vs tors. theta energy: -232.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2636.545666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.545666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.545666 (E_RNA) where: Base-Base interactions energy: -1782.929 where: short stacking energy: -711.164 Base-Backbone interact. energy: 1.047 local terms energy: -854.664516 where: bonds (distance) C4'-P energy: -158.265 bonds (distance) P-C4' energy: -164.346 flat angles C4'-P-C4' energy: -179.025 flat angles P-C4'-P energy: -119.852 tors. eta vs tors. theta energy: -233.177 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: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2444.112628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.112628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.112628 (E_RNA) where: Base-Base interactions energy: -1648.331 where: short stacking energy: -683.410 Base-Backbone interact. energy: -0.947 local terms energy: -794.834564 where: bonds (distance) C4'-P energy: -139.978 bonds (distance) P-C4' energy: -161.232 flat angles C4'-P-C4' energy: -179.970 flat angles P-C4'-P energy: -123.728 tors. eta vs tors. theta energy: -189.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2160.075570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.075570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.075570 (E_RNA) where: Base-Base interactions energy: -1468.726 where: short stacking energy: -609.702 Base-Backbone interact. energy: -2.183 local terms energy: -689.166275 where: bonds (distance) C4'-P energy: -141.658 bonds (distance) P-C4' energy: -134.217 flat angles C4'-P-C4' energy: -159.830 flat angles P-C4'-P energy: -101.833 tors. eta vs tors. theta energy: -151.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1924.440940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.440940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.440940 (E_RNA) where: Base-Base interactions energy: -1223.396 where: short stacking energy: -568.221 Base-Backbone interact. energy: -0.263 local terms energy: -700.782809 where: bonds (distance) C4'-P energy: -151.186 bonds (distance) P-C4' energy: -149.078 flat angles C4'-P-C4' energy: -165.163 flat angles P-C4'-P energy: -91.101 tors. eta vs tors. theta energy: -144.255 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: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1313.012220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.012220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.012220 (E_RNA) where: Base-Base interactions energy: -736.317 where: short stacking energy: -398.249 Base-Backbone interact. energy: 1.708 local terms energy: -578.403691 where: bonds (distance) C4'-P energy: -146.514 bonds (distance) P-C4' energy: -152.598 flat angles C4'-P-C4' energy: -139.384 flat angles P-C4'-P energy: -72.938 tors. eta vs tors. theta energy: -66.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -905.434782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.434782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.434782 (E_RNA) where: Base-Base interactions energy: -445.689 where: short stacking energy: -283.977 Base-Backbone interact. energy: -3.381 local terms energy: -456.365011 where: bonds (distance) C4'-P energy: -135.674 bonds (distance) P-C4' energy: -135.969 flat angles C4'-P-C4' energy: -129.527 flat angles P-C4'-P energy: -65.795 tors. eta vs tors. theta energy: 10.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -727.131770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.131770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.131770 (E_RNA) where: Base-Base interactions energy: -329.715 where: short stacking energy: -213.339 Base-Backbone interact. energy: -2.651 local terms energy: -394.765332 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -130.810 flat angles C4'-P-C4' energy: -93.090 flat angles P-C4'-P energy: -71.381 tors. eta vs tors. theta energy: 15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2952.323952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.323952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.323952 (E_RNA) where: Base-Base interactions energy: -2033.505 where: short stacking energy: -841.995 Base-Backbone interact. energy: 1.238 local terms energy: -920.057052 where: bonds (distance) C4'-P energy: -165.581 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -193.446 flat angles P-C4'-P energy: -121.958 tors. eta vs tors. theta energy: -270.422 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: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2860.932978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.932978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.932978 (E_RNA) where: Base-Base interactions energy: -1963.190 where: short stacking energy: -827.151 Base-Backbone interact. energy: -2.214 local terms energy: -895.528848 where: bonds (distance) C4'-P energy: -152.687 bonds (distance) P-C4' energy: -166.877 flat angles C4'-P-C4' energy: -192.787 flat angles P-C4'-P energy: -126.533 tors. eta vs tors. theta energy: -256.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2709.224971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.224971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.224971 (E_RNA) where: Base-Base interactions energy: -1859.547 where: short stacking energy: -794.064 Base-Backbone interact. energy: -5.451 local terms energy: -844.226999 where: bonds (distance) C4'-P energy: -151.994 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -183.740 flat angles P-C4'-P energy: -111.834 tors. eta vs tors. theta energy: -233.226 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: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2612.461590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.461590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.461590 (E_RNA) where: Base-Base interactions energy: -1800.259 where: short stacking energy: -760.585 Base-Backbone interact. energy: 6.303 local terms energy: -818.505922 where: bonds (distance) C4'-P energy: -145.535 bonds (distance) P-C4' energy: -165.267 flat angles C4'-P-C4' energy: -183.234 flat angles P-C4'-P energy: -112.970 tors. eta vs tors. theta energy: -211.499 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: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2386.066560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.066560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.066560 (E_RNA) where: Base-Base interactions energy: -1623.199 where: short stacking energy: -659.379 Base-Backbone interact. energy: -7.710 local terms energy: -755.158199 where: bonds (distance) C4'-P energy: -143.492 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -179.733 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -187.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2129.994034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.994034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.994034 (E_RNA) where: Base-Base interactions energy: -1418.430 where: short stacking energy: -586.420 Base-Backbone interact. energy: -3.215 local terms energy: -708.349067 where: bonds (distance) C4'-P energy: -145.918 bonds (distance) P-C4' energy: -151.553 flat angles C4'-P-C4' energy: -163.668 flat angles P-C4'-P energy: -90.231 tors. eta vs tors. theta energy: -156.980 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: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1873.774577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.774577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.774577 (E_RNA) where: Base-Base interactions energy: -1236.207 where: short stacking energy: -560.690 Base-Backbone interact. energy: -1.578 local terms energy: -635.989993 where: bonds (distance) C4'-P energy: -169.779 bonds (distance) P-C4' energy: -132.161 flat angles C4'-P-C4' energy: -117.983 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -139.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1203.938290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.938290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.938290 (E_RNA) where: Base-Base interactions energy: -681.695 where: short stacking energy: -362.806 Base-Backbone interact. energy: 3.366 local terms energy: -525.608679 where: bonds (distance) C4'-P energy: -123.947 bonds (distance) P-C4' energy: -135.198 flat angles C4'-P-C4' energy: -128.628 flat angles P-C4'-P energy: -96.902 tors. eta vs tors. theta energy: -40.933 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: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -913.861591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.861591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.861591 (E_RNA) where: Base-Base interactions energy: -454.184 where: short stacking energy: -241.835 Base-Backbone interact. energy: 3.159 local terms energy: -462.836876 where: bonds (distance) C4'-P energy: -143.052 bonds (distance) P-C4' energy: -134.815 flat angles C4'-P-C4' energy: -108.887 flat angles P-C4'-P energy: -66.671 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -740.957758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.957758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.957758 (E_RNA) where: Base-Base interactions energy: -332.429 where: short stacking energy: -209.373 Base-Backbone interact. energy: 3.204 local terms energy: -411.732676 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -115.684 flat angles C4'-P-C4' energy: -113.893 flat angles P-C4'-P energy: -77.186 tors. eta vs tors. theta energy: 23.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2974.032605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.032605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.032605 (E_RNA) where: Base-Base interactions energy: -2054.359 where: short stacking energy: -886.488 Base-Backbone interact. energy: 2.199 local terms energy: -921.872868 where: bonds (distance) C4'-P energy: -173.007 bonds (distance) P-C4' energy: -171.472 flat angles C4'-P-C4' energy: -191.753 flat angles P-C4'-P energy: -126.590 tors. eta vs tors. theta energy: -259.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2885.347287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.347287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.347287 (E_RNA) where: Base-Base interactions energy: -2013.876 where: short stacking energy: -854.507 Base-Backbone interact. energy: 3.348 local terms energy: -874.818949 where: bonds (distance) C4'-P energy: -137.854 bonds (distance) P-C4' energy: -172.521 flat angles C4'-P-C4' energy: -187.323 flat angles P-C4'-P energy: -136.589 tors. eta vs tors. theta energy: -240.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2746.657317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.657317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.657317 (E_RNA) where: Base-Base interactions energy: -1911.356 where: short stacking energy: -775.756 Base-Backbone interact. energy: -0.343 local terms energy: -834.958186 where: bonds (distance) C4'-P energy: -154.548 bonds (distance) P-C4' energy: -158.731 flat angles C4'-P-C4' energy: -181.989 flat angles P-C4'-P energy: -108.799 tors. eta vs tors. theta energy: -230.891 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: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2631.280770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.280770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.280770 (E_RNA) where: Base-Base interactions energy: -1831.829 where: short stacking energy: -782.746 Base-Backbone interact. energy: -3.118 local terms energy: -796.333547 where: bonds (distance) C4'-P energy: -147.475 bonds (distance) P-C4' energy: -142.713 flat angles C4'-P-C4' energy: -176.901 flat angles P-C4'-P energy: -102.422 tors. eta vs tors. theta energy: -226.823 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: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2472.135026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.135026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.135026 (E_RNA) where: Base-Base interactions energy: -1732.440 where: short stacking energy: -723.275 Base-Backbone interact. energy: -7.296 local terms energy: -732.399765 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -143.722 flat angles P-C4'-P energy: -98.556 tors. eta vs tors. theta energy: -203.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2041.982903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.982903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.982903 (E_RNA) where: Base-Base interactions energy: -1367.920 where: short stacking energy: -595.826 Base-Backbone interact. energy: 0.133 local terms energy: -674.196263 where: bonds (distance) C4'-P energy: -157.053 bonds (distance) P-C4' energy: -144.633 flat angles C4'-P-C4' energy: -142.253 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -129.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1899.988559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.988559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.988559 (E_RNA) where: Base-Base interactions energy: -1252.425 where: short stacking energy: -548.725 Base-Backbone interact. energy: -1.007 local terms energy: -646.556206 where: bonds (distance) C4'-P energy: -157.942 bonds (distance) P-C4' energy: -119.543 flat angles C4'-P-C4' energy: -148.683 flat angles P-C4'-P energy: -99.592 tors. eta vs tors. theta energy: -120.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1187.014299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.014299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.014299 (E_RNA) where: Base-Base interactions energy: -671.299 where: short stacking energy: -360.835 Base-Backbone interact. energy: 0.467 local terms energy: -516.181531 where: bonds (distance) C4'-P energy: -135.632 bonds (distance) P-C4' energy: -151.232 flat angles C4'-P-C4' energy: -119.105 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -43.319 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: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -951.606617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.606617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.606617 (E_RNA) where: Base-Base interactions energy: -519.121 where: short stacking energy: -264.795 Base-Backbone interact. energy: -0.994 local terms energy: -431.491941 where: bonds (distance) C4'-P energy: -122.545 bonds (distance) P-C4' energy: -141.733 flat angles C4'-P-C4' energy: -97.816 flat angles P-C4'-P energy: -59.756 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -734.059407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.059407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.059407 (E_RNA) where: Base-Base interactions energy: -307.811 where: short stacking energy: -205.847 Base-Backbone interact. energy: -0.617 local terms energy: -425.631972 where: bonds (distance) C4'-P energy: -143.099 bonds (distance) P-C4' energy: -123.529 flat angles C4'-P-C4' energy: -105.874 flat angles P-C4'-P energy: -65.717 tors. eta vs tors. theta energy: 12.587 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: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2952.906204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.906204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.906204 (E_RNA) where: Base-Base interactions energy: -2031.402 where: short stacking energy: -880.213 Base-Backbone interact. energy: -1.814 local terms energy: -919.690653 where: bonds (distance) C4'-P energy: -180.490 bonds (distance) P-C4' energy: -153.133 flat angles C4'-P-C4' energy: -187.399 flat angles P-C4'-P energy: -125.636 tors. eta vs tors. theta energy: -273.033 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: 432 Temperature: 0.950000 Total energy: -2852.351505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.351505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.351505 (E_RNA) where: Base-Base interactions energy: -2004.632 where: short stacking energy: -827.914 Base-Backbone interact. energy: -2.876 local terms energy: -844.843158 where: bonds (distance) C4'-P energy: -133.179 bonds (distance) P-C4' energy: -159.485 flat angles C4'-P-C4' energy: -179.185 flat angles P-C4'-P energy: -129.911 tors. eta vs tors. theta energy: -243.083 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: 432 Temperature: 1.000000 Total energy: -2767.298634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.298634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.298634 (E_RNA) where: Base-Base interactions energy: -1939.917 where: short stacking energy: -776.532 Base-Backbone interact. energy: -0.939 local terms energy: -826.442254 where: bonds (distance) C4'-P energy: -160.189 bonds (distance) P-C4' energy: -162.799 flat angles C4'-P-C4' energy: -172.463 flat angles P-C4'-P energy: -103.746 tors. eta vs tors. theta energy: -227.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2628.412293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.412293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.412293 (E_RNA) where: Base-Base interactions energy: -1812.817 where: short stacking energy: -772.336 Base-Backbone interact. energy: -4.911 local terms energy: -810.683899 where: bonds (distance) C4'-P energy: -141.622 bonds (distance) P-C4' energy: -148.524 flat angles C4'-P-C4' energy: -171.027 flat angles P-C4'-P energy: -121.380 tors. eta vs tors. theta energy: -228.131 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: 432 Temperature: 1.100000 Total energy: -2496.257109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.257109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.257109 (E_RNA) where: Base-Base interactions energy: -1704.204 where: short stacking energy: -708.449 Base-Backbone interact. energy: -0.229 local terms energy: -791.823567 where: bonds (distance) C4'-P energy: -155.812 bonds (distance) P-C4' energy: -157.388 flat angles C4'-P-C4' energy: -174.494 flat angles P-C4'-P energy: -106.609 tors. eta vs tors. theta energy: -197.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2088.522697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.522697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.522697 (E_RNA) where: Base-Base interactions energy: -1391.494 where: short stacking energy: -595.425 Base-Backbone interact. energy: -2.509 local terms energy: -694.520182 where: bonds (distance) C4'-P energy: -142.494 bonds (distance) P-C4' energy: -142.315 flat angles C4'-P-C4' energy: -164.447 flat angles P-C4'-P energy: -90.825 tors. eta vs tors. theta energy: -154.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1937.022153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.022153 (E_RNA) where: Base-Base interactions energy: -1238.630 where: short stacking energy: -544.528 Base-Backbone interact. energy: -2.312 local terms energy: -696.080121 where: bonds (distance) C4'-P energy: -136.575 bonds (distance) P-C4' energy: -132.241 flat angles C4'-P-C4' energy: -167.810 flat angles P-C4'-P energy: -98.670 tors. eta vs tors. theta energy: -160.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1158.869416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.869416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.869416 (E_RNA) where: Base-Base interactions energy: -666.086 where: short stacking energy: -317.969 Base-Backbone interact. energy: 6.324 local terms energy: -499.106712 where: bonds (distance) C4'-P energy: -134.177 bonds (distance) P-C4' energy: -114.193 flat angles C4'-P-C4' energy: -138.528 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: -32.258 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: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -931.244383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.244383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.244383 (E_RNA) where: Base-Base interactions energy: -460.214 where: short stacking energy: -246.454 Base-Backbone interact. energy: -2.428 local terms energy: -468.602218 where: bonds (distance) C4'-P energy: -133.425 bonds (distance) P-C4' energy: -144.288 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -79.210 tors. eta vs tors. theta energy: -7.796 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: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -730.735857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.735857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.735857 (E_RNA) where: Base-Base interactions energy: -296.777 where: short stacking energy: -191.425 Base-Backbone interact. energy: 2.520 local terms energy: -436.478917 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -128.549 flat angles C4'-P-C4' energy: -113.838 flat angles P-C4'-P energy: -71.050 tors. eta vs tors. theta energy: 13.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3000.661287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.661287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.661287 (E_RNA) where: Base-Base interactions energy: -2072.298 where: short stacking energy: -881.534 Base-Backbone interact. energy: -1.696 local terms energy: -926.667215 where: bonds (distance) C4'-P energy: -159.785 bonds (distance) P-C4' energy: -180.305 flat angles C4'-P-C4' energy: -187.037 flat angles P-C4'-P energy: -123.458 tors. eta vs tors. theta energy: -276.083 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2882.854046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.854046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.854046 (E_RNA) where: Base-Base interactions energy: -1983.558 where: short stacking energy: -838.089 Base-Backbone interact. energy: -6.055 local terms energy: -893.241436 where: bonds (distance) C4'-P energy: -158.671 bonds (distance) P-C4' energy: -158.282 flat angles C4'-P-C4' energy: -182.081 flat angles P-C4'-P energy: -140.364 tors. eta vs tors. theta energy: -253.843 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: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2730.179967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.179967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.179967 (E_RNA) where: Base-Base interactions energy: -1894.474 where: short stacking energy: -794.713 Base-Backbone interact. energy: -5.528 local terms energy: -830.178679 where: bonds (distance) C4'-P energy: -170.174 bonds (distance) P-C4' energy: -147.554 flat angles C4'-P-C4' energy: -175.778 flat angles P-C4'-P energy: -108.577 tors. eta vs tors. theta energy: -228.095 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: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2664.680416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.680416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.680416 (E_RNA) where: Base-Base interactions energy: -1846.519 where: short stacking energy: -781.569 Base-Backbone interact. energy: -2.754 local terms energy: -815.407306 where: bonds (distance) C4'-P energy: -151.574 bonds (distance) P-C4' energy: -158.960 flat angles C4'-P-C4' energy: -175.626 flat angles P-C4'-P energy: -102.109 tors. eta vs tors. theta energy: -227.139 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: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2480.710959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.710959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.710959 (E_RNA) where: Base-Base interactions energy: -1688.812 where: short stacking energy: -682.367 Base-Backbone interact. energy: -2.700 local terms energy: -789.199222 where: bonds (distance) C4'-P energy: -154.754 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -160.526 flat angles P-C4'-P energy: -114.309 tors. eta vs tors. theta energy: -204.825 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: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2107.742355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.742355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.742355 (E_RNA) where: Base-Base interactions energy: -1410.904 where: short stacking energy: -580.747 Base-Backbone interact. energy: -1.904 local terms energy: -694.934432 where: bonds (distance) C4'-P energy: -167.602 bonds (distance) P-C4' energy: -141.159 flat angles C4'-P-C4' energy: -152.278 flat angles P-C4'-P energy: -90.567 tors. eta vs tors. theta energy: -143.329 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: 433 Temperature: 1.200000 Total energy: -1910.052049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.052049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.052049 (E_RNA) where: Base-Base interactions energy: -1250.096 where: short stacking energy: -566.468 Base-Backbone interact. energy: -4.162 local terms energy: -655.794065 where: bonds (distance) C4'-P energy: -134.865 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -145.003 flat angles P-C4'-P energy: -99.585 tors. eta vs tors. theta energy: -141.631 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: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1085.646188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.646188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.646188 (E_RNA) where: Base-Base interactions energy: -603.959 where: short stacking energy: -309.527 Base-Backbone interact. energy: 0.460 local terms energy: -482.147809 where: bonds (distance) C4'-P energy: -122.249 bonds (distance) P-C4' energy: -150.491 flat angles C4'-P-C4' energy: -131.866 flat angles P-C4'-P energy: -59.873 tors. eta vs tors. theta energy: -17.669 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: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -958.803600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.803600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.803600 (E_RNA) where: Base-Base interactions energy: -468.069 where: short stacking energy: -245.622 Base-Backbone interact. energy: -0.084 local terms energy: -490.651300 where: bonds (distance) C4'-P energy: -141.574 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -143.507 flat angles P-C4'-P energy: -70.092 tors. eta vs tors. theta energy: 0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -727.772074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.772074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.772074 (E_RNA) where: Base-Base interactions energy: -299.590 where: short stacking energy: -184.171 Base-Backbone interact. energy: 2.429 local terms energy: -430.611163 where: bonds (distance) C4'-P energy: -124.222 bonds (distance) P-C4' energy: -141.645 flat angles C4'-P-C4' energy: -106.348 flat angles P-C4'-P energy: -83.976 tors. eta vs tors. theta energy: 25.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2958.501391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.501391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.501391 (E_RNA) where: Base-Base interactions energy: -2019.205 where: short stacking energy: -877.077 Base-Backbone interact. energy: -1.792 local terms energy: -937.504317 where: bonds (distance) C4'-P energy: -159.379 bonds (distance) P-C4' energy: -173.003 flat angles C4'-P-C4' energy: -196.342 flat angles P-C4'-P energy: -130.859 tors. eta vs tors. theta energy: -277.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2872.373402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.373402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.373402 (E_RNA) where: Base-Base interactions energy: -1978.104 where: short stacking energy: -810.700 Base-Backbone interact. energy: 2.335 local terms energy: -896.605036 where: bonds (distance) C4'-P energy: -155.642 bonds (distance) P-C4' energy: -174.659 flat angles C4'-P-C4' energy: -187.127 flat angles P-C4'-P energy: -113.747 tors. eta vs tors. theta energy: -265.430 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: 434 Temperature: 1.000000 Total energy: -2757.374673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.374673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.374673 (E_RNA) where: Base-Base interactions energy: -1896.654 where: short stacking energy: -738.372 Base-Backbone interact. energy: -2.157 local terms energy: -858.564088 where: bonds (distance) C4'-P energy: -158.819 bonds (distance) P-C4' energy: -163.627 flat angles C4'-P-C4' energy: -183.865 flat angles P-C4'-P energy: -126.013 tors. eta vs tors. theta energy: -226.241 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: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2580.993816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.993816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.993816 (E_RNA) where: Base-Base interactions energy: -1792.317 where: short stacking energy: -740.422 Base-Backbone interact. energy: -0.648 local terms energy: -788.028148 where: bonds (distance) C4'-P energy: -140.449 bonds (distance) P-C4' energy: -138.432 flat angles C4'-P-C4' energy: -178.864 flat angles P-C4'-P energy: -108.124 tors. eta vs tors. theta energy: -222.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2459.282712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.282712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.282712 (E_RNA) where: Base-Base interactions energy: -1688.677 where: short stacking energy: -699.218 Base-Backbone interact. energy: 2.376 local terms energy: -772.982008 where: bonds (distance) C4'-P energy: -147.688 bonds (distance) P-C4' energy: -130.190 flat angles C4'-P-C4' energy: -162.884 flat angles P-C4'-P energy: -123.933 tors. eta vs tors. theta energy: -208.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2133.268454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.268454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.268454 (E_RNA) where: Base-Base interactions energy: -1447.460 where: short stacking energy: -617.407 Base-Backbone interact. energy: -1.346 local terms energy: -684.463039 where: bonds (distance) C4'-P energy: -147.603 bonds (distance) P-C4' energy: -129.407 flat angles C4'-P-C4' energy: -156.123 flat angles P-C4'-P energy: -96.807 tors. eta vs tors. theta energy: -154.522 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: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1887.696402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.696402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.696402 (E_RNA) where: Base-Base interactions energy: -1204.816 where: short stacking energy: -510.714 Base-Backbone interact. energy: -3.741 local terms energy: -679.138795 where: bonds (distance) C4'-P energy: -154.345 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -140.076 flat angles P-C4'-P energy: -88.290 tors. eta vs tors. theta energy: -148.825 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: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1134.958424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.958424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.958424 (E_RNA) where: Base-Base interactions energy: -630.277 where: short stacking energy: -312.488 Base-Backbone interact. energy: -3.345 local terms energy: -501.336829 where: bonds (distance) C4'-P energy: -131.957 bonds (distance) P-C4' energy: -143.717 flat angles C4'-P-C4' energy: -128.595 flat angles P-C4'-P energy: -72.885 tors. eta vs tors. theta energy: -24.182 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: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -891.744839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.744839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.744839 (E_RNA) where: Base-Base interactions energy: -458.260 where: short stacking energy: -268.638 Base-Backbone interact. energy: 3.302 local terms energy: -436.786781 where: bonds (distance) C4'-P energy: -108.321 bonds (distance) P-C4' energy: -148.603 flat angles C4'-P-C4' energy: -104.808 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -3.998 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: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -748.975436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.975436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.975436 (E_RNA) where: Base-Base interactions energy: -320.833 where: short stacking energy: -216.735 Base-Backbone interact. energy: 1.538 local terms energy: -429.680142 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -120.035 flat angles C4'-P-C4' energy: -109.112 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: 11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2973.652115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.652115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.652115 (E_RNA) where: Base-Base interactions energy: -2038.439 where: short stacking energy: -891.048 Base-Backbone interact. energy: -3.191 local terms energy: -932.022600 where: bonds (distance) C4'-P energy: -175.524 bonds (distance) P-C4' energy: -165.210 flat angles C4'-P-C4' energy: -191.974 flat angles P-C4'-P energy: -124.405 tors. eta vs tors. theta energy: -274.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2871.896274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.896274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.896274 (E_RNA) where: Base-Base interactions energy: -1994.096 where: short stacking energy: -848.624 Base-Backbone interact. energy: 1.157 local terms energy: -878.956765 where: bonds (distance) C4'-P energy: -145.941 bonds (distance) P-C4' energy: -155.418 flat angles C4'-P-C4' energy: -196.538 flat angles P-C4'-P energy: -123.426 tors. eta vs tors. theta energy: -257.633 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: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2782.339952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.339952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.339952 (E_RNA) where: Base-Base interactions energy: -1947.272 where: short stacking energy: -785.109 Base-Backbone interact. energy: 6.308 local terms energy: -841.375702 where: bonds (distance) C4'-P energy: -154.024 bonds (distance) P-C4' energy: -148.439 flat angles C4'-P-C4' energy: -186.235 flat angles P-C4'-P energy: -110.055 tors. eta vs tors. theta energy: -242.623 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: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2586.895352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.895352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.895352 (E_RNA) where: Base-Base interactions energy: -1808.553 where: short stacking energy: -741.536 Base-Backbone interact. energy: -5.703 local terms energy: -772.639798 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -152.945 flat angles C4'-P-C4' energy: -156.991 flat angles P-C4'-P energy: -105.013 tors. eta vs tors. theta energy: -213.545 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: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2433.769608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.769608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.769608 (E_RNA) where: Base-Base interactions energy: -1666.871 where: short stacking energy: -689.722 Base-Backbone interact. energy: -1.934 local terms energy: -764.965406 where: bonds (distance) C4'-P energy: -154.991 bonds (distance) P-C4' energy: -157.088 flat angles C4'-P-C4' energy: -170.281 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: -197.329 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: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2115.572092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.572092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.572092 (E_RNA) where: Base-Base interactions energy: -1406.650 where: short stacking energy: -597.574 Base-Backbone interact. energy: -4.599 local terms energy: -704.323808 where: bonds (distance) C4'-P energy: -157.963 bonds (distance) P-C4' energy: -152.525 flat angles C4'-P-C4' energy: -153.096 flat angles P-C4'-P energy: -87.846 tors. eta vs tors. theta energy: -152.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1966.070833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.070833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.070833 (E_RNA) where: Base-Base interactions energy: -1287.858 where: short stacking energy: -567.171 Base-Backbone interact. energy: -3.941 local terms energy: -674.271598 where: bonds (distance) C4'-P energy: -142.164 bonds (distance) P-C4' energy: -138.153 flat angles C4'-P-C4' energy: -140.564 flat angles P-C4'-P energy: -108.319 tors. eta vs tors. theta energy: -145.071 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: 8, replica: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1126.076740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.076740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.076740 (E_RNA) where: Base-Base interactions energy: -611.512 where: short stacking energy: -303.633 Base-Backbone interact. energy: -0.349 local terms energy: -514.215514 where: bonds (distance) C4'-P energy: -128.964 bonds (distance) P-C4' energy: -162.486 flat angles C4'-P-C4' energy: -132.673 flat angles P-C4'-P energy: -76.318 tors. eta vs tors. theta energy: -13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -896.572503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.572503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.572503 (E_RNA) where: Base-Base interactions energy: -458.606 where: short stacking energy: -280.913 Base-Backbone interact. energy: -2.976 local terms energy: -434.990568 where: bonds (distance) C4'-P energy: -141.479 bonds (distance) P-C4' energy: -127.854 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -64.113 tors. eta vs tors. theta energy: 7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -723.816974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.816974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.816974 (E_RNA) where: Base-Base interactions energy: -308.732 where: short stacking energy: -201.621 Base-Backbone interact. energy: -0.470 local terms energy: -414.615185 where: bonds (distance) C4'-P energy: -101.766 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -109.635 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: 14.479 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2950.880886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.880886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.880886 (E_RNA) where: Base-Base interactions energy: -2028.583 where: short stacking energy: -862.029 Base-Backbone interact. energy: -0.732 local terms energy: -921.566429 where: bonds (distance) C4'-P energy: -163.206 bonds (distance) P-C4' energy: -178.231 flat angles C4'-P-C4' energy: -181.667 flat angles P-C4'-P energy: -128.843 tors. eta vs tors. theta energy: -269.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2870.945824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.945824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.945824 (E_RNA) where: Base-Base interactions energy: -2005.075 where: short stacking energy: -819.101 Base-Backbone interact. energy: 1.938 local terms energy: -867.809694 where: bonds (distance) C4'-P energy: -160.485 bonds (distance) P-C4' energy: -142.940 flat angles C4'-P-C4' energy: -185.262 flat angles P-C4'-P energy: -129.981 tors. eta vs tors. theta energy: -249.142 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: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2717.284851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.284851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.284851 (E_RNA) where: Base-Base interactions energy: -1875.615 where: short stacking energy: -773.488 Base-Backbone interact. energy: -1.375 local terms energy: -840.294194 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -160.710 flat angles C4'-P-C4' energy: -180.524 flat angles P-C4'-P energy: -119.719 tors. eta vs tors. theta energy: -235.500 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: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2607.480639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.480639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.480639 (E_RNA) where: Base-Base interactions energy: -1801.388 where: short stacking energy: -761.032 Base-Backbone interact. energy: -1.991 local terms energy: -804.101222 where: bonds (distance) C4'-P energy: -134.421 bonds (distance) P-C4' energy: -157.712 flat angles C4'-P-C4' energy: -176.721 flat angles P-C4'-P energy: -106.950 tors. eta vs tors. theta energy: -228.296 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2465.217153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.217153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.217153 (E_RNA) where: Base-Base interactions energy: -1699.754 where: short stacking energy: -690.001 Base-Backbone interact. energy: -0.507 local terms energy: -764.955656 where: bonds (distance) C4'-P energy: -137.276 bonds (distance) P-C4' energy: -153.386 flat angles C4'-P-C4' energy: -173.423 flat angles P-C4'-P energy: -114.570 tors. eta vs tors. theta energy: -186.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2122.404788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.404788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.404788 (E_RNA) where: Base-Base interactions energy: -1451.370 where: short stacking energy: -625.190 Base-Backbone interact. energy: 5.908 local terms energy: -676.943455 where: bonds (distance) C4'-P energy: -131.864 bonds (distance) P-C4' energy: -138.290 flat angles C4'-P-C4' energy: -158.196 flat angles P-C4'-P energy: -106.718 tors. eta vs tors. theta energy: -141.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2065.868840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.868840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.868840 (E_RNA) where: Base-Base interactions energy: -1368.969 where: short stacking energy: -585.800 Base-Backbone interact. energy: 0.097 local terms energy: -696.996745 where: bonds (distance) C4'-P energy: -140.592 bonds (distance) P-C4' energy: -140.378 flat angles C4'-P-C4' energy: -161.614 flat angles P-C4'-P energy: -94.761 tors. eta vs tors. theta energy: -159.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1014.672781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.672781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.672781 (E_RNA) where: Base-Base interactions energy: -514.632 where: short stacking energy: -262.195 Base-Backbone interact. energy: -0.066 local terms energy: -499.975642 where: bonds (distance) C4'-P energy: -138.931 bonds (distance) P-C4' energy: -125.518 flat angles C4'-P-C4' energy: -132.222 flat angles P-C4'-P energy: -95.892 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: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -921.748794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.748794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.748794 (E_RNA) where: Base-Base interactions energy: -449.228 where: short stacking energy: -253.132 Base-Backbone interact. energy: -2.773 local terms energy: -469.747855 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -120.100 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -687.044918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.044918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.044918 (E_RNA) where: Base-Base interactions energy: -301.874 where: short stacking energy: -212.800 Base-Backbone interact. energy: 6.260 local terms energy: -391.431430 where: bonds (distance) C4'-P energy: -146.069 bonds (distance) P-C4' energy: -117.614 flat angles C4'-P-C4' energy: -90.962 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: 26.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2954.621725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.621725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.621725 (E_RNA) where: Base-Base interactions energy: -2010.085 where: short stacking energy: -874.766 Base-Backbone interact. energy: -6.219 local terms energy: -938.317708 where: bonds (distance) C4'-P energy: -173.945 bonds (distance) P-C4' energy: -186.642 flat angles C4'-P-C4' energy: -181.570 flat angles P-C4'-P energy: -129.825 tors. eta vs tors. theta energy: -266.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2858.164826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.164826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.164826 (E_RNA) where: Base-Base interactions energy: -1993.445 where: short stacking energy: -835.642 Base-Backbone interact. energy: -3.657 local terms energy: -861.062999 where: bonds (distance) C4'-P energy: -149.525 bonds (distance) P-C4' energy: -161.894 flat angles C4'-P-C4' energy: -176.916 flat angles P-C4'-P energy: -122.521 tors. eta vs tors. theta energy: -250.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2714.459542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.459542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.459542 (E_RNA) where: Base-Base interactions energy: -1882.297 where: short stacking energy: -774.822 Base-Backbone interact. energy: -5.192 local terms energy: -826.971112 where: bonds (distance) C4'-P energy: -152.225 bonds (distance) P-C4' energy: -152.426 flat angles C4'-P-C4' energy: -181.612 flat angles P-C4'-P energy: -121.364 tors. eta vs tors. theta energy: -219.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2572.430830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.430830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.430830 (E_RNA) where: Base-Base interactions energy: -1784.732 where: short stacking energy: -741.286 Base-Backbone interact. energy: 4.156 local terms energy: -791.854354 where: bonds (distance) C4'-P energy: -170.740 bonds (distance) P-C4' energy: -117.034 flat angles C4'-P-C4' energy: -169.098 flat angles P-C4'-P energy: -117.993 tors. eta vs tors. theta energy: -216.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2472.858129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.858129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.858129 (E_RNA) where: Base-Base interactions energy: -1689.740 where: short stacking energy: -678.969 Base-Backbone interact. energy: -3.009 local terms energy: -780.109408 where: bonds (distance) C4'-P energy: -161.905 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -164.439 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -203.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2129.364438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.364438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.364438 (E_RNA) where: Base-Base interactions energy: -1405.660 where: short stacking energy: -593.654 Base-Backbone interact. energy: -5.312 local terms energy: -718.392951 where: bonds (distance) C4'-P energy: -131.759 bonds (distance) P-C4' energy: -151.587 flat angles C4'-P-C4' energy: -157.971 flat angles P-C4'-P energy: -105.595 tors. eta vs tors. theta energy: -171.481 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2155.075146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.075146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.075146 (E_RNA) where: Base-Base interactions energy: -1468.890 where: short stacking energy: -613.791 Base-Backbone interact. energy: 1.987 local terms energy: -688.172220 where: bonds (distance) C4'-P energy: -135.012 bonds (distance) P-C4' energy: -131.232 flat angles C4'-P-C4' energy: -151.496 flat angles P-C4'-P energy: -103.802 tors. eta vs tors. theta energy: -166.629 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: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -995.953505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.953505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.953505 (E_RNA) where: Base-Base interactions energy: -503.601 where: short stacking energy: -301.895 Base-Backbone interact. energy: -0.260 local terms energy: -492.093365 where: bonds (distance) C4'-P energy: -138.411 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -119.683 flat angles P-C4'-P energy: -77.833 tors. eta vs tors. theta energy: -13.412 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: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -910.059265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.059265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.059265 (E_RNA) where: Base-Base interactions energy: -418.515 where: short stacking energy: -262.096 Base-Backbone interact. energy: -2.987 local terms energy: -488.556603 where: bonds (distance) C4'-P energy: -143.683 bonds (distance) P-C4' energy: -131.648 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -80.658 tors. eta vs tors. theta energy: 2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -695.815128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.815128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.815128 (E_RNA) where: Base-Base interactions energy: -271.494 where: short stacking energy: -188.727 Base-Backbone interact. energy: -3.834 local terms energy: -420.486341 where: bonds (distance) C4'-P energy: -122.685 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -115.841 flat angles P-C4'-P energy: -94.536 tors. eta vs tors. theta energy: 40.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2957.423761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.423761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.423761 (E_RNA) where: Base-Base interactions energy: -2019.942 where: short stacking energy: -862.624 Base-Backbone interact. energy: -3.227 local terms energy: -934.255502 where: bonds (distance) C4'-P energy: -162.303 bonds (distance) P-C4' energy: -185.365 flat angles C4'-P-C4' energy: -198.693 flat angles P-C4'-P energy: -123.457 tors. eta vs tors. theta energy: -264.438 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: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2848.127160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.127160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.127160 (E_RNA) where: Base-Base interactions energy: -1978.230 where: short stacking energy: -837.560 Base-Backbone interact. energy: -1.739 local terms energy: -868.157920 where: bonds (distance) C4'-P energy: -152.852 bonds (distance) P-C4' energy: -156.819 flat angles C4'-P-C4' energy: -178.119 flat angles P-C4'-P energy: -130.953 tors. eta vs tors. theta energy: -249.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2769.166140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.166140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.166140 (E_RNA) where: Base-Base interactions energy: -1934.191 where: short stacking energy: -797.497 Base-Backbone interact. energy: -0.007 local terms energy: -834.967894 where: bonds (distance) C4'-P energy: -154.947 bonds (distance) P-C4' energy: -152.366 flat angles C4'-P-C4' energy: -171.369 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -236.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2557.808606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.808606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.808606 (E_RNA) where: Base-Base interactions energy: -1756.232 where: short stacking energy: -736.179 Base-Backbone interact. energy: -1.885 local terms energy: -799.691753 where: bonds (distance) C4'-P energy: -138.273 bonds (distance) P-C4' energy: -150.746 flat angles C4'-P-C4' energy: -173.893 flat angles P-C4'-P energy: -115.833 tors. eta vs tors. theta energy: -220.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2470.245940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.245940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.245940 (E_RNA) where: Base-Base interactions energy: -1690.190 where: short stacking energy: -722.659 Base-Backbone interact. energy: -2.324 local terms energy: -777.732269 where: bonds (distance) C4'-P energy: -144.458 bonds (distance) P-C4' energy: -153.227 flat angles C4'-P-C4' energy: -162.436 flat angles P-C4'-P energy: -106.762 tors. eta vs tors. theta energy: -210.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2054.792806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.792806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.792806 (E_RNA) where: Base-Base interactions energy: -1378.297 where: short stacking energy: -568.077 Base-Backbone interact. energy: -3.410 local terms energy: -673.085749 where: bonds (distance) C4'-P energy: -145.886 bonds (distance) P-C4' energy: -135.745 flat angles C4'-P-C4' energy: -144.964 flat angles P-C4'-P energy: -91.756 tors. eta vs tors. theta energy: -154.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1974.516912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.516912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.516912 (E_RNA) where: Base-Base interactions energy: -1331.519 where: short stacking energy: -574.965 Base-Backbone interact. energy: -0.887 local terms energy: -642.111523 where: bonds (distance) C4'-P energy: -137.798 bonds (distance) P-C4' energy: -134.706 flat angles C4'-P-C4' energy: -144.879 flat angles P-C4'-P energy: -81.409 tors. eta vs tors. theta energy: -143.319 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: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -992.855303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.855303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.855303 (E_RNA) where: Base-Base interactions energy: -490.878 where: short stacking energy: -291.783 Base-Backbone interact. energy: -2.428 local terms energy: -499.549487 where: bonds (distance) C4'-P energy: -141.440 bonds (distance) P-C4' energy: -147.059 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -53.069 tors. eta vs tors. theta energy: -32.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -910.348870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.348870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.348870 (E_RNA) where: Base-Base interactions energy: -432.938 where: short stacking energy: -232.706 Base-Backbone interact. energy: -3.752 local terms energy: -473.659277 where: bonds (distance) C4'-P energy: -137.504 bonds (distance) P-C4' energy: -138.651 flat angles C4'-P-C4' energy: -109.604 flat angles P-C4'-P energy: -83.055 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -747.987299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.987299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.987299 (E_RNA) where: Base-Base interactions energy: -306.827 where: short stacking energy: -183.369 Base-Backbone interact. energy: 4.934 local terms energy: -446.093644 where: bonds (distance) C4'-P energy: -148.752 bonds (distance) P-C4' energy: -157.205 flat angles C4'-P-C4' energy: -112.631 flat angles P-C4'-P energy: -66.140 tors. eta vs tors. theta energy: 38.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2925.509742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.509742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.509742 (E_RNA) where: Base-Base interactions energy: -2019.627 where: short stacking energy: -851.264 Base-Backbone interact. energy: -4.704 local terms energy: -901.178484 where: bonds (distance) C4'-P energy: -169.516 bonds (distance) P-C4' energy: -163.056 flat angles C4'-P-C4' energy: -187.433 flat angles P-C4'-P energy: -120.662 tors. eta vs tors. theta energy: -260.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2862.230047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.230047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.230047 (E_RNA) where: Base-Base interactions energy: -1949.408 where: short stacking energy: -805.109 Base-Backbone interact. energy: -5.308 local terms energy: -907.513627 where: bonds (distance) C4'-P energy: -166.846 bonds (distance) P-C4' energy: -168.974 flat angles C4'-P-C4' energy: -186.021 flat angles P-C4'-P energy: -135.721 tors. eta vs tors. theta energy: -249.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2732.289482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.289482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.289482 (E_RNA) where: Base-Base interactions energy: -1869.288 where: short stacking energy: -782.889 Base-Backbone interact. energy: -2.375 local terms energy: -860.626395 where: bonds (distance) C4'-P energy: -169.873 bonds (distance) P-C4' energy: -157.441 flat angles C4'-P-C4' energy: -177.032 flat angles P-C4'-P energy: -118.726 tors. eta vs tors. theta energy: -237.554 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: 439 Temperature: 1.050000 Total energy: -2534.155106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.155106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.155106 (E_RNA) where: Base-Base interactions energy: -1741.979 where: short stacking energy: -706.112 Base-Backbone interact. energy: 3.932 local terms energy: -796.107762 where: bonds (distance) C4'-P energy: -147.075 bonds (distance) P-C4' energy: -152.781 flat angles C4'-P-C4' energy: -178.660 flat angles P-C4'-P energy: -113.052 tors. eta vs tors. theta energy: -204.539 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: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2516.467013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.467013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.467013 (E_RNA) where: Base-Base interactions energy: -1753.624 where: short stacking energy: -724.395 Base-Backbone interact. energy: -4.375 local terms energy: -758.468010 where: bonds (distance) C4'-P energy: -148.139 bonds (distance) P-C4' energy: -141.452 flat angles C4'-P-C4' energy: -163.341 flat angles P-C4'-P energy: -104.799 tors. eta vs tors. theta energy: -200.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2148.346100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.346100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.346100 (E_RNA) where: Base-Base interactions energy: -1432.284 where: short stacking energy: -623.336 Base-Backbone interact. energy: -1.517 local terms energy: -714.545486 where: bonds (distance) C4'-P energy: -137.000 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -156.669 flat angles P-C4'-P energy: -94.937 tors. eta vs tors. theta energy: -180.553 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1937.534755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.534755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.534755 (E_RNA) where: Base-Base interactions energy: -1279.913 where: short stacking energy: -560.193 Base-Backbone interact. energy: -2.970 local terms energy: -654.652400 where: bonds (distance) C4'-P energy: -135.307 bonds (distance) P-C4' energy: -143.256 flat angles C4'-P-C4' energy: -143.451 flat angles P-C4'-P energy: -97.901 tors. eta vs tors. theta energy: -134.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1101.715423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.715423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.715423 (E_RNA) where: Base-Base interactions energy: -601.071 where: short stacking energy: -305.063 Base-Backbone interact. energy: 1.108 local terms energy: -501.751843 where: bonds (distance) C4'-P energy: -115.015 bonds (distance) P-C4' energy: -131.500 flat angles C4'-P-C4' energy: -148.012 flat angles P-C4'-P energy: -77.750 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: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -854.422593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.422593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.422593 (E_RNA) where: Base-Base interactions energy: -393.780 where: short stacking energy: -252.951 Base-Backbone interact. energy: 3.352 local terms energy: -463.993804 where: bonds (distance) C4'-P energy: -123.977 bonds (distance) P-C4' energy: -159.570 flat angles C4'-P-C4' energy: -126.284 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: 6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -810.801484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.801484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.801484 (E_RNA) where: Base-Base interactions energy: -393.934 where: short stacking energy: -222.457 Base-Backbone interact. energy: 11.264 local terms energy: -428.131228 where: bonds (distance) C4'-P energy: -121.738 bonds (distance) P-C4' energy: -123.404 flat angles C4'-P-C4' energy: -135.082 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: 15.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2920.988885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.988885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.988885 (E_RNA) where: Base-Base interactions energy: -2040.340 where: short stacking energy: -877.304 Base-Backbone interact. energy: -3.936 local terms energy: -876.712141 where: bonds (distance) C4'-P energy: -142.998 bonds (distance) P-C4' energy: -170.556 flat angles C4'-P-C4' energy: -183.182 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -271.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2873.183722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.183722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.183722 (E_RNA) where: Base-Base interactions energy: -1986.386 where: short stacking energy: -829.590 Base-Backbone interact. energy: -6.849 local terms energy: -879.949271 where: bonds (distance) C4'-P energy: -155.184 bonds (distance) P-C4' energy: -167.323 flat angles C4'-P-C4' energy: -184.569 flat angles P-C4'-P energy: -133.025 tors. eta vs tors. theta energy: -239.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2724.173856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.173856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.173856 (E_RNA) where: Base-Base interactions energy: -1910.884 where: short stacking energy: -779.265 Base-Backbone interact. energy: 1.184 local terms energy: -814.473744 where: bonds (distance) C4'-P energy: -138.891 bonds (distance) P-C4' energy: -162.498 flat angles C4'-P-C4' energy: -182.996 flat angles P-C4'-P energy: -105.497 tors. eta vs tors. theta energy: -224.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2526.135076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.135076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.135076 (E_RNA) where: Base-Base interactions energy: -1723.445 where: short stacking energy: -707.554 Base-Backbone interact. energy: -1.917 local terms energy: -800.773567 where: bonds (distance) C4'-P energy: -143.676 bonds (distance) P-C4' energy: -156.582 flat angles C4'-P-C4' energy: -176.165 flat angles P-C4'-P energy: -110.427 tors. eta vs tors. theta energy: -213.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2497.303564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.303564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.303564 (E_RNA) where: Base-Base interactions energy: -1713.674 where: short stacking energy: -704.356 Base-Backbone interact. energy: -3.468 local terms energy: -780.161320 where: bonds (distance) C4'-P energy: -136.631 bonds (distance) P-C4' energy: -157.675 flat angles C4'-P-C4' energy: -166.604 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -215.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2190.034590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.034590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.034590 (E_RNA) where: Base-Base interactions energy: -1470.779 where: short stacking energy: -620.595 Base-Backbone interact. energy: -1.880 local terms energy: -717.376113 where: bonds (distance) C4'-P energy: -126.683 bonds (distance) P-C4' energy: -143.435 flat angles C4'-P-C4' energy: -167.554 flat angles P-C4'-P energy: -112.769 tors. eta vs tors. theta energy: -166.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1919.441566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.441566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.441566 (E_RNA) where: Base-Base interactions energy: -1281.039 where: short stacking energy: -563.513 Base-Backbone interact. energy: -0.640 local terms energy: -637.762583 where: bonds (distance) C4'-P energy: -140.618 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -125.870 flat angles P-C4'-P energy: -103.323 tors. eta vs tors. theta energy: -133.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1083.294386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.294386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.294386 (E_RNA) where: Base-Base interactions energy: -579.024 where: short stacking energy: -302.014 Base-Backbone interact. energy: -1.908 local terms energy: -502.362447 where: bonds (distance) C4'-P energy: -128.279 bonds (distance) P-C4' energy: -154.957 flat angles C4'-P-C4' energy: -119.823 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -21.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -849.479299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.479299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.479299 (E_RNA) where: Base-Base interactions energy: -423.661 where: short stacking energy: -232.700 Base-Backbone interact. energy: 9.281 local terms energy: -435.098442 where: bonds (distance) C4'-P energy: -133.089 bonds (distance) P-C4' energy: -139.079 flat angles C4'-P-C4' energy: -120.598 flat angles P-C4'-P energy: -57.744 tors. eta vs tors. theta energy: 15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -841.438776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.438776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.438776 (E_RNA) where: Base-Base interactions energy: -406.335 where: short stacking energy: -228.200 Base-Backbone interact. energy: 0.169 local terms energy: -435.272809 where: bonds (distance) C4'-P energy: -126.491 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -68.832 tors. eta vs tors. theta energy: 6.070 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: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2931.349769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.349769 (E_RNA) where: Base-Base interactions energy: -2019.266 where: short stacking energy: -866.377 Base-Backbone interact. energy: -3.874 local terms energy: -908.209279 where: bonds (distance) C4'-P energy: -161.391 bonds (distance) P-C4' energy: -165.347 flat angles C4'-P-C4' energy: -186.751 flat angles P-C4'-P energy: -128.169 tors. eta vs tors. theta energy: -266.550 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: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2882.789151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.789151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.789151 (E_RNA) where: Base-Base interactions energy: -1989.629 where: short stacking energy: -837.787 Base-Backbone interact. energy: -1.173 local terms energy: -891.987286 where: bonds (distance) C4'-P energy: -164.769 bonds (distance) P-C4' energy: -176.504 flat angles C4'-P-C4' energy: -173.202 flat angles P-C4'-P energy: -124.435 tors. eta vs tors. theta energy: -253.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2730.401206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.401206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.401206 (E_RNA) where: Base-Base interactions energy: -1901.529 where: short stacking energy: -772.659 Base-Backbone interact. energy: -3.719 local terms energy: -825.152613 where: bonds (distance) C4'-P energy: -143.790 bonds (distance) P-C4' energy: -148.568 flat angles C4'-P-C4' energy: -188.435 flat angles P-C4'-P energy: -113.560 tors. eta vs tors. theta energy: -230.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2552.199201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.199201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.199201 (E_RNA) where: Base-Base interactions energy: -1756.699 where: short stacking energy: -719.128 Base-Backbone interact. energy: -4.722 local terms energy: -790.777822 where: bonds (distance) C4'-P energy: -144.354 bonds (distance) P-C4' energy: -161.839 flat angles C4'-P-C4' energy: -166.786 flat angles P-C4'-P energy: -113.820 tors. eta vs tors. theta energy: -203.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2507.573931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.573931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.573931 (E_RNA) where: Base-Base interactions energy: -1677.833 where: short stacking energy: -742.786 Base-Backbone interact. energy: -1.737 local terms energy: -828.004424 where: bonds (distance) C4'-P energy: -151.948 bonds (distance) P-C4' energy: -159.464 flat angles C4'-P-C4' energy: -168.053 flat angles P-C4'-P energy: -130.653 tors. eta vs tors. theta energy: -217.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2217.253248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.253248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.253248 (E_RNA) where: Base-Base interactions energy: -1486.213 where: short stacking energy: -650.808 Base-Backbone interact. energy: 1.826 local terms energy: -732.866258 where: bonds (distance) C4'-P energy: -132.342 bonds (distance) P-C4' energy: -146.631 flat angles C4'-P-C4' energy: -169.581 flat angles P-C4'-P energy: -107.492 tors. eta vs tors. theta energy: -176.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1973.093835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.093835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.093835 (E_RNA) where: Base-Base interactions energy: -1295.583 where: short stacking energy: -558.367 Base-Backbone interact. energy: -2.503 local terms energy: -675.007122 where: bonds (distance) C4'-P energy: -149.574 bonds (distance) P-C4' energy: -140.651 flat angles C4'-P-C4' energy: -147.165 flat angles P-C4'-P energy: -90.200 tors. eta vs tors. theta energy: -147.417 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: 8, replica: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1049.305548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.305548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.305548 (E_RNA) where: Base-Base interactions energy: -580.555 where: short stacking energy: -302.328 Base-Backbone interact. energy: -0.012 local terms energy: -468.738448 where: bonds (distance) C4'-P energy: -106.593 bonds (distance) P-C4' energy: -149.607 flat angles C4'-P-C4' energy: -121.382 flat angles P-C4'-P energy: -77.211 tors. eta vs tors. theta energy: -13.945 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: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -843.409049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.409049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.409049 (E_RNA) where: Base-Base interactions energy: -371.903 where: short stacking energy: -243.198 Base-Backbone interact. energy: -4.840 local terms energy: -466.665358 where: bonds (distance) C4'-P energy: -129.489 bonds (distance) P-C4' energy: -144.133 flat angles C4'-P-C4' energy: -127.285 flat angles P-C4'-P energy: -69.783 tors. eta vs tors. theta energy: 4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -859.969518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.969518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.969518 (E_RNA) where: Base-Base interactions energy: -402.537 where: short stacking energy: -238.581 Base-Backbone interact. energy: -3.394 local terms energy: -454.038750 where: bonds (distance) C4'-P energy: -129.973 bonds (distance) P-C4' energy: -151.721 flat angles C4'-P-C4' energy: -118.676 flat angles P-C4'-P energy: -65.768 tors. eta vs tors. theta energy: 12.098 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: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2950.399299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.399299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.399299 (E_RNA) where: Base-Base interactions energy: -2063.827 where: short stacking energy: -855.200 Base-Backbone interact. energy: -4.559 local terms energy: -882.013756 where: bonds (distance) C4'-P energy: -150.359 bonds (distance) P-C4' energy: -156.746 flat angles C4'-P-C4' energy: -194.663 flat angles P-C4'-P energy: -117.201 tors. eta vs tors. theta energy: -263.045 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: 442 Temperature: 0.950000 Total energy: -2855.777819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.777819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.777819 (E_RNA) where: Base-Base interactions energy: -2003.957 where: short stacking energy: -831.918 Base-Backbone interact. energy: -2.946 local terms energy: -848.875653 where: bonds (distance) C4'-P energy: -145.094 bonds (distance) P-C4' energy: -158.181 flat angles C4'-P-C4' energy: -174.685 flat angles P-C4'-P energy: -125.330 tors. eta vs tors. theta energy: -245.586 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: 442 Temperature: 1.000000 Total energy: -2744.128020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.128020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.128020 (E_RNA) where: Base-Base interactions energy: -1909.602 where: short stacking energy: -806.531 Base-Backbone interact. energy: -3.609 local terms energy: -830.916952 where: bonds (distance) C4'-P energy: -163.922 bonds (distance) P-C4' energy: -145.139 flat angles C4'-P-C4' energy: -177.592 flat angles P-C4'-P energy: -112.495 tors. eta vs tors. theta energy: -231.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2566.180202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.180202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.180202 (E_RNA) where: Base-Base interactions energy: -1777.754 where: short stacking energy: -714.084 Base-Backbone interact. energy: -2.146 local terms energy: -786.280142 where: bonds (distance) C4'-P energy: -151.798 bonds (distance) P-C4' energy: -161.416 flat angles C4'-P-C4' energy: -177.512 flat angles P-C4'-P energy: -108.604 tors. eta vs tors. theta energy: -186.951 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2502.170693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.170693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.170693 (E_RNA) where: Base-Base interactions energy: -1685.879 where: short stacking energy: -721.189 Base-Backbone interact. energy: -3.046 local terms energy: -813.245767 where: bonds (distance) C4'-P energy: -154.591 bonds (distance) P-C4' energy: -168.510 flat angles C4'-P-C4' energy: -176.787 flat angles P-C4'-P energy: -96.767 tors. eta vs tors. theta energy: -216.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2299.372752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.372752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.372752 (E_RNA) where: Base-Base interactions energy: -1583.397 where: short stacking energy: -665.240 Base-Backbone interact. energy: -4.654 local terms energy: -711.321821 where: bonds (distance) C4'-P energy: -150.242 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -149.403 flat angles P-C4'-P energy: -91.346 tors. eta vs tors. theta energy: -181.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1933.426409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.426409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.426409 (E_RNA) where: Base-Base interactions energy: -1300.803 where: short stacking energy: -587.415 Base-Backbone interact. energy: 12.403 local terms energy: -645.026351 where: bonds (distance) C4'-P energy: -138.967 bonds (distance) P-C4' energy: -129.014 flat angles C4'-P-C4' energy: -152.058 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -144.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1007.889800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.889800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.889800 (E_RNA) where: Base-Base interactions energy: -521.483 where: short stacking energy: -289.421 Base-Backbone interact. energy: -3.314 local terms energy: -483.092947 where: bonds (distance) C4'-P energy: -129.435 bonds (distance) P-C4' energy: -145.235 flat angles C4'-P-C4' energy: -113.715 flat angles P-C4'-P energy: -75.713 tors. eta vs tors. theta energy: -18.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -831.551270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.551270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.551270 (E_RNA) where: Base-Base interactions energy: -400.067 where: short stacking energy: -237.851 Base-Backbone interact. energy: -1.233 local terms energy: -430.251881 where: bonds (distance) C4'-P energy: -142.626 bonds (distance) P-C4' energy: -147.291 flat angles C4'-P-C4' energy: -89.091 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: 20.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -834.921778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.921778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.921778 (E_RNA) where: Base-Base interactions energy: -426.245 where: short stacking energy: -237.545 Base-Backbone interact. energy: -1.417 local terms energy: -407.260009 where: bonds (distance) C4'-P energy: -116.557 bonds (distance) P-C4' energy: -110.936 flat angles C4'-P-C4' energy: -117.674 flat angles P-C4'-P energy: -69.678 tors. eta vs tors. theta energy: 7.585 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: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2942.692499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.692499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.692499 (E_RNA) where: Base-Base interactions energy: -2040.258 where: short stacking energy: -846.622 Base-Backbone interact. energy: -3.475 local terms energy: -898.959384 where: bonds (distance) C4'-P energy: -171.156 bonds (distance) P-C4' energy: -156.181 flat angles C4'-P-C4' energy: -190.620 flat angles P-C4'-P energy: -126.075 tors. eta vs tors. theta energy: -254.928 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: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2886.045802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.045802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.045802 (E_RNA) where: Base-Base interactions energy: -1997.387 where: short stacking energy: -804.960 Base-Backbone interact. energy: -0.190 local terms energy: -888.469128 where: bonds (distance) C4'-P energy: -152.340 bonds (distance) P-C4' energy: -169.175 flat angles C4'-P-C4' energy: -179.021 flat angles P-C4'-P energy: -133.770 tors. eta vs tors. theta energy: -254.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2744.222858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.222858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.222858 (E_RNA) where: Base-Base interactions energy: -1898.045 where: short stacking energy: -801.287 Base-Backbone interact. energy: -1.065 local terms energy: -845.112664 where: bonds (distance) C4'-P energy: -155.258 bonds (distance) P-C4' energy: -163.525 flat angles C4'-P-C4' energy: -176.560 flat angles P-C4'-P energy: -116.768 tors. eta vs tors. theta energy: -233.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2559.353691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.353691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.353691 (E_RNA) where: Base-Base interactions energy: -1782.453 where: short stacking energy: -719.273 Base-Backbone interact. energy: 3.461 local terms energy: -780.362031 where: bonds (distance) C4'-P energy: -154.278 bonds (distance) P-C4' energy: -130.720 flat angles C4'-P-C4' energy: -171.177 flat angles P-C4'-P energy: -114.827 tors. eta vs tors. theta energy: -209.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2490.114123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.114123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.114123 (E_RNA) where: Base-Base interactions energy: -1679.935 where: short stacking energy: -702.472 Base-Backbone interact. energy: -0.238 local terms energy: -809.941582 where: bonds (distance) C4'-P energy: -146.414 bonds (distance) P-C4' energy: -164.343 flat angles C4'-P-C4' energy: -166.398 flat angles P-C4'-P energy: -123.224 tors. eta vs tors. theta energy: -209.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2287.077589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.077589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.077589 (E_RNA) where: Base-Base interactions energy: -1566.951 where: short stacking energy: -664.616 Base-Backbone interact. energy: -3.008 local terms energy: -717.118334 where: bonds (distance) C4'-P energy: -132.684 bonds (distance) P-C4' energy: -136.737 flat angles C4'-P-C4' energy: -158.104 flat angles P-C4'-P energy: -102.784 tors. eta vs tors. theta energy: -186.809 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: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1888.132785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.132785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.132785 (E_RNA) where: Base-Base interactions energy: -1278.143 where: short stacking energy: -551.445 Base-Backbone interact. energy: 2.660 local terms energy: -612.649151 where: bonds (distance) C4'-P energy: -116.427 bonds (distance) P-C4' energy: -128.470 flat angles C4'-P-C4' energy: -149.380 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -120.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1108.700436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.700436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.700436 (E_RNA) where: Base-Base interactions energy: -604.858 where: short stacking energy: -284.140 Base-Backbone interact. energy: 1.700 local terms energy: -505.542662 where: bonds (distance) C4'-P energy: -117.447 bonds (distance) P-C4' energy: -141.479 flat angles C4'-P-C4' energy: -126.110 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -25.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -884.123385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.123385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.123385 (E_RNA) where: Base-Base interactions energy: -421.187 where: short stacking energy: -256.347 Base-Backbone interact. energy: 9.640 local terms energy: -472.576365 where: bonds (distance) C4'-P energy: -152.020 bonds (distance) P-C4' energy: -121.941 flat angles C4'-P-C4' energy: -130.341 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: 10.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -920.265517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.265517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.265517 (E_RNA) where: Base-Base interactions energy: -476.258 where: short stacking energy: -250.615 Base-Backbone interact. energy: -4.062 local terms energy: -439.945520 where: bonds (distance) C4'-P energy: -134.316 bonds (distance) P-C4' energy: -134.078 flat angles C4'-P-C4' energy: -110.070 flat angles P-C4'-P energy: -63.643 tors. eta vs tors. theta energy: 2.162 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: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2935.575367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.575367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.575367 (E_RNA) where: Base-Base interactions energy: -2019.821 where: short stacking energy: -874.950 Base-Backbone interact. energy: -0.819 local terms energy: -914.935392 where: bonds (distance) C4'-P energy: -162.265 bonds (distance) P-C4' energy: -174.042 flat angles C4'-P-C4' energy: -193.837 flat angles P-C4'-P energy: -125.345 tors. eta vs tors. theta energy: -259.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2850.700383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.700383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.700383 (E_RNA) where: Base-Base interactions energy: -1964.760 where: short stacking energy: -818.823 Base-Backbone interact. energy: 0.316 local terms energy: -886.256596 where: bonds (distance) C4'-P energy: -156.791 bonds (distance) P-C4' energy: -158.494 flat angles C4'-P-C4' energy: -191.307 flat angles P-C4'-P energy: -127.657 tors. eta vs tors. theta energy: -252.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2705.637728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.637728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.637728 (E_RNA) where: Base-Base interactions energy: -1855.847 where: short stacking energy: -784.377 Base-Backbone interact. energy: -3.371 local terms energy: -846.419889 where: bonds (distance) C4'-P energy: -147.009 bonds (distance) P-C4' energy: -158.778 flat angles C4'-P-C4' energy: -187.082 flat angles P-C4'-P energy: -127.835 tors. eta vs tors. theta energy: -225.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2552.050516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.050516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.050516 (E_RNA) where: Base-Base interactions energy: -1766.279 where: short stacking energy: -750.631 Base-Backbone interact. energy: -2.296 local terms energy: -783.475546 where: bonds (distance) C4'-P energy: -135.136 bonds (distance) P-C4' energy: -149.108 flat angles C4'-P-C4' energy: -176.189 flat angles P-C4'-P energy: -110.852 tors. eta vs tors. theta energy: -212.190 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: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2508.795855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.795855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.795855 (E_RNA) where: Base-Base interactions energy: -1690.137 where: short stacking energy: -704.958 Base-Backbone interact. energy: -4.140 local terms energy: -814.518884 where: bonds (distance) C4'-P energy: -140.590 bonds (distance) P-C4' energy: -168.808 flat angles C4'-P-C4' energy: -186.795 flat angles P-C4'-P energy: -112.600 tors. eta vs tors. theta energy: -205.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2265.647450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.647450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.647450 (E_RNA) where: Base-Base interactions energy: -1552.834 where: short stacking energy: -665.147 Base-Backbone interact. energy: -2.618 local terms energy: -710.195433 where: bonds (distance) C4'-P energy: -133.049 bonds (distance) P-C4' energy: -122.846 flat angles C4'-P-C4' energy: -168.911 flat angles P-C4'-P energy: -88.842 tors. eta vs tors. theta energy: -196.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1860.042457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.042457 (E_RNA) where: Base-Base interactions energy: -1262.492 where: short stacking energy: -549.969 Base-Backbone interact. energy: 1.607 local terms energy: -599.157646 where: bonds (distance) C4'-P energy: -126.878 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -142.291 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -116.664 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: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1104.679345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.679345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.679345 (E_RNA) where: Base-Base interactions energy: -581.723 where: short stacking energy: -312.640 Base-Backbone interact. energy: 2.114 local terms energy: -525.070754 where: bonds (distance) C4'-P energy: -146.098 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -121.606 flat angles P-C4'-P energy: -91.523 tors. eta vs tors. theta energy: -21.226 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: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -963.486145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.486145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.486145 (E_RNA) where: Base-Base interactions energy: -493.098 where: short stacking energy: -265.358 Base-Backbone interact. energy: 4.873 local terms energy: -475.261455 where: bonds (distance) C4'-P energy: -144.155 bonds (distance) P-C4' energy: -139.125 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -75.187 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: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -846.008289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.008289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.008289 (E_RNA) where: Base-Base interactions energy: -398.597 where: short stacking energy: -229.022 Base-Backbone interact. energy: 3.007 local terms energy: -450.418313 where: bonds (distance) C4'-P energy: -131.096 bonds (distance) P-C4' energy: -132.646 flat angles C4'-P-C4' energy: -116.979 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: 1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2927.878067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.878067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.878067 (E_RNA) where: Base-Base interactions energy: -2022.740 where: short stacking energy: -863.484 Base-Backbone interact. energy: -5.495 local terms energy: -899.643307 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -167.257 flat angles C4'-P-C4' energy: -191.073 flat angles P-C4'-P energy: -120.089 tors. eta vs tors. theta energy: -256.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2848.826074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.826074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.826074 (E_RNA) where: Base-Base interactions energy: -1996.440 where: short stacking energy: -826.457 Base-Backbone interact. energy: 1.902 local terms energy: -854.288463 where: bonds (distance) C4'-P energy: -147.640 bonds (distance) P-C4' energy: -156.640 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -123.343 tors. eta vs tors. theta energy: -246.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2774.239596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.239596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.239596 (E_RNA) where: Base-Base interactions energy: -1912.683 where: short stacking energy: -791.369 Base-Backbone interact. energy: -4.327 local terms energy: -857.229666 where: bonds (distance) C4'-P energy: -153.394 bonds (distance) P-C4' energy: -165.768 flat angles C4'-P-C4' energy: -183.726 flat angles P-C4'-P energy: -115.739 tors. eta vs tors. theta energy: -238.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2560.282061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.282061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.282061 (E_RNA) where: Base-Base interactions energy: -1750.900 where: short stacking energy: -720.000 Base-Backbone interact. energy: -1.855 local terms energy: -807.526325 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -162.084 flat angles C4'-P-C4' energy: -170.962 flat angles P-C4'-P energy: -117.106 tors. eta vs tors. theta energy: -211.544 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: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2485.264646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.264646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.264646 (E_RNA) where: Base-Base interactions energy: -1709.157 where: short stacking energy: -717.965 Base-Backbone interact. energy: -5.757 local terms energy: -770.350522 where: bonds (distance) C4'-P energy: -135.061 bonds (distance) P-C4' energy: -157.823 flat angles C4'-P-C4' energy: -167.961 flat angles P-C4'-P energy: -93.055 tors. eta vs tors. theta energy: -216.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2240.218174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.218174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.218174 (E_RNA) where: Base-Base interactions energy: -1538.890 where: short stacking energy: -624.631 Base-Backbone interact. energy: -0.942 local terms energy: -700.386073 where: bonds (distance) C4'-P energy: -134.463 bonds (distance) P-C4' energy: -141.916 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -105.192 tors. eta vs tors. theta energy: -167.363 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1966.193894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.193894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.193894 (E_RNA) where: Base-Base interactions energy: -1313.559 where: short stacking energy: -562.752 Base-Backbone interact. energy: -0.574 local terms energy: -652.060455 where: bonds (distance) C4'-P energy: -159.921 bonds (distance) P-C4' energy: -138.150 flat angles C4'-P-C4' energy: -127.470 flat angles P-C4'-P energy: -90.889 tors. eta vs tors. theta energy: -135.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1095.053890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.053890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.053890 (E_RNA) where: Base-Base interactions energy: -604.976 where: short stacking energy: -322.393 Base-Backbone interact. energy: 1.406 local terms energy: -491.483815 where: bonds (distance) C4'-P energy: -137.146 bonds (distance) P-C4' energy: -143.721 flat angles C4'-P-C4' energy: -118.252 flat angles P-C4'-P energy: -61.092 tors. eta vs tors. theta energy: -31.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -932.342261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.342261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.342261 (E_RNA) where: Base-Base interactions energy: -486.134 where: short stacking energy: -270.308 Base-Backbone interact. energy: 2.050 local terms energy: -448.258299 where: bonds (distance) C4'-P energy: -135.390 bonds (distance) P-C4' energy: -117.732 flat angles C4'-P-C4' energy: -115.770 flat angles P-C4'-P energy: -68.863 tors. eta vs tors. theta energy: -10.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -834.929665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.929665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.929665 (E_RNA) where: Base-Base interactions energy: -402.584 where: short stacking energy: -241.930 Base-Backbone interact. energy: -0.173 local terms energy: -432.172589 where: bonds (distance) C4'-P energy: -143.875 bonds (distance) P-C4' energy: -140.826 flat angles C4'-P-C4' energy: -110.918 flat angles P-C4'-P energy: -50.325 tors. eta vs tors. theta energy: 13.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2963.130004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.130004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.130004 (E_RNA) where: Base-Base interactions energy: -2015.107 where: short stacking energy: -866.665 Base-Backbone interact. energy: -3.690 local terms energy: -944.332125 where: bonds (distance) C4'-P energy: -177.728 bonds (distance) P-C4' energy: -166.323 flat angles C4'-P-C4' energy: -193.308 flat angles P-C4'-P energy: -138.640 tors. eta vs tors. theta energy: -268.333 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: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2826.997981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.997981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.997981 (E_RNA) where: Base-Base interactions energy: -1942.176 where: short stacking energy: -826.389 Base-Backbone interact. energy: -2.785 local terms energy: -882.036391 where: bonds (distance) C4'-P energy: -163.679 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -189.393 flat angles P-C4'-P energy: -128.043 tors. eta vs tors. theta energy: -247.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2753.843946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.843946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.843946 (E_RNA) where: Base-Base interactions energy: -1898.422 where: short stacking energy: -802.513 Base-Backbone interact. energy: -1.107 local terms energy: -854.315301 where: bonds (distance) C4'-P energy: -143.798 bonds (distance) P-C4' energy: -159.805 flat angles C4'-P-C4' energy: -176.951 flat angles P-C4'-P energy: -137.975 tors. eta vs tors. theta energy: -235.786 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: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2629.575452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.575452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.575452 (E_RNA) where: Base-Base interactions energy: -1817.454 where: short stacking energy: -732.349 Base-Backbone interact. energy: 0.395 local terms energy: -812.516730 where: bonds (distance) C4'-P energy: -153.622 bonds (distance) P-C4' energy: -151.310 flat angles C4'-P-C4' energy: -179.655 flat angles P-C4'-P energy: -114.447 tors. eta vs tors. theta energy: -213.482 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: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2501.335671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.335671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.335671 (E_RNA) where: Base-Base interactions energy: -1737.430 where: short stacking energy: -726.209 Base-Backbone interact. energy: -3.857 local terms energy: -760.048987 where: bonds (distance) C4'-P energy: -145.600 bonds (distance) P-C4' energy: -139.871 flat angles C4'-P-C4' energy: -177.821 flat angles P-C4'-P energy: -100.605 tors. eta vs tors. theta energy: -196.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2228.655322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.655322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.655322 (E_RNA) where: Base-Base interactions energy: -1482.675 where: short stacking energy: -616.196 Base-Backbone interact. energy: -2.765 local terms energy: -743.215538 where: bonds (distance) C4'-P energy: -164.212 bonds (distance) P-C4' energy: -151.339 flat angles C4'-P-C4' energy: -162.268 flat angles P-C4'-P energy: -88.082 tors. eta vs tors. theta energy: -177.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1903.838715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.838715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.838715 (E_RNA) where: Base-Base interactions energy: -1307.366 where: short stacking energy: -561.413 Base-Backbone interact. energy: -1.406 local terms energy: -595.065937 where: bonds (distance) C4'-P energy: -123.943 bonds (distance) P-C4' energy: -136.782 flat angles C4'-P-C4' energy: -141.388 flat angles P-C4'-P energy: -72.815 tors. eta vs tors. theta energy: -120.137 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: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1049.485944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.485944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.485944 (E_RNA) where: Base-Base interactions energy: -534.546 where: short stacking energy: -294.010 Base-Backbone interact. energy: -4.891 local terms energy: -510.048270 where: bonds (distance) C4'-P energy: -126.413 bonds (distance) P-C4' energy: -165.877 flat angles C4'-P-C4' energy: -121.178 flat angles P-C4'-P energy: -68.916 tors. eta vs tors. theta energy: -27.664 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: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1000.789934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.789934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.789934 (E_RNA) where: Base-Base interactions energy: -499.137 where: short stacking energy: -278.416 Base-Backbone interact. energy: 3.623 local terms energy: -505.276232 where: bonds (distance) C4'-P energy: -123.241 bonds (distance) P-C4' energy: -146.327 flat angles C4'-P-C4' energy: -139.355 flat angles P-C4'-P energy: -76.244 tors. eta vs tors. theta energy: -20.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -831.273112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.273112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.273112 (E_RNA) where: Base-Base interactions energy: -378.323 where: short stacking energy: -212.465 Base-Backbone interact. energy: 0.659 local terms energy: -453.608317 where: bonds (distance) C4'-P energy: -124.202 bonds (distance) P-C4' energy: -136.071 flat angles C4'-P-C4' energy: -128.274 flat angles P-C4'-P energy: -76.985 tors. eta vs tors. theta energy: 11.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2955.055084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.055084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.055084 (E_RNA) where: Base-Base interactions energy: -2046.157 where: short stacking energy: -847.655 Base-Backbone interact. energy: -3.671 local terms energy: -905.227243 where: bonds (distance) C4'-P energy: -157.966 bonds (distance) P-C4' energy: -151.242 flat angles C4'-P-C4' energy: -198.558 flat angles P-C4'-P energy: -131.890 tors. eta vs tors. theta energy: -265.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2826.169458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.169458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.169458 (E_RNA) where: Base-Base interactions energy: -1956.836 where: short stacking energy: -823.026 Base-Backbone interact. energy: 0.170 local terms energy: -869.502722 where: bonds (distance) C4'-P energy: -158.580 bonds (distance) P-C4' energy: -155.947 flat angles C4'-P-C4' energy: -175.127 flat angles P-C4'-P energy: -128.315 tors. eta vs tors. theta energy: -251.535 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: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2736.372093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.372093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.372093 (E_RNA) where: Base-Base interactions energy: -1918.145 where: short stacking energy: -765.193 Base-Backbone interact. energy: -2.768 local terms energy: -815.458965 where: bonds (distance) C4'-P energy: -144.358 bonds (distance) P-C4' energy: -150.108 flat angles C4'-P-C4' energy: -176.799 flat angles P-C4'-P energy: -120.351 tors. eta vs tors. theta energy: -223.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2602.757371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.757371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.757371 (E_RNA) where: Base-Base interactions energy: -1805.409 where: short stacking energy: -731.829 Base-Backbone interact. energy: -1.912 local terms energy: -795.435941 where: bonds (distance) C4'-P energy: -148.192 bonds (distance) P-C4' energy: -168.350 flat angles C4'-P-C4' energy: -165.442 flat angles P-C4'-P energy: -110.545 tors. eta vs tors. theta energy: -202.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2477.566037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.566037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.566037 (E_RNA) where: Base-Base interactions energy: -1698.426 where: short stacking energy: -724.215 Base-Backbone interact. energy: -0.937 local terms energy: -778.203107 where: bonds (distance) C4'-P energy: -151.112 bonds (distance) P-C4' energy: -167.936 flat angles C4'-P-C4' energy: -169.676 flat angles P-C4'-P energy: -86.084 tors. eta vs tors. theta energy: -203.394 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: 447 Temperature: 1.150000 Total energy: -2249.382312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.382312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.382312 (E_RNA) where: Base-Base interactions energy: -1522.915 where: short stacking energy: -668.403 Base-Backbone interact. energy: -4.562 local terms energy: -721.904570 where: bonds (distance) C4'-P energy: -137.105 bonds (distance) P-C4' energy: -155.227 flat angles C4'-P-C4' energy: -151.328 flat angles P-C4'-P energy: -94.397 tors. eta vs tors. theta energy: -183.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1966.458014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.458014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.458014 (E_RNA) where: Base-Base interactions energy: -1295.867 where: short stacking energy: -562.453 Base-Backbone interact. energy: -1.118 local terms energy: -669.472479 where: bonds (distance) C4'-P energy: -143.366 bonds (distance) P-C4' energy: -145.630 flat angles C4'-P-C4' energy: -150.459 flat angles P-C4'-P energy: -94.705 tors. eta vs tors. theta energy: -135.312 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: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1049.824522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.824522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.824522 (E_RNA) where: Base-Base interactions energy: -561.655 where: short stacking energy: -309.801 Base-Backbone interact. energy: -0.993 local terms energy: -487.176099 where: bonds (distance) C4'-P energy: -148.526 bonds (distance) P-C4' energy: -135.386 flat angles C4'-P-C4' energy: -127.217 flat angles P-C4'-P energy: -51.696 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: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -908.233500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.233500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.233500 (E_RNA) where: Base-Base interactions energy: -429.243 where: short stacking energy: -259.286 Base-Backbone interact. energy: 1.701 local terms energy: -480.691376 where: bonds (distance) C4'-P energy: -146.829 bonds (distance) P-C4' energy: -138.101 flat angles C4'-P-C4' energy: -116.286 flat angles P-C4'-P energy: -74.218 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -806.641324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.641324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.641324 (E_RNA) where: Base-Base interactions energy: -364.694 where: short stacking energy: -213.301 Base-Backbone interact. energy: -3.157 local terms energy: -438.789650 where: bonds (distance) C4'-P energy: -144.972 bonds (distance) P-C4' energy: -137.876 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: 13.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2966.325342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.325342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.325342 (E_RNA) where: Base-Base interactions energy: -2067.866 where: short stacking energy: -877.621 Base-Backbone interact. energy: 2.737 local terms energy: -901.197159 where: bonds (distance) C4'-P energy: -164.419 bonds (distance) P-C4' energy: -163.294 flat angles C4'-P-C4' energy: -183.425 flat angles P-C4'-P energy: -132.906 tors. eta vs tors. theta energy: -257.153 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: 448 Temperature: 0.950000 Total energy: -2828.023690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.023690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.023690 (E_RNA) where: Base-Base interactions energy: -1962.789 where: short stacking energy: -820.791 Base-Backbone interact. energy: -4.128 local terms energy: -861.106227 where: bonds (distance) C4'-P energy: -156.574 bonds (distance) P-C4' energy: -161.938 flat angles C4'-P-C4' energy: -181.693 flat angles P-C4'-P energy: -122.172 tors. eta vs tors. theta energy: -238.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2756.068518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.068518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.068518 (E_RNA) where: Base-Base interactions energy: -1916.013 where: short stacking energy: -785.983 Base-Backbone interact. energy: -5.933 local terms energy: -834.122658 where: bonds (distance) C4'-P energy: -153.136 bonds (distance) P-C4' energy: -150.651 flat angles C4'-P-C4' energy: -183.384 flat angles P-C4'-P energy: -119.832 tors. eta vs tors. theta energy: -227.120 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: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2602.999549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.999549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.999549 (E_RNA) where: Base-Base interactions energy: -1786.846 where: short stacking energy: -755.018 Base-Backbone interact. energy: -2.234 local terms energy: -813.919122 where: bonds (distance) C4'-P energy: -143.348 bonds (distance) P-C4' energy: -158.218 flat angles C4'-P-C4' energy: -178.940 flat angles P-C4'-P energy: -115.456 tors. eta vs tors. theta energy: -217.957 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: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2500.080886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.080886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.080886 (E_RNA) where: Base-Base interactions energy: -1714.395 where: short stacking energy: -727.095 Base-Backbone interact. energy: -3.089 local terms energy: -782.597670 where: bonds (distance) C4'-P energy: -150.244 bonds (distance) P-C4' energy: -140.460 flat angles C4'-P-C4' energy: -178.876 flat angles P-C4'-P energy: -102.913 tors. eta vs tors. theta energy: -210.104 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: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2280.423460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.423460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.423460 (E_RNA) where: Base-Base interactions energy: -1543.014 where: short stacking energy: -660.012 Base-Backbone interact. energy: -4.332 local terms energy: -733.077362 where: bonds (distance) C4'-P energy: -142.976 bonds (distance) P-C4' energy: -136.815 flat angles C4'-P-C4' energy: -168.818 flat angles P-C4'-P energy: -102.351 tors. eta vs tors. theta energy: -182.117 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1942.437749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.437749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.437749 (E_RNA) where: Base-Base interactions energy: -1255.265 where: short stacking energy: -530.624 Base-Backbone interact. energy: -2.635 local terms energy: -684.538176 where: bonds (distance) C4'-P energy: -154.033 bonds (distance) P-C4' energy: -154.211 flat angles C4'-P-C4' energy: -160.343 flat angles P-C4'-P energy: -103.001 tors. eta vs tors. theta energy: -112.951 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: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1045.266768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.266768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.266768 (E_RNA) where: Base-Base interactions energy: -528.731 where: short stacking energy: -295.417 Base-Backbone interact. energy: -1.745 local terms energy: -514.790467 where: bonds (distance) C4'-P energy: -141.782 bonds (distance) P-C4' energy: -145.899 flat angles C4'-P-C4' energy: -122.510 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: -29.380 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: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -843.805505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.805505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.805505 (E_RNA) where: Base-Base interactions energy: -374.515 where: short stacking energy: -250.368 Base-Backbone interact. energy: -2.390 local terms energy: -466.901017 where: bonds (distance) C4'-P energy: -136.943 bonds (distance) P-C4' energy: -138.012 flat angles C4'-P-C4' energy: -119.734 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -12.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -865.457551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.457551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.457551 (E_RNA) where: Base-Base interactions energy: -441.620 where: short stacking energy: -218.355 Base-Backbone interact. energy: -2.417 local terms energy: -421.420693 where: bonds (distance) C4'-P energy: -135.730 bonds (distance) P-C4' energy: -124.719 flat angles C4'-P-C4' energy: -97.482 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: 15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2985.491899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.491899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.491899 (E_RNA) where: Base-Base interactions energy: -2082.214 where: short stacking energy: -884.921 Base-Backbone interact. energy: -1.866 local terms energy: -901.411449 where: bonds (distance) C4'-P energy: -160.048 bonds (distance) P-C4' energy: -157.872 flat angles C4'-P-C4' energy: -185.810 flat angles P-C4'-P energy: -135.720 tors. eta vs tors. theta energy: -261.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2796.135409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.135409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.135409 (E_RNA) where: Base-Base interactions energy: -1915.219 where: short stacking energy: -804.524 Base-Backbone interact. energy: -2.642 local terms energy: -878.274273 where: bonds (distance) C4'-P energy: -155.453 bonds (distance) P-C4' energy: -163.277 flat angles C4'-P-C4' energy: -184.845 flat angles P-C4'-P energy: -127.706 tors. eta vs tors. theta energy: -246.993 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: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2723.226423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.226423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.226423 (E_RNA) where: Base-Base interactions energy: -1907.270 where: short stacking energy: -807.011 Base-Backbone interact. energy: 5.178 local terms energy: -821.134555 where: bonds (distance) C4'-P energy: -156.770 bonds (distance) P-C4' energy: -148.533 flat angles C4'-P-C4' energy: -171.230 flat angles P-C4'-P energy: -111.673 tors. eta vs tors. theta energy: -232.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2590.325322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.325322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.325322 (E_RNA) where: Base-Base interactions energy: -1779.312 where: short stacking energy: -756.133 Base-Backbone interact. energy: 1.716 local terms energy: -812.728636 where: bonds (distance) C4'-P energy: -138.948 bonds (distance) P-C4' energy: -170.746 flat angles C4'-P-C4' energy: -174.302 flat angles P-C4'-P energy: -122.859 tors. eta vs tors. theta energy: -205.874 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: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2448.989996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.989996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.989996 (E_RNA) where: Base-Base interactions energy: -1672.056 where: short stacking energy: -667.968 Base-Backbone interact. energy: 1.051 local terms energy: -777.985415 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -147.048 flat angles C4'-P-C4' energy: -182.818 flat angles P-C4'-P energy: -97.851 tors. eta vs tors. theta energy: -208.249 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: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2294.445936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.445936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.445936 (E_RNA) where: Base-Base interactions energy: -1543.299 where: short stacking energy: -646.694 Base-Backbone interact. energy: -4.919 local terms energy: -746.227608 where: bonds (distance) C4'-P energy: -131.592 bonds (distance) P-C4' energy: -135.680 flat angles C4'-P-C4' energy: -176.378 flat angles P-C4'-P energy: -106.789 tors. eta vs tors. theta energy: -195.789 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: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2087.612719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.612719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.612719 (E_RNA) where: Base-Base interactions energy: -1379.098 where: short stacking energy: -612.269 Base-Backbone interact. energy: -1.494 local terms energy: -707.020977 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -150.593 flat angles C4'-P-C4' energy: -150.145 flat angles P-C4'-P energy: -92.066 tors. eta vs tors. theta energy: -177.591 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: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1164.783181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.783181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.783181 (E_RNA) where: Base-Base interactions energy: -663.373 where: short stacking energy: -363.555 Base-Backbone interact. energy: -1.240 local terms energy: -500.170850 where: bonds (distance) C4'-P energy: -135.321 bonds (distance) P-C4' energy: -153.992 flat angles C4'-P-C4' energy: -108.252 flat angles P-C4'-P energy: -57.742 tors. eta vs tors. theta energy: -44.863 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: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -867.851557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.851557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.851557 (E_RNA) where: Base-Base interactions energy: -400.640 where: short stacking energy: -256.223 Base-Backbone interact. energy: 1.275 local terms energy: -468.486760 where: bonds (distance) C4'-P energy: -125.147 bonds (distance) P-C4' energy: -142.614 flat angles C4'-P-C4' energy: -133.522 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: 3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -895.423368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.423368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.423368 (E_RNA) where: Base-Base interactions energy: -444.735 where: short stacking energy: -243.912 Base-Backbone interact. energy: 1.322 local terms energy: -452.009738 where: bonds (distance) C4'-P energy: -140.231 bonds (distance) P-C4' energy: -132.965 flat angles C4'-P-C4' energy: -130.260 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: 23.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2953.165130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.165130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.165130 (E_RNA) where: Base-Base interactions energy: -2033.231 where: short stacking energy: -853.197 Base-Backbone interact. energy: -3.033 local terms energy: -916.901390 where: bonds (distance) C4'-P energy: -156.647 bonds (distance) P-C4' energy: -162.791 flat angles C4'-P-C4' energy: -194.935 flat angles P-C4'-P energy: -145.170 tors. eta vs tors. theta energy: -257.358 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: 450 Temperature: 0.950000 Total energy: -2845.139378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.139378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.139378 (E_RNA) where: Base-Base interactions energy: -1989.573 where: short stacking energy: -824.713 Base-Backbone interact. energy: -5.196 local terms energy: -850.370508 where: bonds (distance) C4'-P energy: -140.639 bonds (distance) P-C4' energy: -161.713 flat angles C4'-P-C4' energy: -186.216 flat angles P-C4'-P energy: -121.868 tors. eta vs tors. theta energy: -239.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2753.767363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.767363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.767363 (E_RNA) where: Base-Base interactions energy: -1923.227 where: short stacking energy: -788.472 Base-Backbone interact. energy: -0.882 local terms energy: -829.657961 where: bonds (distance) C4'-P energy: -131.797 bonds (distance) P-C4' energy: -158.223 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -125.184 tors. eta vs tors. theta energy: -238.271 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: 450 Temperature: 1.050000 Total energy: -2572.045942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.045942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.045942 (E_RNA) where: Base-Base interactions energy: -1780.935 where: short stacking energy: -738.887 Base-Backbone interact. energy: -3.107 local terms energy: -788.003573 where: bonds (distance) C4'-P energy: -163.695 bonds (distance) P-C4' energy: -146.388 flat angles C4'-P-C4' energy: -166.433 flat angles P-C4'-P energy: -103.389 tors. eta vs tors. theta energy: -208.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2401.668053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.668053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.668053 (E_RNA) where: Base-Base interactions energy: -1662.739 where: short stacking energy: -700.258 Base-Backbone interact. energy: -3.636 local terms energy: -735.292885 where: bonds (distance) C4'-P energy: -138.809 bonds (distance) P-C4' energy: -130.537 flat angles C4'-P-C4' energy: -149.549 flat angles P-C4'-P energy: -107.819 tors. eta vs tors. theta energy: -208.579 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: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2274.847092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.847092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.847092 (E_RNA) where: Base-Base interactions energy: -1523.497 where: short stacking energy: -650.605 Base-Backbone interact. energy: -0.477 local terms energy: -750.873192 where: bonds (distance) C4'-P energy: -130.967 bonds (distance) P-C4' energy: -150.012 flat angles C4'-P-C4' energy: -172.959 flat angles P-C4'-P energy: -109.765 tors. eta vs tors. theta energy: -187.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1984.214172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.214172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.214172 (E_RNA) where: Base-Base interactions energy: -1313.496 where: short stacking energy: -551.818 Base-Backbone interact. energy: 11.692 local terms energy: -682.410353 where: bonds (distance) C4'-P energy: -137.972 bonds (distance) P-C4' energy: -157.490 flat angles C4'-P-C4' energy: -162.438 flat angles P-C4'-P energy: -104.037 tors. eta vs tors. theta energy: -120.474 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: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1059.560817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.560817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.560817 (E_RNA) where: Base-Base interactions energy: -578.683 where: short stacking energy: -315.358 Base-Backbone interact. energy: 7.309 local terms energy: -488.186527 where: bonds (distance) C4'-P energy: -130.295 bonds (distance) P-C4' energy: -136.767 flat angles C4'-P-C4' energy: -139.508 flat angles P-C4'-P energy: -69.562 tors. eta vs tors. theta energy: -12.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -897.237264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.237264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.237264 (E_RNA) where: Base-Base interactions energy: -448.048 where: short stacking energy: -254.855 Base-Backbone interact. energy: -1.369 local terms energy: -447.819718 where: bonds (distance) C4'-P energy: -127.310 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -130.565 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: 4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -864.235510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.235510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.235510 (E_RNA) where: Base-Base interactions energy: -418.085 where: short stacking energy: -230.650 Base-Backbone interact. energy: 4.563 local terms energy: -450.714144 where: bonds (distance) C4'-P energy: -128.141 bonds (distance) P-C4' energy: -130.166 flat angles C4'-P-C4' energy: -140.532 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: 5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2982.545656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.545656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.545656 (E_RNA) where: Base-Base interactions energy: -2082.617 where: short stacking energy: -873.055 Base-Backbone interact. energy: -6.944 local terms energy: -892.984280 where: bonds (distance) C4'-P energy: -155.623 bonds (distance) P-C4' energy: -165.968 flat angles C4'-P-C4' energy: -190.988 flat angles P-C4'-P energy: -112.735 tors. eta vs tors. theta energy: -267.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2822.494739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.494739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.494739 (E_RNA) where: Base-Base interactions energy: -1932.188 where: short stacking energy: -796.567 Base-Backbone interact. energy: -1.506 local terms energy: -888.801399 where: bonds (distance) C4'-P energy: -164.229 bonds (distance) P-C4' energy: -178.842 flat angles C4'-P-C4' energy: -183.054 flat angles P-C4'-P energy: -126.742 tors. eta vs tors. theta energy: -235.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2752.705100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.705100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.705100 (E_RNA) where: Base-Base interactions energy: -1910.524 where: short stacking energy: -767.060 Base-Backbone interact. energy: -3.308 local terms energy: -838.872195 where: bonds (distance) C4'-P energy: -167.399 bonds (distance) P-C4' energy: -151.294 flat angles C4'-P-C4' energy: -166.762 flat angles P-C4'-P energy: -117.975 tors. eta vs tors. theta energy: -235.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2538.585807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.585807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.585807 (E_RNA) where: Base-Base interactions energy: -1771.902 where: short stacking energy: -729.875 Base-Backbone interact. energy: -4.263 local terms energy: -762.420275 where: bonds (distance) C4'-P energy: -139.944 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -155.613 flat angles P-C4'-P energy: -111.469 tors. eta vs tors. theta energy: -209.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2456.068042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.068042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.068042 (E_RNA) where: Base-Base interactions energy: -1672.216 where: short stacking energy: -691.474 Base-Backbone interact. energy: 0.832 local terms energy: -784.684369 where: bonds (distance) C4'-P energy: -131.334 bonds (distance) P-C4' energy: -164.175 flat angles C4'-P-C4' energy: -172.842 flat angles P-C4'-P energy: -120.615 tors. eta vs tors. theta energy: -195.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2252.717083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.717083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.717083 (E_RNA) where: Base-Base interactions energy: -1550.485 where: short stacking energy: -672.115 Base-Backbone interact. energy: -4.930 local terms energy: -697.302574 where: bonds (distance) C4'-P energy: -128.796 bonds (distance) P-C4' energy: -129.890 flat angles C4'-P-C4' energy: -158.548 flat angles P-C4'-P energy: -99.301 tors. eta vs tors. theta energy: -180.767 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: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1997.992891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.992891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.992891 (E_RNA) where: Base-Base interactions energy: -1358.217 where: short stacking energy: -574.301 Base-Backbone interact. energy: -2.712 local terms energy: -637.063838 where: bonds (distance) C4'-P energy: -125.759 bonds (distance) P-C4' energy: -127.604 flat angles C4'-P-C4' energy: -146.369 flat angles P-C4'-P energy: -97.200 tors. eta vs tors. theta energy: -140.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1035.461708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.461708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.461708 (E_RNA) where: Base-Base interactions energy: -523.486 where: short stacking energy: -283.974 Base-Backbone interact. energy: 1.065 local terms energy: -513.041077 where: bonds (distance) C4'-P energy: -122.835 bonds (distance) P-C4' energy: -163.167 flat angles C4'-P-C4' energy: -143.919 flat angles P-C4'-P energy: -74.045 tors. eta vs tors. theta energy: -9.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -937.394555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.394555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.394555 (E_RNA) where: Base-Base interactions energy: -472.499 where: short stacking energy: -233.693 Base-Backbone interact. energy: 2.585 local terms energy: -467.480570 where: bonds (distance) C4'-P energy: -134.916 bonds (distance) P-C4' energy: -134.344 flat angles C4'-P-C4' energy: -125.825 flat angles P-C4'-P energy: -77.271 tors. eta vs tors. theta energy: 4.876 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: 451 Temperature: 1.350000 Total energy: -801.604712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.604712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.604712 (E_RNA) where: Base-Base interactions energy: -364.664 where: short stacking energy: -229.175 Base-Backbone interact. energy: 0.582 local terms energy: -437.522754 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -133.081 flat angles P-C4'-P energy: -89.034 tors. eta vs tors. theta energy: 21.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2971.659811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.659811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.659811 (E_RNA) where: Base-Base interactions energy: -2064.844 where: short stacking energy: -877.900 Base-Backbone interact. energy: -6.430 local terms energy: -900.385805 where: bonds (distance) C4'-P energy: -154.147 bonds (distance) P-C4' energy: -176.131 flat angles C4'-P-C4' energy: -183.774 flat angles P-C4'-P energy: -128.368 tors. eta vs tors. theta energy: -257.966 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: 452 Temperature: 0.950000 Total energy: -2839.937825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.937825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.937825 (E_RNA) where: Base-Base interactions energy: -1986.425 where: short stacking energy: -832.488 Base-Backbone interact. energy: -3.396 local terms energy: -850.116878 where: bonds (distance) C4'-P energy: -144.439 bonds (distance) P-C4' energy: -154.529 flat angles C4'-P-C4' energy: -177.241 flat angles P-C4'-P energy: -135.548 tors. eta vs tors. theta energy: -238.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2776.465880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.465880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.465880 (E_RNA) where: Base-Base interactions energy: -1911.091 where: short stacking energy: -795.558 Base-Backbone interact. energy: -5.219 local terms energy: -860.155343 where: bonds (distance) C4'-P energy: -135.766 bonds (distance) P-C4' energy: -162.252 flat angles C4'-P-C4' energy: -191.244 flat angles P-C4'-P energy: -129.289 tors. eta vs tors. theta energy: -241.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2605.336104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.336104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.336104 (E_RNA) where: Base-Base interactions energy: -1799.144 where: short stacking energy: -739.692 Base-Backbone interact. energy: -1.620 local terms energy: -804.571762 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -160.121 flat angles C4'-P-C4' energy: -179.224 flat angles P-C4'-P energy: -105.905 tors. eta vs tors. theta energy: -219.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2487.592653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.592653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.592653 (E_RNA) where: Base-Base interactions energy: -1674.334 where: short stacking energy: -706.344 Base-Backbone interact. energy: -3.677 local terms energy: -809.582094 where: bonds (distance) C4'-P energy: -167.111 bonds (distance) P-C4' energy: -153.439 flat angles C4'-P-C4' energy: -167.320 flat angles P-C4'-P energy: -110.436 tors. eta vs tors. theta energy: -211.276 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: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2193.296420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.296420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.296420 (E_RNA) where: Base-Base interactions energy: -1475.497 where: short stacking energy: -625.877 Base-Backbone interact. energy: -1.917 local terms energy: -715.882738 where: bonds (distance) C4'-P energy: -138.296 bonds (distance) P-C4' energy: -140.114 flat angles C4'-P-C4' energy: -161.753 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -172.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1966.743879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.743879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.743879 (E_RNA) where: Base-Base interactions energy: -1318.675 where: short stacking energy: -566.549 Base-Backbone interact. energy: -2.527 local terms energy: -645.541822 where: bonds (distance) C4'-P energy: -133.900 bonds (distance) P-C4' energy: -149.170 flat angles C4'-P-C4' energy: -129.471 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: -143.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1060.241476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.241476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.241476 (E_RNA) where: Base-Base interactions energy: -544.441 where: short stacking energy: -310.710 Base-Backbone interact. energy: 6.593 local terms energy: -522.393385 where: bonds (distance) C4'-P energy: -152.405 bonds (distance) P-C4' energy: -141.252 flat angles C4'-P-C4' energy: -114.735 flat angles P-C4'-P energy: -88.173 tors. eta vs tors. theta energy: -25.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -866.981083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.981083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.981083 (E_RNA) where: Base-Base interactions energy: -409.917 where: short stacking energy: -277.514 Base-Backbone interact. energy: -0.070 local terms energy: -456.994130 where: bonds (distance) C4'-P energy: -123.728 bonds (distance) P-C4' energy: -130.832 flat angles C4'-P-C4' energy: -118.746 flat angles P-C4'-P energy: -66.215 tors. eta vs tors. theta energy: -17.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -785.091404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.091404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.091404 (E_RNA) where: Base-Base interactions energy: -335.653 where: short stacking energy: -223.902 Base-Backbone interact. energy: 4.316 local terms energy: -453.754853 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -153.676 flat angles C4'-P-C4' energy: -117.694 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2973.772277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.772277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.772277 (E_RNA) where: Base-Base interactions energy: -2051.592 where: short stacking energy: -872.742 Base-Backbone interact. energy: -3.191 local terms energy: -918.989681 where: bonds (distance) C4'-P energy: -168.142 bonds (distance) P-C4' energy: -167.886 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -137.580 tors. eta vs tors. theta energy: -256.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2855.340671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.340671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.340671 (E_RNA) where: Base-Base interactions energy: -1991.635 where: short stacking energy: -842.648 Base-Backbone interact. energy: 2.788 local terms energy: -866.493342 where: bonds (distance) C4'-P energy: -159.355 bonds (distance) P-C4' energy: -153.305 flat angles C4'-P-C4' energy: -186.191 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -257.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2775.465400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.465400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.465400 (E_RNA) where: Base-Base interactions energy: -1961.960 where: short stacking energy: -802.869 Base-Backbone interact. energy: 7.134 local terms energy: -820.639640 where: bonds (distance) C4'-P energy: -143.585 bonds (distance) P-C4' energy: -140.945 flat angles C4'-P-C4' energy: -177.716 flat angles P-C4'-P energy: -122.791 tors. eta vs tors. theta energy: -235.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2631.228875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.228875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.228875 (E_RNA) where: Base-Base interactions energy: -1820.596 where: short stacking energy: -751.556 Base-Backbone interact. energy: -1.567 local terms energy: -809.066120 where: bonds (distance) C4'-P energy: -127.581 bonds (distance) P-C4' energy: -162.405 flat angles C4'-P-C4' energy: -181.951 flat angles P-C4'-P energy: -119.514 tors. eta vs tors. theta energy: -217.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2442.413655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.413655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.413655 (E_RNA) where: Base-Base interactions energy: -1662.675 where: short stacking energy: -710.244 Base-Backbone interact. energy: -3.131 local terms energy: -776.607838 where: bonds (distance) C4'-P energy: -159.899 bonds (distance) P-C4' energy: -147.246 flat angles C4'-P-C4' energy: -167.336 flat angles P-C4'-P energy: -116.536 tors. eta vs tors. theta energy: -185.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2235.999879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.999879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.999879 (E_RNA) where: Base-Base interactions energy: -1506.869 where: short stacking energy: -649.573 Base-Backbone interact. energy: -2.413 local terms energy: -726.717609 where: bonds (distance) C4'-P energy: -138.646 bonds (distance) P-C4' energy: -138.995 flat angles C4'-P-C4' energy: -163.214 flat angles P-C4'-P energy: -99.938 tors. eta vs tors. theta energy: -185.924 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: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1979.365099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.365099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.365099 (E_RNA) where: Base-Base interactions energy: -1310.857 where: short stacking energy: -563.466 Base-Backbone interact. energy: -1.831 local terms energy: -666.677295 where: bonds (distance) C4'-P energy: -139.951 bonds (distance) P-C4' energy: -149.720 flat angles C4'-P-C4' energy: -152.322 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -136.419 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: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1072.377919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.377919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.377919 (E_RNA) where: Base-Base interactions energy: -589.731 where: short stacking energy: -310.886 Base-Backbone interact. energy: 2.604 local terms energy: -485.250361 where: bonds (distance) C4'-P energy: -136.306 bonds (distance) P-C4' energy: -134.567 flat angles C4'-P-C4' energy: -110.811 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -40.792 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: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -802.374071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.374071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.374071 (E_RNA) where: Base-Base interactions energy: -357.469 where: short stacking energy: -226.524 Base-Backbone interact. energy: -2.482 local terms energy: -442.422385 where: bonds (distance) C4'-P energy: -148.812 bonds (distance) P-C4' energy: -121.755 flat angles C4'-P-C4' energy: -108.465 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -782.521162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.521162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.521162 (E_RNA) where: Base-Base interactions energy: -357.723 where: short stacking energy: -216.418 Base-Backbone interact. energy: 2.857 local terms energy: -427.655032 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -132.948 flat angles C4'-P-C4' energy: -126.753 flat angles P-C4'-P energy: -68.670 tors. eta vs tors. theta energy: 16.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2957.815722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.815722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.815722 (E_RNA) where: Base-Base interactions energy: -2072.533 where: short stacking energy: -902.306 Base-Backbone interact. energy: -2.385 local terms energy: -882.898183 where: bonds (distance) C4'-P energy: -148.948 bonds (distance) P-C4' energy: -179.849 flat angles C4'-P-C4' energy: -189.275 flat angles P-C4'-P energy: -103.453 tors. eta vs tors. theta energy: -261.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2888.181233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.181233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.181233 (E_RNA) where: Base-Base interactions energy: -2003.514 where: short stacking energy: -828.732 Base-Backbone interact. energy: 0.959 local terms energy: -885.625994 where: bonds (distance) C4'-P energy: -147.738 bonds (distance) P-C4' energy: -167.585 flat angles C4'-P-C4' energy: -184.545 flat angles P-C4'-P energy: -124.175 tors. eta vs tors. theta energy: -261.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2766.054265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.054265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.054265 (E_RNA) where: Base-Base interactions energy: -1934.569 where: short stacking energy: -799.783 Base-Backbone interact. energy: -3.110 local terms energy: -828.375788 where: bonds (distance) C4'-P energy: -150.118 bonds (distance) P-C4' energy: -156.128 flat angles C4'-P-C4' energy: -176.833 flat angles P-C4'-P energy: -112.731 tors. eta vs tors. theta energy: -232.566 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: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2575.972311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.972311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.972311 (E_RNA) where: Base-Base interactions energy: -1776.450 where: short stacking energy: -732.985 Base-Backbone interact. energy: -3.960 local terms energy: -795.562761 where: bonds (distance) C4'-P energy: -155.018 bonds (distance) P-C4' energy: -158.139 flat angles C4'-P-C4' energy: -166.887 flat angles P-C4'-P energy: -101.404 tors. eta vs tors. theta energy: -214.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2443.966759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.966759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.966759 (E_RNA) where: Base-Base interactions energy: -1674.992 where: short stacking energy: -711.377 Base-Backbone interact. energy: -4.455 local terms energy: -764.519812 where: bonds (distance) C4'-P energy: -144.736 bonds (distance) P-C4' energy: -153.356 flat angles C4'-P-C4' energy: -155.209 flat angles P-C4'-P energy: -114.250 tors. eta vs tors. theta energy: -196.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2250.075703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.075703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.075703 (E_RNA) where: Base-Base interactions energy: -1517.347 where: short stacking energy: -637.424 Base-Backbone interact. energy: -1.279 local terms energy: -731.449667 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -150.055 flat angles C4'-P-C4' energy: -161.520 flat angles P-C4'-P energy: -99.258 tors. eta vs tors. theta energy: -188.699 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: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2054.966478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.966478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.966478 (E_RNA) where: Base-Base interactions energy: -1362.416 where: short stacking energy: -586.049 Base-Backbone interact. energy: -4.739 local terms energy: -687.812160 where: bonds (distance) C4'-P energy: -141.097 bonds (distance) P-C4' energy: -138.187 flat angles C4'-P-C4' energy: -154.842 flat angles P-C4'-P energy: -98.210 tors. eta vs tors. theta energy: -155.477 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: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1072.700416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.700416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.700416 (E_RNA) where: Base-Base interactions energy: -593.944 where: short stacking energy: -310.501 Base-Backbone interact. energy: -0.345 local terms energy: -478.412158 where: bonds (distance) C4'-P energy: -129.368 bonds (distance) P-C4' energy: -133.435 flat angles C4'-P-C4' energy: -136.902 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: -17.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -779.636519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.636519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.636519 (E_RNA) where: Base-Base interactions energy: -334.493 where: short stacking energy: -233.812 Base-Backbone interact. energy: -2.513 local terms energy: -442.629986 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -144.918 flat angles C4'-P-C4' energy: -110.962 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: 15.009 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: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -697.521573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.521573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.521573 (E_RNA) where: Base-Base interactions energy: -290.027 where: short stacking energy: -178.921 Base-Backbone interact. energy: 5.948 local terms energy: -413.442598 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -150.047 flat angles C4'-P-C4' energy: -104.104 flat angles P-C4'-P energy: -62.903 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: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2931.877506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.877506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.877506 (E_RNA) where: Base-Base interactions energy: -2022.211 where: short stacking energy: -868.454 Base-Backbone interact. energy: 2.429 local terms energy: -912.095175 where: bonds (distance) C4'-P energy: -164.008 bonds (distance) P-C4' energy: -159.818 flat angles C4'-P-C4' energy: -194.474 flat angles P-C4'-P energy: -130.134 tors. eta vs tors. theta energy: -263.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2871.954022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.954022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.954022 (E_RNA) where: Base-Base interactions energy: -1988.779 where: short stacking energy: -840.855 Base-Backbone interact. energy: -4.292 local terms energy: -878.882727 where: bonds (distance) C4'-P energy: -150.584 bonds (distance) P-C4' energy: -158.269 flat angles C4'-P-C4' energy: -190.189 flat angles P-C4'-P energy: -119.444 tors. eta vs tors. theta energy: -260.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2721.810630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.810630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.810630 (E_RNA) where: Base-Base interactions energy: -1894.069 where: short stacking energy: -766.914 Base-Backbone interact. energy: -0.008 local terms energy: -827.733902 where: bonds (distance) C4'-P energy: -144.697 bonds (distance) P-C4' energy: -164.949 flat angles C4'-P-C4' energy: -181.210 flat angles P-C4'-P energy: -118.485 tors. eta vs tors. theta energy: -218.393 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: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2603.890187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.890187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.890187 (E_RNA) where: Base-Base interactions energy: -1799.586 where: short stacking energy: -697.763 Base-Backbone interact. energy: -0.753 local terms energy: -803.551041 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -158.046 flat angles C4'-P-C4' energy: -163.392 flat angles P-C4'-P energy: -111.363 tors. eta vs tors. theta energy: -219.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2419.009191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.009191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.009191 (E_RNA) where: Base-Base interactions energy: -1637.178 where: short stacking energy: -700.829 Base-Backbone interact. energy: -0.876 local terms energy: -780.954982 where: bonds (distance) C4'-P energy: -139.723 bonds (distance) P-C4' energy: -161.591 flat angles C4'-P-C4' energy: -161.342 flat angles P-C4'-P energy: -109.250 tors. eta vs tors. theta energy: -209.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2293.783844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.783844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.783844 (E_RNA) where: Base-Base interactions energy: -1587.318 where: short stacking energy: -671.521 Base-Backbone interact. energy: -2.073 local terms energy: -704.392864 where: bonds (distance) C4'-P energy: -119.559 bonds (distance) P-C4' energy: -134.185 flat angles C4'-P-C4' energy: -160.112 flat angles P-C4'-P energy: -93.408 tors. eta vs tors. theta energy: -197.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2061.051617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.051617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.051617 (E_RNA) where: Base-Base interactions energy: -1374.018 where: short stacking energy: -599.163 Base-Backbone interact. energy: -2.215 local terms energy: -684.818464 where: bonds (distance) C4'-P energy: -131.490 bonds (distance) P-C4' energy: -140.653 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -104.080 tors. eta vs tors. theta energy: -162.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1053.211972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.211972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.211972 (E_RNA) where: Base-Base interactions energy: -539.725 where: short stacking energy: -278.036 Base-Backbone interact. energy: -0.977 local terms energy: -512.509537 where: bonds (distance) C4'-P energy: -132.807 bonds (distance) P-C4' energy: -148.444 flat angles C4'-P-C4' energy: -114.965 flat angles P-C4'-P energy: -99.680 tors. eta vs tors. theta energy: -16.615 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: 455 Temperature: 1.300000 Total energy: -797.076650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.076650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.076650 (E_RNA) where: Base-Base interactions energy: -351.659 where: short stacking energy: -206.202 Base-Backbone interact. energy: 12.704 local terms energy: -458.122443 where: bonds (distance) C4'-P energy: -122.119 bonds (distance) P-C4' energy: -149.321 flat angles C4'-P-C4' energy: -121.427 flat angles P-C4'-P energy: -86.246 tors. eta vs tors. theta energy: 20.990 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: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -715.007059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.007059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.007059 (E_RNA) where: Base-Base interactions energy: -296.627 where: short stacking energy: -197.302 Base-Backbone interact. energy: 2.743 local terms energy: -421.123469 where: bonds (distance) C4'-P energy: -122.935 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -71.950 tors. eta vs tors. theta energy: 18.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2932.959451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.959451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.959451 (E_RNA) where: Base-Base interactions energy: -2029.774 where: short stacking energy: -853.127 Base-Backbone interact. energy: -4.378 local terms energy: -898.808018 where: bonds (distance) C4'-P energy: -159.663 bonds (distance) P-C4' energy: -172.915 flat angles C4'-P-C4' energy: -197.197 flat angles P-C4'-P energy: -119.156 tors. eta vs tors. theta energy: -249.876 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: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2856.879677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.879677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.879677 (E_RNA) where: Base-Base interactions energy: -1956.249 where: short stacking energy: -842.472 Base-Backbone interact. energy: -3.333 local terms energy: -897.297191 where: bonds (distance) C4'-P energy: -164.774 bonds (distance) P-C4' energy: -158.073 flat angles C4'-P-C4' energy: -188.208 flat angles P-C4'-P energy: -123.846 tors. eta vs tors. theta energy: -262.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2735.836230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.836230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.836230 (E_RNA) where: Base-Base interactions energy: -1892.926 where: short stacking energy: -797.466 Base-Backbone interact. energy: 0.205 local terms energy: -843.115387 where: bonds (distance) C4'-P energy: -147.592 bonds (distance) P-C4' energy: -159.891 flat angles C4'-P-C4' energy: -170.217 flat angles P-C4'-P energy: -130.633 tors. eta vs tors. theta energy: -234.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2564.964275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.964275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.964275 (E_RNA) where: Base-Base interactions energy: -1771.590 where: short stacking energy: -737.700 Base-Backbone interact. energy: -2.158 local terms energy: -791.216326 where: bonds (distance) C4'-P energy: -149.947 bonds (distance) P-C4' energy: -159.316 flat angles C4'-P-C4' energy: -166.017 flat angles P-C4'-P energy: -116.664 tors. eta vs tors. theta energy: -199.272 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: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2447.093025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.093025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.093025 (E_RNA) where: Base-Base interactions energy: -1674.371 where: short stacking energy: -688.837 Base-Backbone interact. energy: -2.768 local terms energy: -769.954261 where: bonds (distance) C4'-P energy: -158.696 bonds (distance) P-C4' energy: -139.219 flat angles C4'-P-C4' energy: -165.784 flat angles P-C4'-P energy: -107.109 tors. eta vs tors. theta energy: -199.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2220.597588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.597588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.597588 (E_RNA) where: Base-Base interactions energy: -1505.447 where: short stacking energy: -633.850 Base-Backbone interact. energy: -1.891 local terms energy: -713.259353 where: bonds (distance) C4'-P energy: -118.141 bonds (distance) P-C4' energy: -136.019 flat angles C4'-P-C4' energy: -170.670 flat angles P-C4'-P energy: -110.286 tors. eta vs tors. theta energy: -178.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1983.082836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.082836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.082836 (E_RNA) where: Base-Base interactions energy: -1348.724 where: short stacking energy: -571.494 Base-Backbone interact. energy: -0.695 local terms energy: -633.663742 where: bonds (distance) C4'-P energy: -114.010 bonds (distance) P-C4' energy: -148.050 flat angles C4'-P-C4' energy: -154.713 flat angles P-C4'-P energy: -86.557 tors. eta vs tors. theta energy: -130.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1142.255082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.255082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.255082 (E_RNA) where: Base-Base interactions energy: -659.156 where: short stacking energy: -360.657 Base-Backbone interact. energy: -3.629 local terms energy: -479.469544 where: bonds (distance) C4'-P energy: -129.835 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -120.660 flat angles P-C4'-P energy: -62.443 tors. eta vs tors. theta energy: -40.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -822.937639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.937639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.937639 (E_RNA) where: Base-Base interactions energy: -373.086 where: short stacking energy: -240.714 Base-Backbone interact. energy: -4.143 local terms energy: -445.708518 where: bonds (distance) C4'-P energy: -141.679 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -106.649 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -20.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -695.875659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.875659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.875659 (E_RNA) where: Base-Base interactions energy: -259.123 where: short stacking energy: -188.085 Base-Backbone interact. energy: -2.513 local terms energy: -434.239748 where: bonds (distance) C4'-P energy: -114.059 bonds (distance) P-C4' energy: -152.717 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: 23.457 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: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2926.776487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.776487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.776487 (E_RNA) where: Base-Base interactions energy: -2029.768 where: short stacking energy: -861.288 Base-Backbone interact. energy: -4.314 local terms energy: -892.693736 where: bonds (distance) C4'-P energy: -158.222 bonds (distance) P-C4' energy: -157.152 flat angles C4'-P-C4' energy: -201.486 flat angles P-C4'-P energy: -123.990 tors. eta vs tors. theta energy: -251.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2797.594571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.594571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.594571 (E_RNA) where: Base-Base interactions energy: -1919.008 where: short stacking energy: -808.742 Base-Backbone interact. energy: -0.670 local terms energy: -877.917250 where: bonds (distance) C4'-P energy: -156.642 bonds (distance) P-C4' energy: -161.431 flat angles C4'-P-C4' energy: -189.207 flat angles P-C4'-P energy: -126.483 tors. eta vs tors. theta energy: -244.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2755.651399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.651399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.651399 (E_RNA) where: Base-Base interactions energy: -1933.599 where: short stacking energy: -809.954 Base-Backbone interact. energy: -0.010 local terms energy: -822.042193 where: bonds (distance) C4'-P energy: -157.922 bonds (distance) P-C4' energy: -134.487 flat angles C4'-P-C4' energy: -176.372 flat angles P-C4'-P energy: -118.240 tors. eta vs tors. theta energy: -235.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2590.679236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.679236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.679236 (E_RNA) where: Base-Base interactions energy: -1813.517 where: short stacking energy: -728.835 Base-Backbone interact. energy: -3.588 local terms energy: -773.573783 where: bonds (distance) C4'-P energy: -146.995 bonds (distance) P-C4' energy: -139.886 flat angles C4'-P-C4' energy: -180.437 flat angles P-C4'-P energy: -112.095 tors. eta vs tors. theta energy: -194.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2454.013489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.013489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.013489 (E_RNA) where: Base-Base interactions energy: -1657.882 where: short stacking energy: -728.713 Base-Backbone interact. energy: 0.095 local terms energy: -796.226408 where: bonds (distance) C4'-P energy: -146.652 bonds (distance) P-C4' energy: -147.982 flat angles C4'-P-C4' energy: -175.901 flat angles P-C4'-P energy: -114.379 tors. eta vs tors. theta energy: -211.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2235.567325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.567325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.567325 (E_RNA) where: Base-Base interactions energy: -1506.342 where: short stacking energy: -631.403 Base-Backbone interact. energy: -0.602 local terms energy: -728.624091 where: bonds (distance) C4'-P energy: -130.199 bonds (distance) P-C4' energy: -171.912 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -88.463 tors. eta vs tors. theta energy: -184.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2029.444888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.444888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.444888 (E_RNA) where: Base-Base interactions energy: -1351.027 where: short stacking energy: -578.180 Base-Backbone interact. energy: 1.741 local terms energy: -680.159359 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -160.603 flat angles P-C4'-P energy: -97.969 tors. eta vs tors. theta energy: -163.932 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: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1181.995265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.995265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.995265 (E_RNA) where: Base-Base interactions energy: -678.733 where: short stacking energy: -342.851 Base-Backbone interact. energy: -1.485 local terms energy: -501.776637 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -142.934 flat angles C4'-P-C4' energy: -129.323 flat angles P-C4'-P energy: -94.515 tors. eta vs tors. theta energy: -18.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -801.312515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.312515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.312515 (E_RNA) where: Base-Base interactions energy: -335.358 where: short stacking energy: -215.109 Base-Backbone interact. energy: -4.075 local terms energy: -461.879242 where: bonds (distance) C4'-P energy: -131.722 bonds (distance) P-C4' energy: -146.726 flat angles C4'-P-C4' energy: -118.865 flat angles P-C4'-P energy: -81.810 tors. eta vs tors. theta energy: 17.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -719.558798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.558798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.558798 (E_RNA) where: Base-Base interactions energy: -310.837 where: short stacking energy: -191.088 Base-Backbone interact. energy: 2.223 local terms energy: -410.945491 where: bonds (distance) C4'-P energy: -141.971 bonds (distance) P-C4' energy: -124.668 flat angles C4'-P-C4' energy: -118.055 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: 42.964 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: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2962.826294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.826294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.826294 (E_RNA) where: Base-Base interactions energy: -2053.224 where: short stacking energy: -875.294 Base-Backbone interact. energy: -5.537 local terms energy: -904.064962 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -155.836 flat angles C4'-P-C4' energy: -191.482 flat angles P-C4'-P energy: -133.559 tors. eta vs tors. theta energy: -260.430 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: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2843.072058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.072058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.072058 (E_RNA) where: Base-Base interactions energy: -1971.742 where: short stacking energy: -806.069 Base-Backbone interact. energy: -3.205 local terms energy: -868.125394 where: bonds (distance) C4'-P energy: -166.186 bonds (distance) P-C4' energy: -146.438 flat angles C4'-P-C4' energy: -194.300 flat angles P-C4'-P energy: -114.766 tors. eta vs tors. theta energy: -246.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2740.731339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.731339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.731339 (E_RNA) where: Base-Base interactions energy: -1907.852 where: short stacking energy: -801.756 Base-Backbone interact. energy: -3.220 local terms energy: -829.659439 where: bonds (distance) C4'-P energy: -132.708 bonds (distance) P-C4' energy: -161.463 flat angles C4'-P-C4' energy: -186.737 flat angles P-C4'-P energy: -115.483 tors. eta vs tors. theta energy: -233.268 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: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2577.691434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.691434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.691434 (E_RNA) where: Base-Base interactions energy: -1772.321 where: short stacking energy: -731.583 Base-Backbone interact. energy: -0.612 local terms energy: -804.757700 where: bonds (distance) C4'-P energy: -145.522 bonds (distance) P-C4' energy: -160.281 flat angles C4'-P-C4' energy: -166.729 flat angles P-C4'-P energy: -114.336 tors. eta vs tors. theta energy: -217.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2455.958745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.958745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.958745 (E_RNA) where: Base-Base interactions energy: -1677.210 where: short stacking energy: -731.619 Base-Backbone interact. energy: -2.526 local terms energy: -776.222089 where: bonds (distance) C4'-P energy: -152.991 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -173.712 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -218.120 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: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2183.196161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.196161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.196161 (E_RNA) where: Base-Base interactions energy: -1469.887 where: short stacking energy: -603.500 Base-Backbone interact. energy: -1.457 local terms energy: -711.852352 where: bonds (distance) C4'-P energy: -152.219 bonds (distance) P-C4' energy: -153.411 flat angles C4'-P-C4' energy: -151.637 flat angles P-C4'-P energy: -79.552 tors. eta vs tors. theta energy: -175.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1985.380670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.380670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.380670 (E_RNA) where: Base-Base interactions energy: -1321.086 where: short stacking energy: -561.052 Base-Backbone interact. energy: -0.285 local terms energy: -664.009342 where: bonds (distance) C4'-P energy: -128.164 bonds (distance) P-C4' energy: -151.818 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -95.232 tors. eta vs tors. theta energy: -145.253 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: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1152.839346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.839346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.839346 (E_RNA) where: Base-Base interactions energy: -616.560 where: short stacking energy: -333.969 Base-Backbone interact. energy: -0.769 local terms energy: -535.509954 where: bonds (distance) C4'-P energy: -154.741 bonds (distance) P-C4' energy: -125.453 flat angles C4'-P-C4' energy: -139.720 flat angles P-C4'-P energy: -74.812 tors. eta vs tors. theta energy: -40.784 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: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -784.949733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.949733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.949733 (E_RNA) where: Base-Base interactions energy: -345.740 where: short stacking energy: -222.444 Base-Backbone interact. energy: -1.915 local terms energy: -437.294751 where: bonds (distance) C4'-P energy: -132.040 bonds (distance) P-C4' energy: -155.037 flat angles C4'-P-C4' energy: -109.788 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: 30.776 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: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -719.835518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.835518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.835518 (E_RNA) where: Base-Base interactions energy: -328.369 where: short stacking energy: -191.799 Base-Backbone interact. energy: -0.920 local terms energy: -390.545825 where: bonds (distance) C4'-P energy: -128.881 bonds (distance) P-C4' energy: -111.671 flat angles C4'-P-C4' energy: -113.374 flat angles P-C4'-P energy: -62.057 tors. eta vs tors. theta energy: 25.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2968.108740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.108740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.108740 (E_RNA) where: Base-Base interactions energy: -2036.572 where: short stacking energy: -881.127 Base-Backbone interact. energy: -7.742 local terms energy: -923.794623 where: bonds (distance) C4'-P energy: -175.469 bonds (distance) P-C4' energy: -155.232 flat angles C4'-P-C4' energy: -203.520 flat angles P-C4'-P energy: -129.049 tors. eta vs tors. theta energy: -260.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2875.658004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.658004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.658004 (E_RNA) where: Base-Base interactions energy: -1983.137 where: short stacking energy: -823.021 Base-Backbone interact. energy: -1.847 local terms energy: -890.673766 where: bonds (distance) C4'-P energy: -158.933 bonds (distance) P-C4' energy: -165.649 flat angles C4'-P-C4' energy: -177.611 flat angles P-C4'-P energy: -138.678 tors. eta vs tors. theta energy: -249.804 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: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2770.881942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.881942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.881942 (E_RNA) where: Base-Base interactions energy: -1910.663 where: short stacking energy: -791.600 Base-Backbone interact. energy: -4.380 local terms energy: -855.838732 where: bonds (distance) C4'-P energy: -156.697 bonds (distance) P-C4' energy: -162.706 flat angles C4'-P-C4' energy: -183.395 flat angles P-C4'-P energy: -118.609 tors. eta vs tors. theta energy: -234.431 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: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2545.659834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.659834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.659834 (E_RNA) where: Base-Base interactions energy: -1746.768 where: short stacking energy: -709.369 Base-Backbone interact. energy: -3.003 local terms energy: -795.889265 where: bonds (distance) C4'-P energy: -147.130 bonds (distance) P-C4' energy: -164.495 flat angles C4'-P-C4' energy: -156.640 flat angles P-C4'-P energy: -116.040 tors. eta vs tors. theta energy: -211.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2440.608812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.608812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.608812 (E_RNA) where: Base-Base interactions energy: -1686.792 where: short stacking energy: -718.454 Base-Backbone interact. energy: -0.744 local terms energy: -753.072805 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -140.487 flat angles C4'-P-C4' energy: -168.081 flat angles P-C4'-P energy: -106.683 tors. eta vs tors. theta energy: -204.142 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: 459 Temperature: 1.150000 Total energy: -2253.596278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.596278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.596278 (E_RNA) where: Base-Base interactions energy: -1489.621 where: short stacking energy: -667.784 Base-Backbone interact. energy: -5.571 local terms energy: -758.404670 where: bonds (distance) C4'-P energy: -127.008 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -174.368 flat angles P-C4'-P energy: -106.406 tors. eta vs tors. theta energy: -197.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2032.718389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.718389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.718389 (E_RNA) where: Base-Base interactions energy: -1395.838 where: short stacking energy: -598.020 Base-Backbone interact. energy: -1.501 local terms energy: -635.379343 where: bonds (distance) C4'-P energy: -139.819 bonds (distance) P-C4' energy: -136.128 flat angles C4'-P-C4' energy: -140.863 flat angles P-C4'-P energy: -79.059 tors. eta vs tors. theta energy: -139.510 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: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1149.804994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.804994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.804994 (E_RNA) where: Base-Base interactions energy: -634.434 where: short stacking energy: -338.325 Base-Backbone interact. energy: -0.631 local terms energy: -514.739585 where: bonds (distance) C4'-P energy: -127.489 bonds (distance) P-C4' energy: -153.018 flat angles C4'-P-C4' energy: -132.615 flat angles P-C4'-P energy: -61.175 tors. eta vs tors. theta energy: -40.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -809.254469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.254469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.254469 (E_RNA) where: Base-Base interactions energy: -324.163 where: short stacking energy: -212.212 Base-Backbone interact. energy: 0.276 local terms energy: -485.367090 where: bonds (distance) C4'-P energy: -128.318 bonds (distance) P-C4' energy: -159.139 flat angles C4'-P-C4' energy: -128.683 flat angles P-C4'-P energy: -84.796 tors. eta vs tors. theta energy: 15.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -745.000584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.000584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.000584 (E_RNA) where: Base-Base interactions energy: -324.717 where: short stacking energy: -202.756 Base-Backbone interact. energy: -0.453 local terms energy: -419.830122 where: bonds (distance) C4'-P energy: -122.738 bonds (distance) P-C4' energy: -131.608 flat angles C4'-P-C4' energy: -118.059 flat angles P-C4'-P energy: -62.744 tors. eta vs tors. theta energy: 15.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2937.234144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.234144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.234144 (E_RNA) where: Base-Base interactions energy: -2035.801 where: short stacking energy: -869.142 Base-Backbone interact. energy: -3.980 local terms energy: -897.452488 where: bonds (distance) C4'-P energy: -144.287 bonds (distance) P-C4' energy: -175.709 flat angles C4'-P-C4' energy: -187.618 flat angles P-C4'-P energy: -135.268 tors. eta vs tors. theta energy: -254.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2852.348596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.348596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.348596 (E_RNA) where: Base-Base interactions energy: -1964.902 where: short stacking energy: -856.961 Base-Backbone interact. energy: -2.509 local terms energy: -884.937832 where: bonds (distance) C4'-P energy: -151.923 bonds (distance) P-C4' energy: -148.945 flat angles C4'-P-C4' energy: -199.949 flat angles P-C4'-P energy: -116.986 tors. eta vs tors. theta energy: -267.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2765.444212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.444212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.444212 (E_RNA) where: Base-Base interactions energy: -1919.221 where: short stacking energy: -761.467 Base-Backbone interact. energy: -4.463 local terms energy: -841.759246 where: bonds (distance) C4'-P energy: -145.259 bonds (distance) P-C4' energy: -161.998 flat angles C4'-P-C4' energy: -189.859 flat angles P-C4'-P energy: -125.609 tors. eta vs tors. theta energy: -219.034 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: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2576.732317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.732317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.732317 (E_RNA) where: Base-Base interactions energy: -1768.501 where: short stacking energy: -742.048 Base-Backbone interact. energy: -3.286 local terms energy: -804.945314 where: bonds (distance) C4'-P energy: -145.279 bonds (distance) P-C4' energy: -166.703 flat angles C4'-P-C4' energy: -166.424 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -218.389 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: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2449.577346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.577346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.577346 (E_RNA) where: Base-Base interactions energy: -1653.254 where: short stacking energy: -732.719 Base-Backbone interact. energy: -0.877 local terms energy: -795.445704 where: bonds (distance) C4'-P energy: -155.329 bonds (distance) P-C4' energy: -148.794 flat angles C4'-P-C4' energy: -169.078 flat angles P-C4'-P energy: -107.916 tors. eta vs tors. theta energy: -214.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2212.322464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.322464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.322464 (E_RNA) where: Base-Base interactions energy: -1499.037 where: short stacking energy: -676.210 Base-Backbone interact. energy: 1.983 local terms energy: -715.269366 where: bonds (distance) C4'-P energy: -125.399 bonds (distance) P-C4' energy: -135.979 flat angles C4'-P-C4' energy: -172.614 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -191.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2079.109808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.109808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.109808 (E_RNA) where: Base-Base interactions energy: -1431.720 where: short stacking energy: -606.782 Base-Backbone interact. energy: -1.433 local terms energy: -645.956755 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -121.025 flat angles C4'-P-C4' energy: -153.460 flat angles P-C4'-P energy: -91.473 tors. eta vs tors. theta energy: -150.405 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: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1166.092290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.092290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.092290 (E_RNA) where: Base-Base interactions energy: -655.485 where: short stacking energy: -351.302 Base-Backbone interact. energy: -2.749 local terms energy: -507.858623 where: bonds (distance) C4'-P energy: -122.819 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -121.698 flat angles P-C4'-P energy: -89.570 tors. eta vs tors. theta energy: -38.578 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: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -765.051913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.051913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.051913 (E_RNA) where: Base-Base interactions energy: -299.528 where: short stacking energy: -222.108 Base-Backbone interact. energy: 0.712 local terms energy: -466.236084 where: bonds (distance) C4'-P energy: -137.269 bonds (distance) P-C4' energy: -132.175 flat angles C4'-P-C4' energy: -125.510 flat angles P-C4'-P energy: -61.165 tors. eta vs tors. theta energy: -10.117 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: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -766.574397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.574397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.574397 (E_RNA) where: Base-Base interactions energy: -303.502 where: short stacking energy: -201.918 Base-Backbone interact. energy: -3.186 local terms energy: -459.886468 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -136.420 flat angles C4'-P-C4' energy: -119.529 flat angles P-C4'-P energy: -81.614 tors. eta vs tors. theta energy: 6.933 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) out arg RESULTS//1/Domain2_MIR31HG-9ebf1a27_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE